Diff of the two buildlogs:

--
--- b1/build.log	2024-11-19 14:12:33.960591771 +0000
+++ b2/build.log	2024-11-19 14:55:08.929184342 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Mon Dec 22 07:45:26 -12 2025
-I: pbuilder-time-stamp: 1766432726
+I: Current time: Wed Nov 20 04:13:41 +14 2024
+I: pbuilder-time-stamp: 1732025621
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
 I: copying local configuration
@@ -34,52 +34,84 @@
 dpkg-source: info: applying pg16
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/4117202/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/871424/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink02-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 Nov 19 14:13 /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/871424/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/871424/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]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+  BASH_VERSION='5.2.32(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='unstable'
-  HOME='/root'
-  HOST_ARCH='arm64'
+  DIRSTACK=()
+  DISTRIBUTION=unstable
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=aarch64
+  HOST_ARCH=arm64
   IFS=' 	
   '
-  INVOCATION_ID='8504490e4bbc4d7f9af8ba69fd782870'
-  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='4117202'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=af9cdda5e55f4cbcb3663e332a586700
+  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=871424
   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.fZ2ZwLUa/pbuilderrc_jn7m --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.fZ2ZwLUa/b1 --logfile b1/build.log rdkit_202309.3-7.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.fZ2ZwLUa/pbuilderrc_jdAd --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.fZ2ZwLUa/b2 --logfile b2/build.log rdkit_202309.3-7.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 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux
+  Linux i-capture-the-hostname 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Aug  4  2024 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/4117202/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Aug  4 21:30 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/871424/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -552,7 +584,7 @@
 Get: 358 http://deb.debian.org/debian unstable/main arm64 texlive-latex-recommended all 2024.20241115-1 [8757 kB]
 Get: 359 http://deb.debian.org/debian unstable/main arm64 texlive-pictures all 2024.20241115-1 [17.0 MB]
 Get: 360 http://deb.debian.org/debian unstable/main arm64 texlive-latex-extra all 2024.20241115-1 [24.6 MB]
-Fetched 395 MB in 2s (165 MB/s)
+Fetched 395 MB in 4s (102 MB/s)
 debconf: delaying package configuration, since apt-utils is not installed
 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 ... 20084 files and directories currently installed.)
@@ -1711,8 +1743,8 @@
 Setting up tzdata (2024b-3) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Mon Dec 22 19:46:23 UTC 2025.
-Universal Time is now:  Mon Dec 22 19:46:23 UTC 2025.
+Local time is now:      Tue Nov 19 14:15:31 UTC 2024.
+Universal Time is now:  Tue Nov 19 14:15:31 UTC 2024.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libboost-atomic1.83.0:arm64 (1.83.0-3.2+b1) ...
@@ -1868,11 +1900,6 @@
 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 (1.83.0-3.2+b1) ...
 Setting up x11proto-core-dev (2024.1-1) ...
 Setting up shared-mime-info (2.4-5+b1) ...
@@ -2099,7 +2126,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/rdkit-202309.3/ && 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_202309.3-7_source.changes
+I: user script /srv/workspace/pbuilder/871424/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for unstable
+I: user script /srv/workspace/pbuilder/871424/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/rdkit-202309.3/ && 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_202309.3-7_source.changes
 dpkg-buildpackage: info: source package rdkit
 dpkg-buildpackage: info: source version 202309.3-7
 dpkg-buildpackage: info: source distribution unstable
@@ -2307,8 +2338,8 @@
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
 -- Could NOT find Boost (missing: program_options) (found suitable version "1.83.0", minimum required is "1.58.0")
--- Configuring done (3.8s)
--- Generating done (1.7s)
+-- Configuring done (1.9s)
+-- Generating done (1.1s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -2334,111 +2365,111 @@
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/INCHI-API /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/RingFamilies /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/RingFamilies /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/RDGeneral/types.cpp
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-[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o
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-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
+[  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o
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+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o
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+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
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 /usr/bin/cc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-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.1.2023.09.3 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o  /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libRDKithc.so.1.2023.09.3 ../../../../lib/libRDKithc.so.1 ../../../../lib/libRDKithc.so
-[  3%] Building CXX object External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o
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+[  3%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
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+[  3%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/RDGeneral/versions.cpp
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+[  3%] Linking CXX shared library ../../lib/libRDKitga.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_link_script CMakeFiles/ga.dir/link.txt --verbose=1
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/DependInfo.cmake "--color="
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-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/RDGeneral/testDict.cpp
 [  3%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/BitVect.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
-[  3%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/ExplicitBitVect.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/RDBoost/Wrap.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Utils.cpp
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/BitVect.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/SparseBitVect.cpp
+[  4%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o
+[  4%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
+[  4%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/RDGeneral/catch_dict.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/RDGeneral/testRDValue.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/RDGeneral/testConcurrentQueue.cpp
 make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/base64.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/RDGeneral/testDict.cpp
+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/ExplicitBitVect.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Utils.cpp
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+[  4%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Numerics/testMatrices.cpp
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/base64.cpp
+[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Catalogs/Catalog.cpp
+[  5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/BitOps.cpp
+[  5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/DiscreteDistMat.cpp
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-[  5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
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-[  5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so
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+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
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+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/FPBReader.cpp
+[  6%] Linking CXX executable logTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/logTestsCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [  6%] Built target logTestsCatch
@@ -2587,8 +2616,13 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
 [  6%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Catalogs/CatalogParams.cpp
+[  6%] Linking CXX executable testMatrices
+cd /build/reproducible-path/rdkit-202309.3/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/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Catalogs/CatalogEntry.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[  6%] Built target testMatrices
 make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
@@ -2597,31 +2631,28 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [  6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/DistPicker.cpp
-[  6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/MaxMinPicker.cpp
-[  6%] Linking CXX executable dictTestsCatch
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-[  6%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
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-[  6%] Linking CXX executable testMatCalc
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[  6%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/MultiFPBReader.cpp
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-[  6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/HierarchicalClusterPicker.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[  6%] Built target Catalogs
+[  6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/MaxMinPicker.cpp
+[  6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/HierarchicalClusterPicker.cpp
+[  6%] Linking CXX executable testMatCalc
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [  6%] Built target testMatCalc
+[  6%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDBoost.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/RDBoost.dir/Wrap.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[  6%] Built target Catalogs
 [  6%] 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-202309.3/obj-aarch64-linux-gnu'
@@ -2639,192 +2670,366 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/RDBoost/Wrap/RDBase.cpp
 [  8%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ML/Cluster/Murtagh/Clustering.cpp
-[  8%] Linking CXX executable testMatrices
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[  8%] Linking CXX executable dictTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[  8%] Built target dictTestsCatch
+[  9%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[  9%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/SimDivPickers/testPickers.cpp
+[  9%] Linking CXX executable testQuery
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[  8%] Built target testMatrices
-[  8%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
+[  9%] Built target testQuery
+[  9%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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  ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[  8%] Built target DataStructs
+[  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-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/CMakeFiles/testMultiFPB.dir/DependInfo.cmake "--color="
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 10%] Linking CXX executable testRDValue
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
-[ 10%] Built target testQuery
-make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
+[ 10%] Built target testRDValue
+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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake "--color="
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-make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build
+make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Built target SimDivPickers
-make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/depend
+[ 10%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/DataStructs.cpp
+[ 10%] Linking CXX executable testDict
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDict.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 10%] Built target testDict
+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-202309.3/obj-aarch64-linux-gnu'
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-[ 10%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ML/InfoTheory/InfoBitRanker.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake "--color="
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-make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build
+make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build
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-[ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/SimDivPickers/testPickers.cpp
-[ 10%] Linking CXX executable testRDValue
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 10%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
+[ 11%] Linking CXX executable testSimDivPickers
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Linking CXX executable testDict
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-[ 10%] Built target testRDValue
+[ 11%] Built target testSimDivPickers
 make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
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 make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
+[ 11%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/SimDivPickers/catch_tests.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Geometry/GridUtils.cpp
+[ 11%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Built target testDict
+[ 11%] Built target Clustering
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
+[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
-[ 10%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 10%] Built target Clustering
-[ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
+[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/Wrap/LeaderPicker.cpp
-[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Geometry/Transform2D.cpp
-[ 11%] Linking CXX executable testSimDivPickers
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 11%] Built target testSimDivPickers
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-[ 11%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
+[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
+[ 12%] Linking CXX executable pickersTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 12%] Built target pickersTestsCatch
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
+[ 12%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+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-202309.3/obj-aarch64-linux-gnu'
+[ 12%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 13%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Geometry/catch_tests.cpp
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/Point.cpp.o -MF CMakeFiles/rdGeometry.dir/Point.cpp.o.d -o CMakeFiles/rdGeometry.dir/Point.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/Point.cpp
+[ 14%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Built target Alignment
+make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testConrec.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Numerics/testConrec.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Numerics/Alignment/testAlignment.cpp
+[ 14%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 11%] Built target InfoTheory
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
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+[ 14%] Linking CXX executable testDataStructs
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Built target testDataStructs
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
-[ 11%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
+[ 14%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
-[ 11%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
-[ 11%] Linking CXX executable testFPB
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 11%] Built target rdMetricMatrixCalc
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 14%] Linking CXX executable testGrid
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
+[ 14%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Built target testGrid
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 11%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
-[ 11%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
+[ 14%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ML/Data/cQuantize.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Built target rdSimDivPickers
+make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake "--color="
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+[ 14%] Linking CXX executable testTransforms
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 14%] Built target testTransforms
+[ 14%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
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-[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Geometry/Transform3D.cpp
-[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/DiscreteValueVect.cpp
-[ 13%] Linking CXX executable pickersTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
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+[ 14%] Linking CXX executable geometryTestsCatch
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 13%] Built target pickersTestsCatch
-[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
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+[ 14%] Linking CXX executable testAlignment
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
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-[ 13%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
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-[ 13%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
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+[ 15%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 15%] Linking CXX executable testChemicalFeatures
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 15%] Built target testChemicalFeatures
+[ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
+[ 15%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
+[ 16%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 16%] Built target rdAlignment
+[ 16%] Built target cQuantize
+[ 16%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_FPB.cpp
+[ 16%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_BitOps.cpp
+[ 16%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_Utils.cpp
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/QueryBond.cpp
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Bond.cpp
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect<int>]':
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16:   required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]'
   190 |     python::def("BulkDiceSimilarity", &BulkDice<SparseIntVect<IndexType>>,
@@ -2846,7 +3051,6 @@
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract<RDKit::SparseIntVect<int> >(boost::python::api::proxy<Policies>::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract<RDKit::SparseIntVect<int> >::boost::python::converter::extract_rvalue<RDKit::SparseIntVect<int> >.boost::python::converter::extract_rvalue<RDKit::SparseIntVect<int> >::operator()()'
    77 |     const T &siv2 = python::extract<T>(sivs[i])();
       |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect<int>]':
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16:   required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]'
   200 |     python::def("BulkTanimotoSimilarity",
@@ -2870,7 +3074,6 @@
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract<RDKit::SparseIntVect<int> >(boost::python::api::proxy<Policies>::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract<RDKit::SparseIntVect<int> >::boost::python::converter::extract_rvalue<RDKit::SparseIntVect<int> >.boost::python::converter::extract_rvalue<RDKit::SparseIntVect<int> >::operator()()'
    90 |     const T &siv2 = python::extract<T>(sivs[i])();
       |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_SparseBV.cpp
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect<int>]':
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:211:16:   required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]'
   211 |     python::def("BulkTverskySimilarity", &BulkTversky<SparseIntVect<IndexType>>,
@@ -3087,197 +3290,36 @@
 /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract<RDKit::SparseIntVect<long unsigned int> >(boost::python::api::proxy<Policies>::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract<RDKit::SparseIntVect<long unsigned int> >::boost::python::converter::extract_rvalue<RDKit::SparseIntVect<long unsigned int> >.boost::python::converter::extract_rvalue<RDKit::SparseIntVect<long unsigned int> >::operator()()'
   104 |     const T &siv2 = python::extract<T>(sivs[i])();
       |                     ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DataStructs/Wrap/wrap_BitOps.cpp
-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
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-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
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-[ 14%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/Atom.cpp.o -MF CMakeFiles/GraphMol.dir/Atom.cpp.o.d -o CMakeFiles/GraphMol.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Atom.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdSimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o  ../../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKithc.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 16%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Geometry/testGrid.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Geometry/Wrap/rdGeometry.cpp
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+[ 17%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Geometry/Wrap/rdGeometry.cpp
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+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp:1348:36: warning: unused parameter 'mol' [-Wunused-parameter]
+ 1348 | void findRingFamilies(const ROMol &mol) {
+      |                       ~~~~~~~~~~~~~^~~
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+[ 18%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/rdGeometry.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 18%] Built target testChemicalFeatures
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 [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
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+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/QueryOps.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,
@@ -3290,45 +3332,29 @@
 /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)
       |     ^~~~~~~~~
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-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp:1348:36: warning: unused parameter 'mol' [-Wunused-parameter]
- 1348 | void findRingFamilies(const ROMol &mol) {
-      |                       ~~~~~~~~~~~~~^~~
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/QueryOps.cpp
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+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.cpp: In function 'void RDKit::streamReadPositiveChar(std::istream&, char&, int)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.cpp:72:11: warning: comparison is always false due to limited range of data type [-Wtype-limits]
+   72 |   if (res < 0) {
+      |       ~~~~^~~
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+[ 19%] Linking CXX shared module ../../../rdkit/rdBase.so
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-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.cpp:72:11: warning: comparison is always false due to limited range of data type [-Wtype-limits]
-   72 |   if (res < 0) {
-      |       ~~~~^~~
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 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
@@ -3337,8 +3363,13 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Chirality.cpp
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RingInfo.cpp
+[ 19%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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/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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 19%] Built target cDataStructs
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Renumber.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
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-make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolTransforms/MolTransforms.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/SmilesParse.cpp
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+make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build
+make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/GenericGroups/GenericGroups.cpp
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-make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend
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+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/SmilesParse.cpp
+[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/GenericGroups/GenericGroups.cpp
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-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Subgraphs/Subgraphs.cpp
+[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
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+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build
+[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
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-[ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
-[ 21%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 21%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
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+[ 22%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/DependInfo.cmake "--color="
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+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-202309.3/obj-aarch64-linux-gnu'
-[ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp
-[ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
-[ 22%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
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-[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
+[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolInterchange/Parser.cpp
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
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-make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build
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-[ 22%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Numerics/Optimizer/BFGSOpt.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
+[ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/SLNParse.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 22%] Built target MolCatalog
-make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
+[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
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+[ 22%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Trajectory.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/smarts.tab.cpp
+[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
-[ 22%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 22%] Built target MolTransforms
-make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend
+[ 23%] Built target MolTransforms
+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-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 23%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
-[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/SmartsWrite.cpp
+[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/Numerics/Optimizer/BFGSOpt.cpp
+[ 23%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
+make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build
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-[ 24%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
+[ 23%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/smiles.tab.cpp
+[ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
+[ 23%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/SLNAttribs.cpp
-[ 24%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
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+[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 23%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Queries.cpp
+[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 24%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolInterchange/Writer.cpp
-[ 25%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
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+[ 24%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/rdTrajectory.cpp
+[ 25%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 25%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
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-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
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-[ 26%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
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-[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
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-[ 27%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/sln.tab.cpp
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+[ 26%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 26%] 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-202309.3/obj-aarch64-linux-gnu'
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+[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/SLNAttribs.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Numerics/Optimizer/testOptimizer.cpp
-[ 27%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
+[ 27%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Node.cpp
+[ 28%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
-[ 27%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
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-make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 27%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/ForceField.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 27%] Built target rdqueries
-[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/UFF/AngleBend.cpp
-[ 28%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
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-[ 28%] Built target rdMolCatalog
-[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/UFF/BondStretch.cpp
-[ 28%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
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-[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o
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-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
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-[ 29%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Substruct/SubstructUtils.cpp
-[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.cpp
-[ 29%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 29%] Built target MolInterchange
-make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
+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-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
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+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-202309.3/obj-aarch64-linux-gnu'
-[ 29%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
-[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
+[ 28%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Substruct/SubstructMatch.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Sort.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/UFF/Params.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/AngleBend.cpp
-[ 30%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
+[ 28%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolInterchange/Writer.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
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-[ 30%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
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-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
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-[ 30%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
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-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/Nonbonded.cpp
-/build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair<double, double> ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)':
-/build/reproducible-path/rdkit-202309.3/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) {
-      |                                   ^
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.cpp
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-[ 31%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
-[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 33%] Built target SLNParse
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 33%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
-[ 33%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
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-[ 33%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
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-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
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-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
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-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
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-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 34%] Linking CXX shared library ../../lib/libRDKitForceField.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/ForceField.dir/ForceField.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/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/Params.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/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 34%] Built target ForceField
-[ 34%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 34%] Built target rdSLNParse
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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/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.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 34%] Built target CIPLabeler
-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
+[ 28%] Built target ShapeHelpers
+make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
-[ 34%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
+[ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/Numerics/Optimizer/testOptimizer.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
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-[ 34%] Built target SmilesParse
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+[ 28%] Built target SmilesParse
+make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ForceField /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
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+[ 28%] Linking CXX executable testOptimizer
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 28%] Built target testOptimizer
 make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 28%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/cptest.cpp
+[ 28%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
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+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
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+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/UFF/AngleBend.cpp
+[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 29%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
+[ 29%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 29%] Built target rdMolTransforms
+make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
+[ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/itertest.cpp
+[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+[ 31%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1
+[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
+[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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+[ 31%] Built target rdqueries
+make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
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-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
-[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
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-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/cptest.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/memtest1.cpp
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-[ 36%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
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-/build/reproducible-path/rdkit-202309.3/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-202309.3/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);
-      |                                                                    ^
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/catch_queries.cpp
-[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 32%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/UFF/BondStretch.cpp
+[ 33%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 34%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
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-[ 36%] Built target graphmolIterTest
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-[ 36%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/catch_molbundle.cpp
-[ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
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-[ 36%] Built target rdCIPLabeler
+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 34%] Built target graphmolMemTest1
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake "--color="
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 make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build
+[ 34%] Linking CXX executable graphmolIterTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
+[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Subgraphs/test2.cpp
-[ 38%] Linking CXX executable smiTest2
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Built target smiTest2
+[ 34%] Built target graphmolIterTest
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-[ 38%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
+[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Subgraphs/catch_tests.cpp
-[ 38%] Linking CXX executable queryTestsCatch
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-[ 38%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
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-[ 38%] Built target queryTestsCatch
-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
+make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build
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+[ 34%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/PartialCharges/test1.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
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-[ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+[ 34%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
+[ 34%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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/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.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Built target MolAlign
-make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
+[ 34%] Built target CIPLabeler
+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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
+[ 34%] Linking CXX executable queryTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
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-make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/PartialCharges/test1.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
-[ 38%] Linking CXX executable molbundleTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
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+[ 34%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 38%] Built target molbundleTestsCatch
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
+[ 34%] Built target queryTestsCatch
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
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-[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
-[ 38%] Linking CXX executable graphmolqueryTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
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+[ 34%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
+[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
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+[ 34%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Built target graphmolqueryTest
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
+[ 34%] Built target MolInterchange
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
-[ 38%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
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-[ 38%] Linking CXX executable testSubgraphs2
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-[ 38%] Linking CXX executable testSubgraphs1
+[ 34%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
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+[ 34%] Linking CXX executable smiTest2
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 34%] Built target smiTest2
+[ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
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+[ 35%] Linking CXX executable testPartialCharges
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 35%] Built target testPartialCharges
+[ 35%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o
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+[ 36%] Linking CXX executable subgraphsCatch
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 36%] Linking CXX executable molbundleTestsCatch
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 36%] Built target testSubgraphs1
+[ 36%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o
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+[ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
+[ 36%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 36%] Built target molbundleTestsCatch
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 37%] Built target rdSLNParse
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
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+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
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+[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 37%] Built target rdCIPLabeler
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/StretchBend.cpp
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/OopBend.cpp
+[ 37%] Linking CXX executable testSubgraphs2
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-[ 38%] Built target ForceFieldHelpers
+[ 37%] Built target testSubgraphs2
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/TorsionAngle.cpp
+[ 37%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 38%] Built target testSubgraphs2
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color="
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-[ 38%] Built target testSubgraphs1
+[ 37%] 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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
+[ 37%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolAlign/AlignMolecules.cpp
+[ 37%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build
+[ 37%] Built target rdShapeHelpers
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.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-202309.3/obj-aarch64-linux-gnu'
+[ 37%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/querytest.cpp
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/Nonbonded.cpp
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/DistanceConstraint.cpp
+/build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair<double, double> ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)':
+/build/reproducible-path/rdkit-202309.3/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) {
+      |                                   ^
+[ 37%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.cpp
+[ 38%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionConstraint.cpp
+[ 38%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.cpp
+[ 38%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/MMFF/Params.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 38%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/catch_moliterators.cpp
+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-202309.3/obj-aarch64-linux-gnu'
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-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
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-[ 40%] Linking CXX executable testPartialCharges
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+[ 39%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
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+[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
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-[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
+[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/AtomPairs.cpp
-[ 41%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
-[ 41%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1
-[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
+[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/MACCS.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
+[ 39%] Linking CXX executable moliteratorTestsCatch
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+[ 39%] Built target moliteratorTestsCatch
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
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-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
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-[ 41%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
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-[ 41%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
+[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+[ 39%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp
-[ 41%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
-[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/TriangleSmooth.cpp
-[ 42%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/MHFP.cpp
-[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
-[ 43%] Linking CXX executable smaTest1
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+[ 40%] Linking CXX shared library ../../lib/libRDKitForceField.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
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+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
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-[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
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-[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
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-[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
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-[ 43%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
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+[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
+[ 40%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 43%] Built target rdCoordGen
-make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
-[ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
-[ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/ChiralViolationContrib.cpp
-[ 43%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
-[ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
+[ 40%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
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+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+[ 40%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
+[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
+[ 40%] Linking CXX executable graphmolqueryTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 43%] Built target Abbreviations
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+[ 40%] Built target graphmolqueryTest
+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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ReducedGraphs/test1.cpp
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::UFFConfsHelper(ROMol&, int, int, double, bool)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: warning: redundant move in return statement [-Wredundant-move]
-   49 |   return std::move(pyres);
-      |          ~~~~~~~~~^~~~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: note: remove 'std::move' call
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::MMFFConfsHelper(ROMol&, int, int, std::string, double, bool)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: warning: redundant move in return statement [-Wredundant-move]
-   66 |   return std::move(pyres);
-      |          ~~~~~~~~~^~~~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: note: remove 'std::move' call
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::FFConfsHelper(ROMol&, ForceFields::PyForceField&, int, int)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: warning: redundant move in return statement [-Wredundant-move]
-   86 |   return std::move(pyres);
-      |          ~~~~~~~~~^~~~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: note: remove 'std::move' call
-[ 44%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
+[ 41%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SLNParse/test.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
+[ 42%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
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+[ 42%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
+[ 42%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
+[ 42%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2023.09.3 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
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-[ 44%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
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-[ 44%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
+[ 42%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragCatParams.cpp
-[ 44%] Linking CXX executable testSLNParse
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+[ 43%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 44%] Built target testSLNParse
-make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+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-202309.3/obj-aarch64-linux-gnu'
-[ 44%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
-[ 44%] Linking CXX executable testReducedGraphs
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+[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
+[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
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+[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
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+[ 43%] Linking CXX executable smaTest1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
-[ 44%] Built target testReducedGraphs
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/CoordGen/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 44%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 43%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/External/CoordGen/Wrap/rdCoordGen.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
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-[ 44%] Built target rdForceField
-make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
+[ 43%] Built target Abbreviations
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
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-make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 44%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/DistGeom/testDistGeom.cpp
-[ 44%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
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-[ 44%] Built target MolChemicalFeatures
-make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
+[ 43%] Built target MolChemicalFeatures
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
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-[ 44%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/Wrap/DistGeom.cpp
-[ 44%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.cpp
-[ 45%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
-[ 45%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 45%] Built target O3AAlign
+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-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
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-[ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
+[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
-[ 45%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
-[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 45%] Built target rdForceFieldHelpers
-[ 45%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
-[ 45%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
-[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 46%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
-[ 46%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
-[ 46%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Depictor/Templates.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp: In function 'boost::python::api::object RDKit::GetAtomMatch(boost::python::api::object, int)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: warning: redundant move in return statement [-Wredundant-move]
-   45 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: note: remove 'std::move' call
-[ 46%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 43%] Built target FragCatalog
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 46%] Built target rdAbbreviations
+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-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ReducedGraphs/test1.cpp
+[ 43%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 46%] Built target FilterCatalog
+[ 43%] Built target FilterCatalog
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitPathsHelper(const RDKit::AdditionalOutput&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: warning: redundant move in return statement [-Wredundant-move]
+  452 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: note: remove 'std::move' call
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitInfoMapHelper(const RDKit::AdditionalOutput&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: warning: redundant move in return statement [-Wredundant-move]
+  467 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: note: remove 'std::move' call
+[ 43%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Depictor/Templates.cpp
+[ 43%] Linking CXX executable testReducedGraphs
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Built target testReducedGraphs
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
+[ 43%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
+[ 43%] Linking CXX executable testSLNParse
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Built target testSLNParse
 make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 46%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
+[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
-[ 46%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
+[ 43%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 43%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 43%] Built target rdCoordGen
+[ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
+/build/reproducible-path/rdkit-202309.3/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-202309.3/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);
+      |                                                                    ^
+[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 46%] Built target rdMolChemicalFeatures
-[ 46%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
+[ 43%] Built target rdReducedGraphs
+[ 44%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
+[ 44%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
+[ 44%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 44%] Built target Depictor
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/External/INCHI-API/inchi.cpp
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/External/INCHI-API/inchi.cpp
-[ 47%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
-[ 47%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
+[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target Fingerprints
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
+[ 45%] Built target rdMHFPFingerprint
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp: In function 'boost::python::api::object RDKit::GetAtomMatch(boost::python::api::object, int)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: warning: redundant move in return statement [-Wredundant-move]
+   45 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: note: remove 'std::move' call
+[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Built target rdMolChemicalFeatures
+[ 45%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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  ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Built target ForceFieldHelpers
+make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
+make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-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-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
-[ 47%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
-[ 47%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/DistGeomHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target DistGeomHelpers
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitPathsHelper(const RDKit::AdditionalOutput&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: warning: redundant move in return statement [-Wredundant-move]
-  452 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: note: remove 'std::move' call
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitInfoMapHelper(const RDKit::AdditionalOutput&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: warning: redundant move in return statement [-Wredundant-move]
-  467 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: note: remove 'std::move' call
-[ 47%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/ForceField/Wrap/ForceField.cpp
+[ 45%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
+[ 45%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/DistGeomUtils.cpp
+[ 45%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
+[ 45%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/TriangleSmooth.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
+[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
+[ 45%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/RDInchiLib.dir/inchi.cpp.o  /usr/lib/aarch64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2023.09.3 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
+[ 45%] Built target rdAbbreviations
+[ 45%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/DistViolationContrib.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target RDInchiLib
+[ 45%] 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
+[ 45%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/External/INCHI-API/Wrap/pyInchi.cpp
-[ 47%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
+[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 45%] Built target rdFingerprintGenerator
+[ 45%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/ChiralViolationContrib.cpp
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::UFFConfsHelper(ROMol&, int, int, double, bool)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: warning: redundant move in return statement [-Wredundant-move]
+   49 |   return std::move(pyres);
+      |          ~~~~~~~~~^~~~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: note: remove 'std::move' call
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::MMFFConfsHelper(ROMol&, int, int, std::string, double, bool)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: warning: redundant move in return statement [-Wredundant-move]
+   66 |   return std::move(pyres);
+      |          ~~~~~~~~~^~~~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: note: remove 'std::move' call
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::FFConfsHelper(ROMol&, ForceFields::PyForceField&, int, int)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: warning: redundant move in return statement [-Wredundant-move]
+   86 |   return std::move(pyres);
+      |          ~~~~~~~~~^~~~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: note: remove 'std::move' call
+[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target rdDepictor
-[ 47%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
+[ 45%] Built target rdDepictor
+[ 46%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 46%] 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-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 46%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
+[ 46%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -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-202309.3/Code/DistGeom/Wrap/DistGeom.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/DistGeom/testDistGeom.cpp
+[ 46%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
+[ 46%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
+[ 46%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.cpp
+[ 46%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 46%] Built target rdinchi
+[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 46%] Built target rdForceFieldHelpers
+[ 46%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o  ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target ChemTransforms
+[ 46%] Built target ChemTransforms
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/Mol2FileParser.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
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+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/Mol2FileParser.cpp
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/MolFileParser.cpp
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
+[ 46%] Linking CXX executable testDistGeom
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 46%] Built target testDistGeom
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/MolFileWriter.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
+[ 46%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 46%] Built target O3AAlign
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/MolFileStereochem.cpp
-[ 47%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 47%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 47%] Built target DistGeom
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/MolFileWriter.cpp
+[ 47%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 47%] Built target rdinchi
+[ 47%] Built target rdForceField
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/SDMolSupplier.cpp
-[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 48%] Built target rdMHFPFingerprint
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/SDWriter.cpp
+[ 48%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/DistGeomHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 48%] Built target DistGeomHelpers
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/SmilesWriter.cpp
-[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 48%] Built target rdFingerprintGenerator
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
@@ -4558,6 +4589,11 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TplFileWriter.cpp
 [ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/PDBParser.cpp.o -MF CMakeFiles/FileParsers.dir/PDBParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PDBParser.cpp
+[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 48%] Built target rdfiltercatalog
 [ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/PDBWriter.cpp.o -MF CMakeFiles/FileParsers.dir/PDBWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PDBWriter.cpp
 [ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o
@@ -4580,11 +4616,6 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/SequenceWriters.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceWriters.cpp
 [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/SVGParser.cpp.o -MF CMakeFiles/FileParsers.dir/SVGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SVGParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SVGParser.cpp
-[ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 50%] Built target rdfiltercatalog
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/PNGParser.cpp.o -MF CMakeFiles/FileParsers.dir/PNGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PNGParser.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_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-202309.3/External/CoordGen/test.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/Crippen.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/BCUT.cpp
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+[ 50%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/MolDescriptors.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/ForceField/UFF/testUFFForceField.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_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-202309.3/External/CoordGen/test.cpp
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+[ 50%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolSurf.cpp
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-[ 50%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/Crippen.cpp
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/BCUT.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/test1.cpp
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/molopstest.cpp
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
+[ 50%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/Lipinski.cpp
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-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/testPicklerGlobalSettings.cpp
 [ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
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-[ 51%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
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+[ 51%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
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 /build/reproducible-path/rdkit-202309.3/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-202309.3/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) {
       |                                                                       ^
-[ 51%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 52%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
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 [ 52%] Linking CXX executable testUFFForceField
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@@ -4702,109 +4748,101 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 52%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
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-[ 52%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
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-[ 52%] Linking CXX executable testCoordGen
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/PBF.cpp
+[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/PMI.cpp
+[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
+[ 53%] Linking CXX executable graphmolTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
+[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/RDF.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
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+[ 53%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
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-[ 52%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
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-[ 52%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
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-[ 52%] Linking CXX executable graphmoltestPicklerGlobalSetting
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-[ 52%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
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+[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
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+[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
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+[ 53%] Linking CXX executable hanoiTest
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+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
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-[ 52%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
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-[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
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-[ 53%] Linking CXX executable testMMFFForceField
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 53%] Linking CXX executable graphmoltestChirality
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 53%] Built target testMMFFForceField
+[ 53%] Linking CXX executable graphmoltestPickler
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
+[ 53%] Built target graphmoltestChirality
 make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
@@ -4813,10 +4851,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/catch_adjustquery.cpp
-[ 53%] Linking CXX executable graphmoltestPickler
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
-[ 53%] Linking CXX executable graphmoltestChirality
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 53%] Built target graphmoltestPickler
@@ -4826,63 +4860,62 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_chirality.cpp
-[ 53%] Built target graphmoltestChirality
+[ 53%] Linking CXX executable molBundleTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
+[ 53%] Linking CXX executable resMolSupplierTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 53%] Built target molBundleTest
 make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build
+[ 53%] Built target resMolSupplierTest
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 53%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_canon.cpp
-[ 53%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Descriptors/RDF.cpp
-[ 53%] Linking CXX executable graphmolOrganometallicsCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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+[ 53%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_canon.cpp
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-[ 54%] Linking CXX executable graphmolSGroupCatch
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-[ 54%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
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+[ 53%] Linking CXX executable graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 53%] Built target graphmolOrganometallicsCatch
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 54%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
+[ 53%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
+[ 54%] Linking CXX executable graphmolSGroupCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
+[ 54%] Linking CXX executable pickleTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 54%] Built target graphmolSGroupCatch
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
@@ -4891,8 +4924,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 54%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SmilesParse/catch_tests.cpp
-[ 54%] Linking CXX executable pickleTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 54%] Built target pickleTestsCatch
@@ -4928,13 +4959,13 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 55%] Linking CXX executable testSGroup
 [ 55%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Depictor/catch_tests.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testSGroup.dir/link.d CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable nontetrahedralCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 55%] Built target testSGroup
+[ 55%] Built target nontetrahedralCatch
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake "--color="
@@ -4943,37 +4974,32 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/test1.cpp
-[ 55%] Linking CXX executable nontetrahedralCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 55%] Linking CXX executable testSGroup
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testSGroup.dir/link.d CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup  ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 55%] 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color="
+[ 55%] Built target testSGroup
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testMolSupplier.cpp
+[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
 [ 55%] Linking CXX executable cxsmilesTest
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
-[ 55%] Linking CXX executable graphmolTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
@@ -4982,11 +5008,12 @@
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -MF CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o.d -o CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp
-[ 56%] Linking CXX executable testDepictor
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 56%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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/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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 56%] Built target testDepictor
+[ 56%] Built target Descriptors
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
@@ -4995,6 +5022,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testMolWriter.cpp
+[ 56%] Linking CXX executable testDepictor
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 56%] Built target testDepictor
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
@@ -5003,11 +5035,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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/testTplParser.dir/testTpls.cpp.o -MF CMakeFiles/testTplParser.dir/testTpls.cpp.o.d -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testTpls.cpp
-[ 56%] Linking CXX executable testGeneralFileReader
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
+[ 56%] Linking CXX executable testMultithreadedMolSupplier
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 56%] Built target testGeneralFileReader
+[ 56%] Built target testMultithreadedMolSupplier
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color="
@@ -5016,12 +5048,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testMol2ToMol.cpp
-[ 57%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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/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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
+[ 57%] Linking CXX executable testGeneralFileReader
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target Descriptors
+[ 57%] Built target testGeneralFileReader
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color="
@@ -5030,11 +5061,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testSequence.cpp
-[ 57%] Linking CXX executable testMultithreadedMolSupplier
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
+[ 57%] Linking CXX executable testMol2ToMol
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target testMultithreadedMolSupplier
+[ 57%] Built target testMol2ToMol
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color="
@@ -5043,37 +5074,37 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp
+[ 57%] Linking CXX executable graphmolTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
+[ 57%] Linking CXX executable testSequence
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
 [ 57%] Linking CXX executable testTplParser
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target testTplParser
+[ 57%] Built target testSequence
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/file_parsers_catch.cpp
-[ 57%] Linking CXX executable chiralityTestsCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target chiralityTestsCatch
+[ 57%] Built target testTplParser
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/file_parsers_catch.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 57%] Linking CXX executable testMol2ToMol
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target testMol2ToMol
+[ 57%] Built target graphmolTestsCatch
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@@ -5082,97 +5113,84 @@
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-[ 57%] Linking CXX executable testSequence
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
-[ 57%] Linking CXX executable depictorCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
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+[ 57%] Linking CXX executable graphmolMolOpsTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 57%] Built target testSequence
+[ 57%] Built target graphmolMolOpsTest
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-[ 58%] Linking CXX executable testMolSupplier
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-[ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
+[ 57%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 57%] Linking CXX executable smiTest1
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp
+[ 57%] Linking CXX executable testExtendedStereoParsing
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 57%] Built target testExtendedStereoParsing
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-[ 59%] Linking CXX executable testExtendedStereoParsing
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+[ 58%] Linking CXX executable depictorCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 59%] Built target testExtendedStereoParsing
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-[ 59%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
+[ 58%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Substruct/test1.cpp
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+[ 58%] Linking CXX executable XYZFileParserCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
+[ 58%] Linking CXX executable chiralityTestsCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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-[ 59%] Built target smiTestCatch
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-[ 59%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o
+[ 58%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o
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-[ 59%] Linking CXX executable graphmolMolOpsTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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-[ 59%] Linking CXX executable smiTest1
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-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/test1.cpp: In function 'void testMostSubstitutedCoreMatch()':
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/test1.cpp:1903:41: warning: possibly dangling reference to a temporary [-Wdangling-reference]
  1903 |         std::make_pair(phenyl.get(), 3u)}) {
@@ -5204,6 +5222,19 @@
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/test1.cpp:1903:23: note: the temporary was destroyed at the end of the full expression 'std::make_pair<RDKit::RWMol*, unsigned int>(phenyl.std::unique_ptr<RDKit::RWMol>::get(), 3)'
  1903 |         std::make_pair(phenyl.get(), 3u)}) {
       |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
+[ 59%] Linking CXX executable testMolSupplier
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 59%] Built target testMolSupplier
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 59%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
 [ 59%] Linking CXX executable connectTheDotsTest
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
@@ -5217,11 +5248,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemTransforms/catch_tests.cpp
-[ 59%] Linking CXX executable XYZFileParserCatchTest
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 59%] Linking CXX executable testMolWriter
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 59%] Built target XYZFileParserCatchTest
+[ 59%] Built target testMolWriter
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/DependInfo.cmake "--color="
@@ -5230,11 +5261,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp
-[ 60%] Linking CXX executable testMolWriter
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 60%] Linking CXX executable smiTestCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 60%] Built target testMolWriter
+[ 60%] Built target smiTestCatch
 make  -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/DependInfo.cmake "--color="
@@ -5260,6 +5291,8 @@
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 60%] Linking CXX executable testPropertyLists
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
 [ 60%] Built target cdxmlParserCatchTest
 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-202309.3/obj-aarch64-linux-gnu'
@@ -5269,10 +5302,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/test.cpp
-[ 60%] Linking CXX executable testPropertyLists
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
-[ 60%] Linking CXX executable substructTestCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 60%] Built target testPropertyLists
@@ -5284,9 +5313,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 60%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+[ 60%] Linking CXX executable testGenericGroups
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 60%] Built target substructTestCatch
+[ 60%] Built target testGenericGroups
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
@@ -5295,52 +5328,50 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/testATF.cpp
-[ 60%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
-[ 60%] Linking CXX executable testGenericGroups
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
-[ 60%] Linking CXX executable filterCatalogTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
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+[ 61%] Linking CXX executable testFragCatalog
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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-[ 60%] Built target testGenericGroups
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+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
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+[ 61%] Linking CXX executable filterCatalogTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 61%] Linking CXX executable testAUTOCORR2D
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testFragCatalog
+[ 61%] Built target testAUTOCORR2D
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/DependInfo.cmake "--color="
@@ -5351,8 +5382,6 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/testRDFcustom.cpp
 [ 61%] Linking CXX executable testSubstructMatch
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
-[ 61%] Linking CXX executable testAUTOCORR2D
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 61%] Built target testSubstructMatch
@@ -5364,9 +5393,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/testRDF.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 61%] Linking CXX executable testATF
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testAUTOCORR2D
+[ 61%] Built target testATF
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/DependInfo.cmake "--color="
@@ -5375,11 +5406,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Descriptors/testMORSE.cpp
-[ 61%] Linking CXX executable testBCUT
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 61%] Linking CXX executable testPBF
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 61%] Built target testPBF
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/DependInfo.cmake "--color="
@@ -5388,24 +5419,28 @@
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-[ 61%] Linking CXX executable testEEM
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+[ 61%] Linking CXX executable testBCUT
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
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+[ 61%] Linking CXX executable chemTransformsTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
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-[ 61%] Built target fileParsersTest1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testChemTransforms
+[ 61%] Built target chemTransformsTestCatch
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/DependInfo.cmake "--color="
@@ -5427,11 +5460,11 @@
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+[ 61%] Linking CXX executable testRDF
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testRDFcustom
+[ 61%] Built target testGETAWAY
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/DependInfo.cmake "--color="
@@ -5495,23 +5524,27 @@
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
+[ 61%] Linking CXX executable testWHIM
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
+[ 61%] Linking CXX executable testCoulombMat
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
+[ 61%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testGETAWAY
+[ 61%] Built target testWHIM
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 61%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
-[ 61%] Linking CXX executable testWHIM
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 61%] Built target testWHIM
+[ 61%] Built target testCoulombMat
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/DependInfo.cmake "--color="
@@ -5528,47 +5561,45 @@
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
 [ 62%] Linking CXX executable testAUTOCORR3D
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 62%] Built target testAUTOCORR3D
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend
 [ 62%] Built target test3D
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 62%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
+[ 62%] Linking CXX executable testDescriptors
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
+[ 62%] Linking CXX executable fileParsersTest1
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 62%] Built target testAUTOCORR3D
+make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color="
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-[ 62%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 62%] Built target testCoulombMat
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 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
-[ 62%] Linking CXX executable testDescriptors
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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@@ -5578,8 +5609,8 @@
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
-[ 62%] Linking CXX executable testMHFPFingerprint
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+[ 62%] Linking CXX executable fileParsersCatchTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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+[ 62%] Linking CXX executable testMHFPFingerprint
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
+[ 63%] Linking CXX executable descriptorsTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1
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+[ 63%] Built target testMHFPFingerprint
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-[ 62%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
+[ 63%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp
-[ 62%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
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-[ 63%] Linking CXX executable descriptorsTestCatch
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 63%] Linking CXX executable testMolTransforms
+[ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
+[ 64%] Linking CXX executable testMolTransforms
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 63%] Built target testMolTransforms
+[ 64%] Built target testMolTransforms
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+[ 65%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
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-[ 63%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
+[ 65%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
-[ 63%] Linking CXX executable testCrystalForceField
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 63%] Built target testCrystalForceField
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-[ 63%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o
+[ 65%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o
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-[ 64%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
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+[ 65%] Linking CXX executable testCrystalForceField
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testCrystalForceField.dir/link.d CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -o testCrystalForceField  ../../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 64%] Built target testMMFFForceFieldHelpersMultiThread
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 64%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
+[ 65%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolAlign/testMolAlign.cpp
-[ 64%] Linking CXX executable fpGenTestCatch
+[ 65%] Linking CXX executable fpGenTestCatch
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
-[ 65%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Built target fpGenTestCatch
@@ -5671,13 +5702,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolAlign/testO3AAlign.cpp
-[ 65%] Linking CXX executable fpTestCatch
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
+[ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
 [ 65%] Linking CXX executable testMMFFForceFieldHelpers
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Built target fpTestCatch
+[ 65%] Built target rdfragcatalog
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color="
@@ -5697,6 +5728,32 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
+[ 65%] Linking CXX executable fpTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 65%] Built target fpTestCatch
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 65%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
+[ 65%] Linking CXX executable testUFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 65%] Built target testUFFForceFieldHelpers
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 65%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ShapeHelpers/testShapeHelpers.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-202309.3/Code/RDGeneral/Invariant.h:17,
@@ -5712,37 +5769,11 @@
 /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)
       |     ^~~~~~~~~
-[ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 65%] Built target rdfragcatalog
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
 [ 65%] Linking CXX executable testMolAlign
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Built target testMolAlign
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-[ 65%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
-[ 65%] Linking CXX executable testFingerprintGenerators
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Built target testFingerprintGenerators
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color="
@@ -5751,11 +5782,11 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolCatalog/test1.cpp
-[ 65%] Linking CXX executable testUFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 65%] Linking CXX executable testFingerprintGenerators
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Built target testUFFForceFieldHelpers
+[ 65%] Built target testFingerprintGenerators
 make  -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/DependInfo.cmake "--color="
@@ -5764,27 +5795,25 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 65%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FMCS/FMCS.cpp
-[ 65%] Linking CXX executable distGeomHelpersCatch
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Built target distGeomHelpersCatch
+[ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
+[ 66%] Built target rdDistGeom
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 65%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
+[ 66%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolHash/hashfunctions.cpp
-[ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target rdDistGeom
-[ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+[ 66%] Built target rdMolDescriptors
 make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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@@ -5792,21 +5821,25 @@
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 [ 66%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MMPA/MMPA.cpp
-[ 66%] Linking CXX executable molAlignCatchTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 66%] Linking CXX executable distGeomHelpersCatch
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target rdMolDescriptors
+[ 66%] Built target distGeomHelpersCatch
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/RascalMCES.cpp
+[ 66%] Linking CXX executable molAlignCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
+[ 66%] Linking CXX executable testShapeHelpers
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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@@ -5816,11 +5849,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 66%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/catch_tests.cpp
-[ 66%] Linking CXX executable testO3AAlign
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target testO3AAlign
+[ 66%] Built target testShapeHelpers
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/DependInfo.cmake "--color="
@@ -5829,13 +5860,13 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Trajectory/trajectoryTest.cpp
+[ 66%] Linking CXX executable testO3AAlign
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
 [ 66%] Linking CXX executable testFingerprints
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-[ 66%] Linking CXX executable testShapeHelpers
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target testFingerprints
+[ 66%] Built target testO3AAlign
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/DependInfo.cmake "--color="
@@ -5844,9 +5875,9 @@
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target testShapeHelpers
+[ 66%] Built target testFingerprints
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/DependInfo.cmake "--color="
@@ -5855,11 +5886,11 @@
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/rapidjson -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolInterchange/molinterchange_catch.cpp
-[ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 66%] Linking CXX executable testFeatures
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 66%] Built target rdMolAlign
+[ 66%] Built target testFeatures
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@@ -5881,42 +5912,56 @@
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-[ 67%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
+[ 68%] Linking CXX executable testDistGeomHelpers
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
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-[ 67%] Built target MMPA
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-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
+[ 68%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
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-[ 67%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
+[ 68%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolHash/normalize.cpp
-[ 68%] Linking CXX executable testDistGeomHelpers
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 68%] Built target rdMolAlign
+[ 68%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/MDLParser.cpp
+[ 69%] Linking CXX executable trajectoryTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 68%] Built target testDistGeomHelpers
+[ 69%] Built target trajectoryTest
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
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+[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FMCS/Seed.cpp
+[ 69%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2023.09.3 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 69%] Built target MMPA
 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-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
-[ 68%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
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-[ 69%] Linking CXX executable trajectoryTest
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+[ 69%] Linking CXX executable molInterchangeTest1
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 69%] Built target trajectoryTest
+[ 69%] Built target molInterchangeTest1
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
@@ -5925,17 +5970,15 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 69%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
-[ 69%] Linking CXX executable testFeatures
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 69%] Linking CXX executable molInterchangeCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
+[ 69%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 69%] Built target testFeatures
+[ 69%] Built target molInterchangeCatchTest
 [ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
-[ 69%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/CIPMol.cpp
-[ 69%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
@@ -5948,13 +5991,19 @@
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 [ 69%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
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-[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/MDLParser.cpp
-[ 69%] Linking CXX executable molInterchangeCatchTest
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+[ 69%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionPickler.cpp
+[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
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+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
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+[ 69%] Linking CXX executable testInchi
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/testInchi.dir/link.txt --verbose=1
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+[ 69%] Built target testInchi
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-[ 69%] Linking CXX executable molInterchangeTest1
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
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-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
-[ 69%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
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+[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
+[ 69%] Linking CXX executable testMMPA
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 69%] Built target testMMPA
 [ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/PartitionSet.cpp
+[ 70%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionDepict.cpp
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-[ 71%] Linking CXX executable testInchi
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/testInchi.dir/link.d CMakeFiles/testInchi.dir/test.cpp.o -o testInchi  ../../lib/libRDKitRDInchiLib.so.1.2023.09.3 ../../lib/libRDKitDescriptors.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libinchi.so ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 72%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/PartitionSet.cpp
+[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 71%] Built target testInchi
-[ 71%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 71%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
+[ 72%] Built target rdMMPA
+[ 72%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/RascalResult.cpp
-[ 71%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionPickler.cpp
-[ 71%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionWriter.cpp
-[ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionDepict.cpp
-[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 72%] Built target rdMolHash
+[ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp
 [ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
 [ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionUtils.cpp
-[ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/MoleculeParser.cpp
 [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
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+[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 72%] Built target rdMolHash
 [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
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-[ 72%] Linking CXX executable molHashCatchTest
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/libRDKitMolHash.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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+[ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/MoleculeParser.cpp
 [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
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-[ 72%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.cpp
 [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
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-[ 72%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
+[ 73%] Linking CXX executable molHashCatchTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
+[ 73%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 73%] Built target molHashCatchTest
+[ 73%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
+[ 73%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
+[ 73%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
+[ 73%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
+[ 73%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
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-[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
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-[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
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-[ 75%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
+[ 74%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/PNGParser.cpp
+[ 74%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/CDXMLParser.cpp
+[ 74%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1
+[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/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-202309.3/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
+[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 75%] Built target FMCS
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 75%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FMCS/testFMCS_Unit.cpp
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color="
@@ -6110,6 +6139,18 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 75%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/FMCS/Test/testFMCS.cpp
+[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+[ 75%] Linking CXX executable testCIPLabeler
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/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/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 75%] Built target testCIPLabeler
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: In function 'boost::python::api::object {anonymous}::degenerateSmartsQueryMolDictHelper(const RDKit::MCSResult&)':
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: warning: redundant move in return statement [-Wredundant-move]
+  646 |   return std::move(res);
+      |          ~~~~~~~~~^~~~~
+/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: note: remove 'std::move' call
 [ 75%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
@@ -6118,49 +6159,39 @@
 [ 75%] Built target RascalMCES
 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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.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-202309.3/obj-aarch64-linux-gnu'
 [ 75%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/RascalMCES/mces_catch.cpp
-[ 75%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 75%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
 [ 75%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
-[ 75%] Linking CXX executable testCIPLabeler
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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/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/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 75%] Built target testCIPLabeler
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: In function 'boost::python::api::object {anonymous}::degenerateSmartsQueryMolDictHelper(const RDKit::MCSResult&)':
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: warning: redundant move in return statement [-Wredundant-move]
-  646 |   return std::move(res);
-      |          ~~~~~~~~~^~~~~
-/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: note: remove 'std::move' call
-[ 75%] Linking CXX executable testRascalCluster
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 76%] Linking CXX executable FMCStest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 75%] Built target testRascalCluster
-[ 75%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
+[ 76%] Built target FMCStest
+[ 76%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 75%] Built target ChemReactions
+[ 76%] Built target ChemReactions
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MarvinParse/MarvinParser.cpp
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-[ 75%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
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-[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/testReaction.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MarvinParse/MarvinWriter.cpp
-[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
-[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
+[ 76%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/testReaction.cpp
+[ 76%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
+[ 76%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/DependInfo.cmake "--color="
+[ 76%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
+[ 76%] Linking CXX executable testRascalCluster
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/catch_tests.cpp
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-[ 75%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ChemReactions/catch_tests.cpp
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
+[ 77%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/MolStandardize.cpp
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 77%] Built target FMCStest
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
-[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 77%] Built target rdRascalMCES
+[ 77%] Built target rdFMCS
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
@@ -6237,18 +6268,18 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 78%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Deprotect/Deprotect.cpp
-[ 79%] Linking CXX executable testRascalMCES
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 78%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 79%] Built target testRascalMCES
+[ 78%] Built target rdRascalMCES
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
-[ 79%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
 In file included from /usr/include/c++/14/bits/stl_algobase.h:64,
                  from /usr/include/c++/14/string:51,
@@ -6263,137 +6294,121 @@
 /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)
       |     ^~~~~~~~~
-[ 79%] Linking CXX executable testFMCS
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 79%] Linking CXX executable testRascalMCES
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 79%] Built target testFMCS
+[ 79%] 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
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 make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build
+[ 79%] Linking CXX executable testFMCS
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 79%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/rdmolops.cpp
-[ 79%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 79%] Built target rdFMCS
-[ 79%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/PositionVariation.cpp
+[ 79%] Built target testFMCS
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
 [ 79%] Linking CXX executable testReactionFingerprints
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 79%] Built target testReactionFingerprints
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
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+[ 79%] Linking CXX executable testEnumeration
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 79%] Built target testEnumeration
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Normalize.cpp
+[ 79%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MolOps.cpp
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp
 [ 79%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
-[ 80%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/LinkNode.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2023.09.3 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/Deprotect/deprotectTest.cpp
-[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MarvinParse/MarvinDefs.cpp
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-[ 80%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
+[ 79%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
-[ 80%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
+[ 79%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
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+[ 79%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
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-[ 80%] Linking CXX executable deprotectTest
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Validate.cpp
+[ 79%] Linking CXX executable deprotectTest
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-[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Normalize.cpp
-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
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-[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
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-[ 80%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
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+[ 79%] Built target deprotectTest
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Charge.cpp
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Tautomer.cpp
+[ 79%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
+[ 80%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
-[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Validate.cpp
-[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
+[ 81%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/LinkNode.cpp
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+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Fragment.cpp
+[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
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-[ 81%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
 [ 81%] Linking CXX executable rxnTestCatch
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
 [ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
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-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp
-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
+[ 81%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
+[ 82%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
 In file included from /usr/include/c++/14/bits/stl_algo.h:61,
                  from /usr/include/c++/14/algorithm:61,
                  from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
@@ -6401,39 +6416,24 @@
 /usr/include/c++/14/bits/stl_heap.h:224:5: 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
   224 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
       |     ^~~~~~~~~~~~~
-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-202309.3/Code/GraphMol/MolDraw2D/DrawText.h:19,
-                 from /build/reproducible-path/rdkit-202309.3/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-202309.3/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)
-      |     ^~~~~~~~~
-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
-[ 82%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
+[ 83%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
-[ 82%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
-[ 82%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 82%] Built target MarvinParser
+[ 83%] Built target MarvinParser
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 83%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MarvinParse/testMrvToMol.cpp
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
 In file included from /usr/include/c++/14/algorithm:60:
 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,
@@ -6462,113 +6462,147 @@
 /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)));
       |                                                       ^
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
+[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
+[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
+[ 83%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/RepeatUnit.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-202309.3/Code/GraphMol/MolDraw2D/DrawText.h:19,
+                 from /build/reproducible-path/rdkit-202309.3/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-202309.3/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)
+      |     ^~~~~~~~~
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
+[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
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+[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
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+[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
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+[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
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+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
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+[ 84%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
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+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
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-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
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-[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
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-[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 84%] Linking CXX executable testMrvToMol
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
+[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/ChiralityOps.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 83%] Built target rdMolEnumerator
+[ 84%] Built target testMrvToMol
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
+[ 84%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
+[ 84%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
+[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
-[ 83%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
-[ 83%] Linking CXX executable testMolEnumerator
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/rdchem.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
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-[ 83%] Built target testMolEnumerator
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
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-[ 83%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
+[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
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-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Bond.cpp
-[ 83%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
+[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MaeMolSupplier.cpp
+[ 85%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 85%] Built target MolStandardize
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 85%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
+[ 85%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcairo.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 83%] Built target MolDraw2D
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
+[ 85%] Built target MolDraw2D
+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-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
+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-202309.3/obj-aarch64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolDraw2D/test1.cpp
-[ 83%] Linking CXX executable testMrvToMol
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 85%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 85%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+[ 85%] Built target rdmolops
+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-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolDraw2D/catch_tests.cpp
-[ 84%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Tautomer.cpp
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MaeMolSupplier.cpp
-[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Mol.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:3898,
-                 from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/types.h:21,
-                 from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/utils.h:15,
-                 from /build/reproducible-path/rdkit-202309.3/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-202309.3/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%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
+[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Bond.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MaeWriter.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SDMolSupplier.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,
@@ -6642,407 +6676,399 @@
 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: note: '<anonymous>' declared here
    48 |   size_t num_bbs = python::extract<unsigned int>(bbs.attr("__len__")());
       |                            ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
+[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Mol.cpp
+[ 87%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 87%] Built target rdMolEnumerator
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolDraw2D/test1.cpp
+[ 87%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 87%] Built target TautomerQuery
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+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-202309.3/obj-aarch64-linux-gnu'
+[ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolDraw2D/catch_tests.cpp
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Conformer.cpp
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Fragment.cpp
-[ 85%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/RingInfo.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MaeWriter.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/EditableMol.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SDMolSupplier.cpp
-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
+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:3898,
+                 from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/types.h:21,
+                 from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/utils.h:15,
+                 from /build/reproducible-path/rdkit-202309.3/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-202309.3/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)
+      |     ^~~~~~~~~
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
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-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MonomerInfo.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MolBundle.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SmilesWriter.cpp
-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
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-[ 86%] Linking CXX executable testReaction
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
-[ 86%] Linking CXX executable moldraw2DTest1
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 88%] Linking CXX executable testMolEnumerator
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 86%] Built target testReaction
+[ 88%] Built target testMolEnumerator
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 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-202309.3/obj-aarch64-linux-gnu'
-[ 86%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
+[ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolDraw2D/rxn_test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 86%] Built target moldraw2DTest1
-[ 86%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
-[ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 88%] Linking CXX executable testReaction
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/EditableMol.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 86%] Built target rdChemReactions
+[ 88%] Built target testReaction
 make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
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-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
+[ 89%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/StereoGroup.cpp
-[ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SmilesWriter.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MonomerInfo.cpp
+[ 89%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 89%] Built target rdChemReactions
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 89%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SDWriter.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/TDTWriter.cpp
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/SubstanceGroup.cpp
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/PDBWriter.cpp
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/Chirality.cpp
-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
 [ 89%] Linking CXX executable moldraw2DRxnTest1
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
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-[ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 89%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/MolBundle.cpp
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
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+[ 90%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
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+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/Wrap/PDBWriter.cpp
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
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-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
-[ 90%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so
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-[ 91%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
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-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
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+[ 92%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
+[ 92%] Linking CXX executable moldraw2DTest1
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so
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+[ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/test1.cpp
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+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
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+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/testValidate.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/testCharge.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/testTautomer.cpp
+[ 93%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
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+[ 93%] Built target GeneralizedSubstruct
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
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+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/test2.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/MolStandardize/testFragment.cpp
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+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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+[ 93%] Linking CXX executable molValidateTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 92%] Built target moldraw2DTestCatch
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-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
+[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
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+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
+[ 93%] Linking CXX executable molStandardizeSmallTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
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-[ 92%] Built target rdchem
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-[ 92%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
+[ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
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-[ 92%] Linking CXX executable molStandardizeSmallTest
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 92%] Linking CXX executable molValidateTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
-[ 92%] Built target molStandardizeSmallTest
-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 92%] Built target molValidateTest
-[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
-[ 93%] Linking CXX executable molNormalizeTest
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 93%] Built target molNormalizeTest
-[ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
 [ 94%] Linking CXX executable molChargeTest
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
-[ 94%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 94%] Built target molChargeTest
-[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+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-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
+[ 94%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
+[ 94%] Linking CXX executable molStandardizeTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 94%] Built target molStandardizeTest
+make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 94%] Built target TautomerQuery
+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-202309.3/obj-aarch64-linux-gnu'
+[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
+[ 95%] Linking CXX executable molFragmentTest
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 95%] Built target molFragmentTest
 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-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/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-202309.3/obj-aarch64-linux-gnu'
-[ 94%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
+[ 95%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/TautomerQuery/catch_tests.cpp
-[ 94%] Linking CXX executable molFragmentTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
-[ 94%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
+[ 95%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
 cd /build/reproducible-path/rdkit-202309.3/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++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 94%] Built target molFragmentTest
+[ 95%] Built target rdMolDraw2D
 make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend
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-[ 94%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
+[ 95%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
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+[ 95%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
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-[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color="
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+[ 95%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
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+[ 95%] Linking CXX executable moldraw2DTestCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcairo.so /usr/lib/aarch64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
-[ 94%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
+[ 96%] Built target moldraw2DTestCatch
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
+[ 96%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
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 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2023.09.3 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
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-[ 94%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
+[ 96%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
-[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
+[ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
+[ 97%] Linking CXX executable molTautomerTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 97%] Built target molTautomerTest
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-[ 95%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
-[ 95%] Linking CXX executable molStandardizeCatchTest
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
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-[ 95%] Built target molStandardizeCatchTest
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
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-[ 95%] Linking CXX executable tautomerQueryTestCatch
+[ 97%] Linking CXX executable tautomerQueryTestCatch
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+[ 98%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
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-[ 95%] Built target tautomerQueryTestCatch
-[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
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-[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
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-[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
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-[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
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-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
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-[ 98%] Linking CXX executable molTautomerTest
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+[ 98%] Built target tautomerQueryTestCatch
+[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
+[ 98%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1
+[ 98%] Linking CXX executable generalizedSubstructCatch
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 98%] Built target molTautomerTest
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
+[ 98%] Built target rdGeneralizedSubstruct
+[ 99%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 99%] Built target generalizedSubstructCatch
+[ 99%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
+[ 99%] Linking CXX executable molStandardizeCatchTest
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 99%] Built target molStandardizeCatchTest
+[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
-[ 98%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
+[ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
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+[ 99%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
+[ 99%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
+[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 98%] Built target rdTautomerQuery
-[ 98%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
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-[ 98%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
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-[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
-[ 99%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 99%] Built target rdScaffoldNetwork
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 99%] Built target rdMolStandardize
+[ 99%] Built target rdTautomerQuery
+[ 99%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
 [ 99%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 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.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
@@ -7051,73 +7077,58 @@
 [ 99%] Built target RGroupDecomposition
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
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 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color="
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 make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/depend
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
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-[ 99%] Linking CXX executable rgroupCatchTests
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 99%] Built target rgroupCatchTests
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitga.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[ 99%] Linking CXX executable testScaffoldNetwork
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 99%] Built target rdRGroupDecomposition
+[ 99%] Built target testScaffoldNetwork
 [ 99%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1
+[ 99%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[ 99%] Built target rdScaffoldNetwork
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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.1.2023.09.3 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o  ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [ 99%] Built target SubstructLibrary
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/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
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color="
@@ -7125,29 +7136,49 @@
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build
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-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
+make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
 [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SubstructLibrary/catch_tests.cpp
+[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
 [100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o
-[100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
-cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_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-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202309.3/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
-[100%] Linking CXX executable substructLibraryCatchTest
-cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+[100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=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-202309.3/Code/GraphMol/SubstructLibrary/catch_tests.cpp
+[100%] Linking CXX executable testRGroupDecompInternals
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
-[100%] Built target substructLibraryCatchTest
+[100%] Built target testRGroupDecompInternals
+[100%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
+cd /build/reproducible-path/rdkit-202309.3/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++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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  ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[100%] Built target rdMolStandardize
 [100%] Linking CXX executable substructLibraryTest
 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
 [100%] Built target substructLibraryTest
+[100%] Linking CXX executable rgroupCatchTests
+cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
+[100%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202309.3/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++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[100%] Built target rgroupCatchTests
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=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.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitga.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.12.so /usr/lib/aarch64-linux-gnu/libboost_python312.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[100%] Built target rdRGroupDecomposition
+[100%] Linking CXX executable substructLibraryCatchTest
+cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu'
+[100%] Built target substructLibraryCatchTest
 [100%] Linking CXX executable testRGroupDecomp
 cd /build/reproducible-path/rdkit-202309.3/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-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2023.09.3 ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl
@@ -11925,11 +11956,41 @@
 12: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testBV.py"
 12: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
 12: Test timeout computed to be: 1500
-1: [08:07:48] -------------------------------------
-1: [08:07:48] -------------------------------------
-1: [08:07:48] -------------------------------------
-1: [08:07:48] -------------------------------------
-1: [08:07:48] Extended double-bond stereochemistry (e.g. C=C=C=C) ignored
+1: [04:48:23] -------------------------------------
+1: [04:48:23] -------------------------------------
+1: [04:48:23] -------------------------------------
+1: [04:48:23] -------------------------------------
+1: [04:48:23] Extended double-bond stereochemistry (e.g. C=C=C=C) ignored
+1: [04:48:23] -------------------------------------
+1: [04:48:23] -------------------------------------
+1: [04:48:23] -------------------------------------
+1: [04:48:23]     Test multithreading
+1: reading molecules
+1: generating reference data
+1: processing
+1:  launch :0
+1:  launch :1
+1:  launch :2
+1:  launch :3
+1: [04:48:23] 
+1: 
+1: ****
+1: Test Assert
+1: Expression Failed: 
+1: Violation occurred on line 51 in file ./External/INCHI-API/test.cpp
+1: Failed Expression: inchi == inchi2
+1: ****
+1: 
+1: [04:48:23] Invalid InChI prefix in generating InChI Key
+1: [04:48:23] 
+1: 
+1: ****
+1: Test Assert
+1: Expression Failed: 
+1: Violation occurred on line 45 in file ./External/INCHI-API/test.cpp
+1: Failed Expression: key2 == keys[i]
+1: ****
+1: 
 2: core
 2:      RDKit          2D
 2: 
@@ -12243,106 +12304,6 @@
 2:  11  9  1  0
 2: M  END
 2: 
-4: [08:07:48] Testing Github940: property dictionaries leaking memory
-4: [08:07:48] 	done
-4: Testing RDValue
-4: Testing RDAny
-4: dict set int vect
-4: dict get int vect
-5: -- running tests -- 
-5: min: -2147483648 -2147483648
-5: min: 0 0
-5: min: 2.22507e-308 2.22507e-308
-5: min: 1.17549e-38 1.17549e-38
-5: min: 0 0
-5: == int
-5: == double
-5: == float
-5: == unsigned int
-5: == bool
-5: == std::string
-6: [08:07:48] 
-6: -----------------------------------------
-6: [08:07:48] Finished: testPushAndPop() 
-6: [08:07:48] 
-6: -----------------------------------------
-6: [08:07:48] 
-6: -----------------------------------------
-7: Randomness seeded to: 1207920226
-7: ===============================================================================
-7: All tests passed (32 assertions in 2 test cases)
-7: 
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: Randomness seeded to: 3078089204
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: [08:07:48] should not be silent
-8: ===============================================================================
-8: All tests passed (26 assertions in 3 test cases)
-8: 
-9: 10, 11, 14, 
-9: t1: 10, 11, 14, 
-9: t2: 10, 11, 15, 17, 
-9: t1|t2: 10, 11, 14, 15, 17, 
-9: t1&t2: 10, 11, 
-9: t1^t2: 14, 15, 17, 
-9: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-9:  except 
-9: 10, 11, 14, 
-9: t1: 10, 11, 14, 
-9: t2: 10, 11, 15, 17, 
-9: t1|t2: 10, 11, 14, 15, 17, 
-9: t1&t2: 10, 11, 
-9: t1^t2: 14, 15, 17, 
-9: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-9:  except 
-  1/223 Test   #5: testRDValue ............................   Passed    0.05 sec
-  2/223 Test   #7: dictTestsCatch .........................   Passed    0.04 sec
-  3/223 Test   #8: logTestsCatch ..........................   Passed    0.03 sec
-  4/223 Test   #9: testDataStructs ........................   Passed    0.03 sec
-  5/223 Test  #10: testFPB ................................   Passed    0.02 sec
-test 13
-        Start  13: pyDiscreteValueVect
-
-13: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testDiscreteValueVect.py"
-13: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-13: Test timeout computed to be: 1500
-test 14
-        Start  14: pySparseIntVect
-
-14: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testSparseIntVect.py"
-14: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-14: Test timeout computed to be: 1500
-test 15
-        Start  15: pyFPB
-
-15: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testFPB.py"
-15: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
-15: Test timeout computed to be: 1500
-test 16
-        Start  16: testTransforms
-
-16: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testTransforms
-16: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
-16: Test timeout computed to be: 1500
-test 17
-        Start  17: testGrid
-
-17: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testGrid
-17: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
-17: Test timeout computed to be: 1500
-1: [08:07:48] -------------------------------------
-1: [08:07:48] -------------------------------------
-1: [08:07:48] -------------------------------------
-1: [08:07:48]     Test multithreading
-1: reading molecules
-1: generating reference data
 2: templated
 2:      RDKit          2D
 2: 
@@ -12487,224 +12448,101 @@
 2:   2  5  1  0
 2: M  END
 2: 
-4: static boost any:0.086792 s
-16: ****************************************
-16: testPointND
-16: ****************************************
-16: testPointOps3D
-16: ****************************************
-16: testPointOps2D
-16: ****************************************
-16: test12D
-16: ref1: 1.32691 4.59709  ref2: 0.240776 0.0185921 
-16: pt1: 2.13374 2.1425  pt2: 0.899916 1.92444 
-16: ****************************************
-16: test23D
-16: ****************************************
-16: test3MatMultiply
-16: Pt1: 1 0 0  Pt2: 2 0 0 
-16: -Pt1: -1 -0 -0 
-16: tp1: 0 0 0  tp2: 0 0 0 
-16: tp1: 0 0 0  tp2: 0 0 0 
-16: tp1: 0 0 3  tp2: 0 0 3 
-16: npt1: 0 0 3  npt2: 0 0 4 
-16: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
-16: ****************************************
-16: testFromQuaternion
-16: ****************************************
-  6/223 Test  #16: testTransforms .........................   Passed    0.04 sec
-test 18
-        Start  18: geometryTestsCatch
-
-18: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch
-18: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
-18: Test timeout computed to be: 1500
-1: processing
-1:  launch :0
-1:  launch :1
-1:  launch :2
-1:  launch :3
-17: ***********************************************************
-17: Testing Grid
-17: 	---------------------------------
-17: 	 testUniformGrid1 
-17: 
-17: 	---------------------------------
-17: 	 testUniformGrid2 
-17: 
-17: 	---------------------------------
-17: 	 testUniformGridPickling 
-17: 
-17: 	---------------------------------
-17: 	 testGridOps 
-17: 
-17: 	---------------------------------
-17: 	 testUniformGridIndexing 
-17: 
-  7/223 Test  #17: testGrid ...............................   Passed    0.03 sec
-test 19
-        Start  19: testPyGeometry
-
-19: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/testGeometry.py"
-19: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap
-19: Test timeout computed to be: 1500
-1: [08:07:48] 
-1: 
-1: ****
-1: Test Assert
-1: Expression Failed: 
-1: Violation occurred on line 51 in file ./External/INCHI-API/test.cpp
-1: Failed Expression: inchi == inchi2
-1: ****
-1: 
-1: [08:07:48] 
-1: 
-1: ****
-1: Test Assert
-1: Expression Failed: 
-1: Violation occurred on line 41 in file ./External/INCHI-API/test.cpp
-1: Failed Expression: inchi == inchis[i]
-1: ****
-1: 
-1: [08:07:48] 
-1: 
-1: ****
-1: Test Assert
-1: Expression Failed: 
-1: Violation occurred on line 41 in file ./External/INCHI-API/test.cpp
-1: Failed Expression: inchi == inchis[i]
-1: ****
-1: 
-1: terminate called after throwing an instance of 'Invar::Invariant'
-1:   what():  Expression Failed: 
-18: Randomness seeded to: 3990624235
-18: ===============================================================================
-18: All tests passed (50 assertions in 5 test cases)
-18: 
-  8/223 Test  #18: geometryTestsCatch .....................   Passed    0.02 sec
-test 20
-        Start  20: testMatrices
-
-20: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testMatrices
-20: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics
-20: Test timeout computed to be: 1500
-  9/223 Test   #1: testInchi ..............................Subprocess aborted***Exception:   0.15 sec
-[08:07:48] -------------------------------------
-[08:07:48] -------------------------------------
-[08:07:48] -------------------------------------
-[08:07:48] -------------------------------------
-[08:07:48] Extended double-bond stereochemistry (e.g. C=C=C=C) ignored
-[08:07:48] -------------------------------------
-[08:07:48] -------------------------------------
-[08:07:48] -------------------------------------
-[08:07:48]     Test multithreading
-reading molecules
-generating reference data
-processing
- launch :0
- launch :1
- launch :2
- launch :3
-[08:07:48] 
-
-****
-Test Assert
-Expression Failed: 
-Violation occurred on line 51 in file ./External/INCHI-API/test.cpp
-Failed Expression: inchi == inchi2
-****
-
-[08:07:48] 
-
-****
-Test Assert
-Expression Failed: 
-Violation occurred on line 41 in file ./External/INCHI-API/test.cpp
-Failed Expression: inchi == inchis[i]
-****
-
-[08:07:48] 
-
-****
-Test Assert
-Expression Failed: 
-Violation occurred on line 41 in file ./External/INCHI-API/test.cpp
-Failed Expression: inchi == inchis[i]
-****
-
-terminate called after throwing an instance of 'Invar::Invariant'
-  what():  Expression Failed: 
+4: [04:48:23] Testing Github940: property dictionaries leaking memory
+4: [04:48:23] 	done
+4: Testing RDValue
+4: Testing RDAny
+4: dict set int vect
+4: dict get int vect
+4: static boost any:0.04702 s
+5: -- running tests -- 
+5: min: -2147483648 -2147483648
+5: min: 0 0
+5: min: 2.22507e-308 2.22507e-308
+5: min: 1.17549e-38 1.17549e-38
+5: min: 0 0
+5: == int
+5: == double
+5: == float
+5: == unsigned int
+5: == bool
+5: == std::string
+6: [04:48:23] 
+6: -----------------------------------------
+6: [04:48:23] Finished: testPushAndPop() 
+6: [04:48:23] 
+6: -----------------------------------------
+6: [04:48:23] 
+6: -----------------------------------------
+7: Randomness seeded to: 3067645734
+7: ===============================================================================
+7: All tests passed (32 assertions in 2 test cases)
+7: 
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: Randomness seeded to: 2825955281
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: [04:48:23] should not be silent
+8: ===============================================================================
+8: All tests passed (26 assertions in 3 test cases)
+8: 
+9: 10, 11, 14, 
+9: t1: 10, 11, 14, 
+9: t2: 10, 11, 15, 17, 
+9: t1|t2: 10, 11, 14, 15, 17, 
+9: t1&t2: 10, 11, 
+9: t1^t2: 14, 15, 17, 
+9: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+9:  except 
+9: 10, 11, 14, 
+9: t1: 10, 11, 14, 
+9: t2: 10, 11, 15, 17, 
+9: t1|t2: 10, 11, 14, 15, 17, 
+9: t1&t2: 10, 11, 
+9: t1^t2: 14, 15, 17, 
+9: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+9:  except 
+  1/223 Test   #5: testRDValue ............................   Passed    0.16 sec
+  2/223 Test   #7: dictTestsCatch .........................   Passed    0.12 sec
+  3/223 Test   #8: logTestsCatch ..........................   Passed    0.10 sec
+  4/223 Test   #9: testDataStructs ........................   Passed    0.09 sec
+  5/223 Test  #10: testFPB ................................   Passed    0.07 sec
+test 13
+        Start  13: pyDiscreteValueVect
 
-20: [08:07:48] -----------------------------------------
-20: [08:07:48] Testing RDNumerics: vectors and matrices Code
-20: [08:07:48] ---------------------------------------
-20: [08:07:48] 	 test1Vector
-20: [08:07:48] ---------------------------------------
-20: [08:07:48] 	 test2Matrix
-20: [08:07:48] ---------------------------------------
-20: [08:07:48] 	 test3SquareMatrix
-20: [08:07:48] ---------------------------------------
-20: [08:07:48] 	 test4SymmMatrix
- 10/223 Test  #20: testMatrices ...........................   Passed    0.01 sec
-test 21
-        Start  21: testConrec
+13: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testDiscreteValueVect.py"
+13: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+13: Test timeout computed to be: 1500
+test 14
+        Start  14: pySparseIntVect
 
-21: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testConrec
-21: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics
-21: Test timeout computed to be: 1500
-test 22
-        Start  22: testAlignment
+14: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testSparseIntVect.py"
+14: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+14: Test timeout computed to be: 1500
+test 15
+        Start  15: pyFPB
 
-22: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment
-22: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment
-22: Test timeout computed to be: 1500
-21: Randomness seeded to: 3041732022
-21: 
-21: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-21: testConrec is a Catch2 v3.7.1 host application.
-21: Run with -? for options
-21: 
-21: -------------------------------------------------------------------------------
-21: connectLineSegments
-21:   basics
-21: -------------------------------------------------------------------------------
-21: ./Code/Numerics/testConrec.cpp:90
-21: ...............................................................................
-21: 
-21: ./Code/Numerics/testConrec.cpp:130: FAILED:
-21:   CHECK( contours.size() == 74 )
-21: with expansion:
-21:   177 == 74
-21: 
-22: -----------------------------------------
-22: Testing Alignment Code
-22: ---------------------------------------
-22: 	 testBasic
-22: ---------------------------------------
-22: 	 testTriangle
-22: ---------------------------------------
-22: 	 testFourPts
-22: ---------------------------------------
-22: 	 testReflection
-22: ---------------------------------------
- 11/223 Test  #11: testMultiFPB ...........................   Passed    0.14 sec
- 12/223 Test  #22: testAlignment ..........................   Passed    0.01 sec
-test 23
-        Start  23: pyAlignment
+15: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testFPB.py"
+15: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap
+15: Test timeout computed to be: 1500
+test 16
+        Start  16: testTransforms
 
-23: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/testAlignment.py"
-23: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap
-23: Test timeout computed to be: 1500
-test 24
-        Start  24: testOptimizer
+16: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testTransforms
+16: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
+16: Test timeout computed to be: 1500
+test 17
+        Start  17: testGrid
 
-24: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
-24: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer
-24: Test timeout computed to be: 1500
-21: ===============================================================================
-21: test cases:   3 |   2 passed | 1 failed
-21: assertions: 179 | 178 passed | 1 failed
-21: 
+17: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testGrid
+17: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
+17: Test timeout computed to be: 1500
 2: cyclosporine a
 2:      RDKit          2D
 2: 
@@ -13065,14 +12903,199 @@
 2:  30 11  1  0
 2: M  END
 2: 
-24: -------------------------------------
-24: Testing linear search.
-24:   done
-24: -------------------------------------
-24: Testing BFGS optimization.
-24:   done
+16: ****************************************
+16: testPointND
+16: ****************************************
+16: testPointOps3D
+16: ****************************************
+16: testPointOps2D
+16: ****************************************
+16: test12D
+16: ref1: 2.99108 4.23979  ref2: 2.40124 2.03435 
+16: pt1: 0.590744 2.7266  pt2: 0.987342 2.27228 
+16: ****************************************
+16: test23D
+16: ****************************************
+16: test3MatMultiply
+16: Pt1: 1 0 0  Pt2: 2 0 0 
+16: -Pt1: -1 -0 -0 
+16: tp1: 0 0 0  tp2: 0 0 0 
+16: tp1: 0 0 0  tp2: 0 0 0 
+16: tp1: 0 0 3  tp2: 0 0 3 
+16: npt1: 0 0 3  npt2: 0 0 4 
+16: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
+16: ****************************************
+16: testFromQuaternion
+16: ****************************************
+  6/223 Test   #2: testCoordGen ...........................   Passed    0.29 sec
+  7/223 Test  #11: testMultiFPB ...........................   Passed    0.13 sec
+  8/223 Test  #16: testTransforms .........................   Passed    0.02 sec
+test 18
+        Start  18: geometryTestsCatch
+
+18: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch
+18: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry
+18: Test timeout computed to be: 1500
+test 19
+        Start  19: testPyGeometry
+
+19: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/testGeometry.py"
+19: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap
+19: Test timeout computed to be: 1500
+test 20
+        Start  20: testMatrices
+
+20: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testMatrices
+20: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics
+20: Test timeout computed to be: 1500
+17: ***********************************************************
+17: Testing Grid
+17: 	---------------------------------
+17: 	 testUniformGrid1 
+17: 
+17: 	---------------------------------
+17: 	 testUniformGrid2 
+17: 
+17: 	---------------------------------
+17: 	 testUniformGridPickling 
+17: 
+17: 	---------------------------------
+17: 	 testGridOps 
+17: 
+17: 	---------------------------------
+17: 	 testUniformGridIndexing 
+17: 
+18: Randomness seeded to: 2087473925
+18: ===============================================================================
+18: All tests passed (50 assertions in 5 test cases)
+18: 
+20: [04:48:23] -----------------------------------------
+20: [04:48:23] Testing RDNumerics: vectors and matrices Code
+20: [04:48:23] ---------------------------------------
+20: [04:48:23] 	 test1Vector
+20: [04:48:23] ---------------------------------------
+20: [04:48:23] 	 test2Matrix
+20: [04:48:23] ---------------------------------------
+20: [04:48:23] 	 test3SquareMatrix
+20: [04:48:23] ---------------------------------------
+20: [04:48:23] 	 test4SymmMatrix
+  9/223 Test  #17: testGrid ...............................   Passed    0.08 sec
+ 10/223 Test  #18: geometryTestsCatch .....................   Passed    0.06 sec
+ 11/223 Test  #20: testMatrices ...........................   Passed    0.02 sec
+test 21
+        Start  21: testConrec
+
+21: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testConrec
+21: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics
+21: Test timeout computed to be: 1500
+test 22
+        Start  22: testAlignment
+
+22: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment
+22: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment
+22: Test timeout computed to be: 1500
+test 23
+        Start  23: pyAlignment
+
+23: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/testAlignment.py"
+23: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap
+23: Test timeout computed to be: 1500
+1: [04:48:23] Invalid InChI prefix in generating InChI Key
+1: [04:48:23] 
+1: 
+1: ****
+1: Test Assert
+1: Expression Failed: 
+1: Violation occurred on line 45 in file ./External/INCHI-API/test.cpp
+1: Failed Expression: key2 == keys[i]
+1: ****
+1: 
+1: terminate called after throwing an instance of 'Invar::Invariant'
+1:   what():  Expression Failed: 
+21: Randomness seeded to: 1475704069
+21: 
+21: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+21: testConrec is a Catch2 v3.7.1 host application.
+21: Run with -? for options
+21: 
+21: -------------------------------------------------------------------------------
+21: connectLineSegments
+21:   basics
+21: -------------------------------------------------------------------------------
+21: ./Code/Numerics/testConrec.cpp:90
+21: ...............................................................................
+21: 
+21: ./Code/Numerics/testConrec.cpp:130: FAILED:
+21:   CHECK( contours.size() == 74 )
+21: with expansion:
+21:   177 == 74
+21: 
+21: ===============================================================================
+21: test cases:   3 |   2 passed | 1 failed
+21: assertions: 179 | 178 passed | 1 failed
+21: 
+22: -----------------------------------------
+22: Testing Alignment Code
+22: ---------------------------------------
+22: 	 testBasic
+22: ---------------------------------------
+22: 	 testTriangle
+22: ---------------------------------------
+22: 	 testFourPts
+22: ---------------------------------------
+22: 	 testReflection
+22: ---------------------------------------
+ 12/223 Test   #1: testInchi ..............................Subprocess aborted***Exception:   0.44 sec
+[04:48:23] -------------------------------------
+[04:48:23] -------------------------------------
+[04:48:23] -------------------------------------
+[04:48:23] -------------------------------------
+[04:48:23] Extended double-bond stereochemistry (e.g. C=C=C=C) ignored
+[04:48:23] -------------------------------------
+[04:48:23] -------------------------------------
+[04:48:23] -------------------------------------
+[04:48:23]     Test multithreading
+reading molecules
+generating reference data
+processing
+ launch :0
+ launch :1
+ launch :2
+ launch :3
+[04:48:23] 
+
+****
+Test Assert
+Expression Failed: 
+Violation occurred on line 51 in file ./External/INCHI-API/test.cpp
+Failed Expression: inchi == inchi2
+****
+
+[04:48:23] Invalid InChI prefix in generating InChI Key
+[04:48:23] 
+
+****
+Test Assert
+Expression Failed: 
+Violation occurred on line 45 in file ./External/INCHI-API/test.cpp
+Failed Expression: key2 == keys[i]
+****
+
+[04:48:23] Invalid InChI prefix in generating InChI Key
+[04:48:23] 
+
+****
+Test Assert
+Expression Failed: 
+Violation occurred on line 45 in file ./External/INCHI-API/test.cpp
+Failed Expression: key2 == keys[i]
+****
+
+terminate called after throwing an instance of 'Invar::Invariant'
+  what():  Expression Failed: 
+
  13/223 Test  #21: testConrec .............................***Failed    0.06 sec
-Randomness seeded to: 3041732022
+Randomness seeded to: 1475704069
 
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 testConrec is a Catch2 v3.7.1 host application.
@@ -13095,7 +13118,13 @@
 assertions: 179 | 178 passed | 1 failed
 
 
- 14/223 Test  #24: testOptimizer ..........................   Passed    0.01 sec
+ 14/223 Test  #22: testAlignment ..........................   Passed    0.04 sec
+test 24
+        Start  24: testOptimizer
+
+24: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
+24: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer
+24: Test timeout computed to be: 1500
 test 25
         Start  25: testUFFForceField
 
@@ -13108,7 +13137,13 @@
 26: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
 26: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/MMFF
 26: Test timeout computed to be: 1500
- 15/223 Test   #2: testCoordGen ...........................   Passed    0.23 sec
+24: -------------------------------------
+24: Testing linear search.
+24:   done
+24: -------------------------------------
+24: Testing BFGS optimization.
+24:   done
+ 15/223 Test  #24: testOptimizer ..........................   Passed    0.04 sec
 test 27
         Start  27: pyForceFieldConstraints
 
@@ -13161,32 +13196,38 @@
 25:   done
 25: -------------------------------------
 25: Unit tests for all UFF constraint terms.
+26: -------------------------------------
+26: Official MMFF validation suite.
+14: .........
+14: ----------------------------------------------------------------------
+14: Ran 9 tests in 0.013s
+14: 
+14: OK
 13: ......
 13: ----------------------------------------------------------------------
 13: Ran 6 tests in 0.002s
 13: 
 13: OK
-26: -------------------------------------
-26: Official MMFF validation suite.
 25:   done
 25: -------------------------------------
 25: Unit tests for copying UFF ForceFields.
- 16/223 Test  #13: pyDiscreteValueVect ....................   Passed    0.25 sec
+25:   done
+25: -------------------------------------
+25: Unit test for UFF butane scan.
+3: ....
+3: ----------------------------------------------------------------------
+3: Ran 4 tests in 0.041s
+3: 
+3: OK
+26: 
+26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
+ 16/223 Test  #13: pyDiscreteValueVect ....................   Passed    0.44 sec
 test 28
         Start  28: testDistGeom
 
 28: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/testDistGeom
 28: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom
 28: Test timeout computed to be: 1500
-19: ...........
-19: ----------------------------------------------------------------------
-19: Ran 11 tests in 0.011s
-19: 
-19: OK
-19: Testing Geometry wrapper
-25:   done
-25: -------------------------------------
-25: Unit test for UFF butane scan.
 28: ***********************************************************
 28:    test1 
 28: ***********************************************************
@@ -13198,38 +13239,32 @@
 28:       1      1      1      0
 28: ***********************************************************
 28: 
-15: .........
-15: ----------------------------------------------------------------------
-15: Ran 9 tests in 0.053s
-15: 
-15: OK
- 17/223 Test  #28: testDistGeom ...........................   Passed    0.02 sec
+ 17/223 Test  #14: pySparseIntVect ........................   Passed    0.45 sec
 test 29
         Start  29: pyDistGeom
 
 29: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap/rough_test.py"
 29: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap
 29: Test timeout computed to be: 1500
-3: ....
-3: ----------------------------------------------------------------------
-3: Ran 4 tests in 0.033s
-3: 
-3: OK
-14: .........
-14: ----------------------------------------------------------------------
-14: Ran 9 tests in 0.005s
-14: 
-14: OK
-26: 
-26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
- 18/223 Test  #19: testPyGeometry .........................   Passed    0.24 sec
+15: .........
+15: ----------------------------------------------------------------------
+15: Ran 9 tests in 0.081s
+15: 
+15: OK
+19: ...........
+19: ----------------------------------------------------------------------
+19: Ran 11 tests in 0.012s
+19: 
+19: OK
+19: Testing Geometry wrapper
+ 18/223 Test  #28: testDistGeom ...........................   Passed    0.05 sec
 test 30
         Start  30: graphmolTest1
 
 30: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1
 30: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 30: Test timeout computed to be: 1500
-4: dynamic boost any:0.238743 s
+4: dynamic boost any:0.237781 s
 30: Atoms:
 30: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 0 arom?: 0 chi: 0
 30: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0
@@ -13239,7 +13274,7 @@
 30: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0
 30: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 0 arom?: 0 chi: 0
 30: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb: 0 arom?: 1 chi: 0
-30: 	8 22 Ti chg: 0  deg: 1 exp: [08:07:48] 
+30: 	8 22 Ti chg: 0  deg: 1 exp: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13257,7 +13292,7 @@
 30: 	4 5->6 order: 3 conj?: 0 aromatic?: 0
 30: 	5 6->7 order: 1 conj?: 0 aromatic?: 0
 30: 	6 7->8 order: 2 conj?: 0 aromatic?: 0
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13266,7 +13301,7 @@
 30: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13275,7 +13310,7 @@
 30: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13284,7 +13319,7 @@
 30: Failed Expression: atomIdx1 != atomIdx2
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13293,7 +13328,7 @@
 30: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13302,9 +13337,9 @@
 30: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
 30: ****
 30: 
-30: [08:07:48] Explicit valence for atom # 0 B, 4, is greater than permitted
-30: [08:07:48] Explicit valence for atom # 0 B, 5, is greater than permitted
-30: [08:07:48] 
+30: [04:48:23] Explicit valence for atom # 0 B, 4, is greater than permitted
+30: [04:48:23] Explicit valence for atom # 0 B, 5, is greater than permitted
+30: [04:48:23] 
 30: 
 30: ****
 30: Post-condition Violation
@@ -13313,13 +13348,43 @@
 30: Failed Expression: anum > -1
 30: ****
 30: 
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test github381: thread-safe initialization of the periodic table
-4: static RDAny:0.027202 s
-30: [08:07:48]   done
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test github1041: Segfault for atom with no owner (expect some warnings)
-30: [08:07:48] 
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test github381: thread-safe initialization of the periodic table
+ 19/223 Test   #3: pyCoordGen .............................   Passed    0.74 sec
+test 31
+        Start  31: graphmolcpTest
+
+31: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest
+31: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+31: Test timeout computed to be: 1500
+31: 
+31: 
+31: 
+31: COPY
+ 20/223 Test  #19: testPyGeometry .........................   Passed    0.46 sec
+test 32
+        Start  32: graphmolqueryTest
+
+32: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest
+32: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+32: Test timeout computed to be: 1500
+ 21/223 Test  #31: graphmolcpTest .........................   Passed    0.04 sec
+test 33
+        Start  33: graphmolMolOpsTest
+
+33: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
+33: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+33: Test timeout computed to be: 1500
+23: .....
+23: ----------------------------------------------------------------------
+23: Ran 5 tests in 0.009s
+23: 
+23: OK
+23: Testing Alignment Wrapper code:
+30: [04:48:23]   done
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test github1041: Segfault for atom with no owner (expect some warnings)
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13328,7 +13393,7 @@
 30: Failed Expression: dp_mol
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13337,10 +13402,10 @@
 30: Failed Expression: dp_mol
 30: ****
 30: 
-30: [08:07:48]   done
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test github1041: Segfault for atom with no owner (expect some warnings)
-30: [08:07:48] 
+30: [04:48:23]   done
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test github1041: Segfault for atom with no owner (expect some warnings)
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13349,7 +13414,7 @@
 30: Failed Expression: dp_mol
 30: ****
 30: 
-30: [08:07:48] 
+30: [04:48:23] 
 30: 
 30: ****
 30: Pre-condition Violation
@@ -13358,93 +13423,75 @@
 30: Failed Expression: dp_mol
 30: ****
 30: 
-30: [08:07:48]   done
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test github1453: RWMol.clear() should reset the numBonds count.
-30: [08:07:48]   done
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test range-based for loops.
-30: [08:07:48]   done
-30: [08:07:48] -------------------------------------
-30: [08:07:48]     Test github1642: Atom index type is too low for big molecules.
- 19/223 Test  #14: pySparseIntVect ........................   Passed    0.36 sec
-test 31
-        Start  31: graphmolcpTest
-
-31: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest
-31: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-31: Test timeout computed to be: 1500
-25:   done
- 20/223 Test  #25: testUFFForceField ......................   Passed    0.23 sec
-test 32
-        Start  32: graphmolqueryTest
-
-32: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest
-32: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-32: Test timeout computed to be: 1500
-31: 
-31: 
-31: 
-31: COPY
- 21/223 Test  #15: pyFPB ..................................   Passed    0.38 sec
-test 33
-        Start  33: graphmolMolOpsTest
-
-33: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
-33: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-33: Test timeout computed to be: 1500
-32: [08:07:49] ---------------------- Test1
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test2
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test3
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test4
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test5
-32: [08:07:49] Done!
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test issue 2892580
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test github issue 53: query molecules not matching [R]
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test queries using qualifiers instead of ==
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test extra atom queries
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test extra bond queries
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test num heteroatom neighbor queries
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test atom type queries
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
-32: [08:07:49] Done!
-32: [08:07:49] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
-32: [08:07:49] Done!
- 22/223 Test  #31: graphmolcpTest .........................   Passed    0.03 sec
- 23/223 Test  #32: graphmolqueryTest ......................   Passed    0.03 sec
+30: [04:48:23]   done
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test github1453: RWMol.clear() should reset the numBonds count.
+30: [04:48:23]   done
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test range-based for loops.
+30: [04:48:23]   done
+30: [04:48:23] -------------------------------------
+30: [04:48:23]     Test github1642: Atom index type is too low for big molecules.
+32: [04:48:23] ---------------------- Test1
+ 22/223 Test  #15: pyFPB ..................................   Passed    0.57 sec
 test 34
         Start  34: graphmoltestChirality
 
 34: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality
 34: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 34: Test timeout computed to be: 1500
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test2
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test3
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test4
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test5
+32: [04:48:23] Done!
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test issue 2892580
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test github issue 53: query molecules not matching [R]
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test queries using qualifiers instead of ==
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test extra atom queries
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test extra bond queries
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test num heteroatom neighbor queries
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test atom type queries
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
+32: [04:48:23] Done!
+32: [04:48:23] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
+32: [04:48:23] Done!
+4: static RDAny:0.027508 s
+ 23/223 Test  #32: graphmolqueryTest ......................   Passed    0.06 sec
 test 35
         Start  35: graphmoltestPickler
 
 35: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler
 35: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 35: Test timeout computed to be: 1500
-23: .....
-23: ----------------------------------------------------------------------
-23: Ran 5 tests in 0.001s
-23: 
-23: OK
-23: Testing Alignment Wrapper code:
- 24/223 Test   #3: pyCoordGen .............................   Passed    0.47 sec
+33: 1 1 2 
+33: 1 1 1 
+33: 2 1 0.75 
+33: path: 2
+33: [04:48:23] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+33: [04:48:23] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 13 ignored
+33: [04:48:23] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+33: [04:48:23] Explicit valence for atom # 0 B, 5, is greater than permitted
+33: [04:48:23] Explicit valence for atom # 1 C, 5, is greater than permitted
+33: [04:48:23] Explicit valence for atom # 1 C, 5, is greater than permitted
+33: [04:48:23] Explicit valence for atom # 1 C, 5, is greater than permitted
+33: [04:48:23] Explicit valence for atom # 1 Si, 7, is greater than permitted
+25:   done
+ 24/223 Test  #25: testUFFForceField ......................   Passed    0.44 sec
 test 36
         Start  36: graphmoltestPicklerGlobalSetting
 
@@ -13454,52 +13501,97 @@
 34: --------------------------
 34: --------------------------
 34: C/C=C/C(C)Cl
-34: [08:07:49] Conflicting single bond directions around double bond at index 2.
-34: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-34: [08:07:49] Conflicting single bond directions around double bond at index 4.
-34: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-34: [08:07:49] Conflicting single bond directions around double bond at index 15.
-34: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-34: [08:07:49] Conflicting single bond directions around double bond at index 2.
-34: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-34: [08:07:49] Conflicting single bond directions around double bond at index 1.
-34: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-33: 1 1 2 
-33: 1 1 1 
-33: 2 1 0.75 
-33: path: 2
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing String Pickle Roundtrips.
-33: [08:07:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-33: [08:07:49] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 13 ignored
-33: [08:07:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-33: [08:07:49] Explicit valence for atom # 0 B, 5, is greater than permitted
-33: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-33: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-33: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-33: [08:07:49] Explicit valence for atom # 1 Si, 7, is greater than permitted
+34: [04:48:23] Conflicting single bond directions around double bond at index 2.
+34: [04:48:23]   BondStereo set to STEREONONE and single bond directions set to NONE.
+34: [04:48:23] Conflicting single bond directions around double bond at index 4.
+34: [04:48:23]   BondStereo set to STEREONONE and single bond directions set to NONE.
+34: [04:48:23] Conflicting single bond directions around double bond at index 15.
+34: [04:48:23]   BondStereo set to STEREONONE and single bond directions set to NONE.
+34: [04:48:23] Conflicting single bond directions around double bond at index 2.
+34: [04:48:23]   BondStereo set to STEREONONE and single bond directions set to NONE.
+34: [04:48:23] Conflicting single bond directions around double bond at index 1.
+34: [04:48:23]   BondStereo set to STEREONONE and single bond directions set to NONE.
+35: [04:48:23] -------------------------------------
+35: [04:48:23] Testing String Pickle Roundtrips.
 34: --------------------------------------------------
- 25/223 Test  #34: graphmoltestChirality ..................   Passed    0.04 sec
+ 25/223 Test  #34: graphmoltestChirality ..................   Passed    0.09 sec
 test 37
         Start  37: graphmolIterTest
 
 37: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolIterTest
 37: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 37: Test timeout computed to be: 1500
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing reading existing pickle file (v2).
-36: [08:07:49] 	done
- 26/223 Test  #36: graphmoltestPicklerGlobalSetting .......   Passed    0.04 sec
+36: [04:48:23] 	done
+ 26/223 Test  #23: pyAlignment ............................   Passed    0.53 sec
+ 27/223 Test  #36: graphmoltestPicklerGlobalSetting .......   Passed    0.05 sec
 test 38
         Start  38: hanoiTest
 
 38: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/hanoiTest
 38: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 38: Test timeout computed to be: 1500
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing combining molecules using pickles.
+test 39
+        Start  39: graphmolMemTest1
+
+39: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1
+39: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+39: Test timeout computed to be: 1500
+33: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
+ 28/223 Test  #37: graphmolIterTest .......................   Passed    0.05 sec
+test 40
+        Start  40: resMolSupplierTest
+
+40: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest
+40: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+40: Test timeout computed to be: 1500
+33: [04:48:24] non-ring atom 0 marked aromatic
+33: [04:48:24] non-ring atom 0 marked aromatic
+33: [04:48:24] Conflicting single bond directions around double bond at index 17.
+33: [04:48:24]   BondStereo set to STEREONONE and single bond directions set to NONE.
+33: starting ring finding
+33: done
+33: starting ring finding
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing reading existing pickle file (v2).
+ 29/223 Test  #39: graphmolMemTest1 .......................   Passed    0.04 sec
+test 41
+        Start  41: molBundleTest
+
+41: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest
+41: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+41: Test timeout computed to be: 1500
+33: done
+33: starting ring finding
+33: done
+33: 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
+33: starting sanitization
+33: done
+33: starting sanitization
+33: done
+33: starting ring finding
+33: done
+33: starting ring finding
+33: done
+33: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
+33: [04:48:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+33: -------------------------------
+33: [04:48:24] Explicit valence for atom # 0 N, 4, is greater than permitted
+ 30/223 Test  #41: molBundleTest ..........................   Passed    0.05 sec
+test 42
+        Start  42: testSGroup
+
+42: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup
+42: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+42: Test timeout computed to be: 1500
+33: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+33: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+33: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+33: [04:48:24] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+33: [04:48:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing combining molecules using pickles.
 35: Atoms:
 35: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0
 35: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0
@@ -13516,46 +13608,39 @@
 35: 	4 4->5 order: 1 conj?: 0 aromatic?: 0
 35: 	5 5->6 order: 1 conj?: 0 aromatic?: 0
 35: 	6 6->3 order: 1 conj?: 0 aromatic?: 0
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Issue164: Roundtrip Pickle Failure.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Issue219: Pickle Failure with Conformations.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Issue220: Pickle problems with bond stereochemistry.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing query serialization.
-35: [08:07:49] C=[$(C=O)]
-35: [08:07:49] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing radical handling in pickles.
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 2788233.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 3202580.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Issue164: Roundtrip Pickle Failure.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Issue219: Pickle Failure with Conformations.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Issue220: Pickle problems with bond stereochemistry.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing query serialization.
+35: [04:48:24] C=[$(C=O)]
+35: [04:48:24] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing radical handling in pickles.
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 2788233.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 3202580.
 35:   mass! 13.0034
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 3316407.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 3496759.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 3316407.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 3496759.
 35: smi match: *C *C
 35: smi match: **=* **=*
- 27/223 Test  #23: pyAlignment ............................   Passed    0.36 sec
-test 39
-        Start  39: graphmolMemTest1
-
-39: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1
-39: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-39: Test timeout computed to be: 1500
 35: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
 35: smi match: *OS(=O)OC *OS(=O)OC
 35: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
@@ -13577,6 +13662,13 @@
 35: smi match: N=O N=O
 35: smi match: ** **
 35: smi match: N=C=N N=C=N
+ 31/223 Test  #42: testSGroup .............................   Passed    0.05 sec
+test 43
+        Start  43: test-valgrind
+
+43: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind
+43: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+43: Test timeout computed to be: 1500
 35: smi match: [C-]#[NH+] [C-]#[NH+]
 35: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
 35: smi match: N#CC[OH] N#CC[OH]
@@ -13680,6 +13772,13 @@
 35: smi match: C=CN C=CN
 35: smi match: NOC=O NOC=O
 35: smi match: C1CN1 C1CN1
+ 32/223 Test  #43: test-valgrind ..........................   Passed    0.04 sec
+test 44
+        Start  44: graphmolTestsCatch
+
+44: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+44: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+44: Test timeout computed to be: 1500
 35: smi match: O=C1NNNN1 O=C1NNNN1
 35: smi match: N=C(N)C(=N)N N=C(N)C(=N)N
 35: smi match: N=C(N)O N=C(N)O
@@ -13725,14 +13824,6 @@
 35: smi match: OS(O)(O)O OS(O)(O)O
 35: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O
 35: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O
-33: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
- 28/223 Test  #37: graphmolIterTest .......................   Passed    0.05 sec
-test 40
-        Start  40: resMolSupplierTest
-
-40: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest
-40: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-40: Test timeout computed to be: 1500
 35: smi match: N#CS N#CS
 35: smi match: C=NO C=NO
 35: smi match: C=N[SH]=N C=N[SH]=N
@@ -13755,6 +13846,11 @@
 35: smi match: C=N[SH](=O)=O C=N[SH](=O)=O
 35: smi match: NN=O NN=O
 35: smi match: NC(=O)S NC(=O)S
+29: ......
+29: ----------------------------------------------------------------------
+29: Ran 6 tests in 0.001s
+29: 
+29: OK
 35: smi match: N#CS N#CS
 35: smi match: NC(=O)C(N)=O NC(=O)C(N)=O
 35: smi match: c=N c=N
@@ -13821,17 +13917,6 @@
 35: smi match: *C(*)(*)C=O *C(*)(*)C=O
 35: smi match: *C(*)(*)C=O *C(*)(*)C=O
 35: smi match: *C(*)C=O *C(*)C=O
-33: [08:07:49] non-ring atom 0 marked aromatic
-33: [08:07:49] non-ring atom 0 marked aromatic
-33: [08:07:49] Conflicting single bond directions around double bond at index 17.
-33: [08:07:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
- 29/223 Test  #39: graphmolMemTest1 .......................   Passed    0.03 sec
-test 41
-        Start  41: molBundleTest
-
-41: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest
-41: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-41: Test timeout computed to be: 1500
 35: smi match: *CC=O *CC=O
 35: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
 35: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
@@ -13863,6 +13948,16 @@
 35: smi match: C=CO C=CO
 35: smi match: * *
 35: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O
+27: ...[04:48:24] Molecule does not have explicit Hs. Consider calling AddHs()
+27: [04:48:24] 
+27: 
+27: ****
+27: Invariant Violation
+27: bad direction in linearSearch
+27: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
+27: Failed Expression: status >= 0
+27: ****
+27: 
 35: smi match: O=COn1ccnc1 O=COn1ccnc1
 35: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
 35: smi match: CC(C)(C)S CC(C)(C)S
@@ -13883,6 +13978,36 @@
 35: smi match: * *
 35: smi match: * *
 35: smi match: *N=C(*)* *N=C(*)*
+44: Randomness seeded to: 351457576
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] Explicit valence for atom # 1 N, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 1 N, 6, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 1 N, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 1 N, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 2 O, 3, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 2 O, 3, is greater than permitted
+44: [04:48:24] non-ring atom 2 marked aromatic
+44: [04:48:24] non-ring atom 2 marked aromatic
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+44: [04:48:24] Explicit valence for atom # 1 O, 3, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 4 F, 2, is greater than permitted
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 6 7 8
+44: [04:48:24] Explicit valence for atom # 1 C, 5, is greater than permitted
+44: [04:48:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+44: [04:48:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+44: [04:48:24] WARNING: not removing hydrogen atom with wedged bond
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
 35: smi match: *C(*)(*)C=O *C(*)(*)C=O
 35: smi match: CSC=O CSC=O
 35: smi match: * *
@@ -13910,6 +14035,11 @@
 35: smi match: *=CC#N *=CC#N
 35: smi match: *C[OH] *C[OH]
 35: smi match: ** **
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+44: [04:48:24] Unreasonable formal charge on hydrogen # 0.
+44: [04:48:24] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
+44: [04:48:24] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
 35: smi match: *C[OH] *C[OH]
 35: smi match: *C(*)=O *C(*)=O
 35: smi match: * *
@@ -13931,218 +14061,7 @@
 35: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
 35: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
 35: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
-33: starting ring finding
-33: done
-33: starting ring finding
-33: done
-33: starting ring finding
-33: done
-33: 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
-33: starting sanitization
-33: done
-33: starting sanitization
-35: smi match: *OC(*)=O *OC(*)=O
-35: smi match: *C(=O)[OH] *C(=O)[OH]
-35: smi match: O=C[OH] O=C[OH]
-35: smi match: *OC(=O)O* *OC(=O)O*
-35: smi match: * *
-35: smi match: *OC(=O)Cl *OC(=O)Cl
-35: smi match: *C#N *C#N
-35: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
-35: smi match: SS SS
-35: smi match: * *
-35: smi match: *=* *=*
-35: smi match: *=* *=*
-35: smi match: *=* *=*
-33: done
-33: starting ring finding
-33: done
-33: starting ring finding
-33: done
-33: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
-35: smi match: *=* *=*
-35: smi match: C1CO1 C1CO1
-35: smi match: *OC(*)=O *OC(*)=O
-35: smi match: * *
-35: smi match: *O*[OH] *O*[OH]
-35: smi match: COC(C)(C)O COC(C)(C)O
-35: smi match: *[OH] *[OH]
-35: smi match: ** **
-35: smi match: C=N[NH2] C=N[NH2]
-35: smi match: C=NC=O C=NC=O
-35: smi match: * *
-35: smi match: C#NC C#NC
-35: smi match: CN=C=O CN=C=O
-35: smi match: CN=C=S CN=C=S
-35: smi match: *OC(*)(*)O* *OC(*)(*)O*
-35: smi match: *C(*)=O *C(*)=O
-35: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
-35: smi match: *~*=O *~*=O
-35: smi match: *~*=O *~*=O
-35: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
-35: smi match: * *
-35: smi match: *C#N *C#N
-35: smi match: *N(=O)~O *N(=O)~O
-35: smi match: N N
-35: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
-35: smi match: C=NO C=NO
-35: smi match: O~O O~O
-35: smi match: c[OH] c[OH]
-35: smi match: O=P(~[OH])~O O=P(~[OH])~O
-35: smi match: CO~P(=O)~O CO~P(=O)~O
-35: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
-35: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
-35: smi match: O=P(~O)~O O=P(~O)~O
-35: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
-35: smi match: C[NH2] C[NH2]
-35: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
-35: smi match: * *
-35: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
-35: smi match: CS(C)~O CS(C)~O
-35: smi match: CS(C)(~O)~O CS(C)(~O)~O
-35: smi match: CS(N)(~O)~O CS(N)(~O)~O
-35: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
-35: smi match: COS(C)(~O)~O COS(C)(~O)~O
-35: smi match: *S(C)(~O)~O *S(C)(~O)~O
-35: smi match: CN(C)C CN(C)C
-35: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
-35: smi match: *C(*)=S *C(*)=S
-35: smi match: *OC(*)=S *OC(*)=S
-35: smi match: * *
-35: smi match: C[SH] C[SH]
-35: smi match: c[SH] c[SH]
-35: smi match: NC(N)=S NC(N)=S
-35: smi match: * *
-35: smi match: ***** *****
-35: smi match: NC(N)=O NC(N)=O
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 280.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing sf.net issue 285.
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Github2441: Add RDProps interface to Conformers.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Issue2510: Pickle Confs as double.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing loading pickled mols with conformers
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing conformer reading/writing options
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing property reading options
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing property reading options
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing boost::serialization integration
-35: [08:07:49] 	done
-35: [08:07:49] -------------------------------------
-35: [08:07:49] Testing github issue 6036
-33: [08:07:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-33: -------------------------------
-33: [08:07:49] Explicit valence for atom # 0 N, 4, is greater than permitted
-27: ...[08:07:49] Molecule does not have explicit Hs. Consider calling AddHs()
-27: [08:07:49] 
-27: 
-27: ****
-27: Invariant Violation
-27: bad direction in linearSearch
-27: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
-27: Failed Expression: status >= 0
-27: ****
-27: 
- 30/223 Test  #35: graphmoltestPickler ....................   Passed    0.13 sec
-test 42
-        Start  42: testSGroup
-
-42: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup
-42: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-42: Test timeout computed to be: 1500
-33: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-33: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-33: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-33: [08:07:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-33: [08:07:49] WARNING: not removing hydrogen atom with dummy atom neighbors
- 31/223 Test  #41: molBundleTest ..........................   Passed    0.04 sec
-test 43
-        Start  43: test-valgrind
-
-43: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind
-43: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-43: Test timeout computed to be: 1500
- 32/223 Test  #42: testSGroup .............................   Passed    0.05 sec
- 33/223 Test  #43: test-valgrind ..........................   Passed    0.03 sec
-test 44
-        Start  44: graphmolTestsCatch
-
-44: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-44: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-44: Test timeout computed to be: 1500
-test 45
-        Start  45: graphmolOrganometallicsCatch
-
-45: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
-45: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
-45: Test timeout computed to be: 1500
-29: ......
-29: ----------------------------------------------------------------------
-29: Ran 6 tests in 0.001s
-29: 
-29: OK
-4: dynamic RDAny:0.231801 s
-4: static RDValue:0 s
-44: Randomness seeded to: 1014390283
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 1 N, 6, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 2 O, 3, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 2 O, 3, is greater than permitted
-44: [08:07:49] non-ring atom 2 marked aromatic
-44: [08:07:49] non-ring atom 2 marked aromatic
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-44: [08:07:49] Explicit valence for atom # 1 O, 3, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 4 F, 2, is greater than permitted
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8
-44: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-44: [08:07:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-44: [08:07:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-44: [08:07:49] WARNING: not removing hydrogen atom with wedged bond
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] Unreasonable formal charge on hydrogen # 0.
-44: [08:07:49] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
-44: [08:07:49] batchEdit mode already enabled, ignoring additional call to beginBatchEdit()
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14151,7 +14070,7 @@
 44: Failed Expression: at
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14160,7 +14079,7 @@
 44: Failed Expression: dp_mol
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14169,7 +14088,7 @@
 44: Failed Expression: &at->getOwningMol() == this
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14178,7 +14097,7 @@
 44: Failed Expression: at
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14187,7 +14106,7 @@
 44: Failed Expression: dp_mol
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14196,7 +14115,7 @@
 44: Failed Expression: &at->getOwningMol() == this
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14205,7 +14124,7 @@
 44: Failed Expression: at
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14214,7 +14133,7 @@
 44: Failed Expression: dp_mol
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14223,7 +14142,7 @@
 44: Failed Expression: &at->getOwningMol() == this
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14232,7 +14151,7 @@
 44: Failed Expression: atom_pin
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14241,7 +14160,7 @@
 44: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14250,11 +14169,11 @@
 44: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
 44: ****
 44: 
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-44: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-44: [08:07:49] Explicit valence for atom # 1 F greater than permitted
-44: [08:07:49] 
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+44: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+44: [04:48:24] Explicit valence for atom # 1 F greater than permitted
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14263,7 +14182,7 @@
 44: Failed Expression: 0
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14272,7 +14191,7 @@
 44: Failed Expression: 0
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14281,7 +14200,7 @@
 44: Failed Expression: 0
 44: ****
 44: 
-44: [08:07:49] 
+44: [04:48:24] 
 44: 
 44: ****
 44: Pre-condition Violation
@@ -14290,261 +14209,382 @@
 44: Failed Expression: 0
 44: ****
 44: 
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Unusual charge on atom 0 number of radical electrons set to zero
-44: [08:07:49] Unusual charge on atom 0 number of radical electrons set to zero
-44: [08:07:49] Unusual charge on atom 0 number of radical electrons set to zero
-44: [08:07:49] non-ring atom 0 marked aromatic
-44: [08:07:49] non-ring atom 0 marked aromatic
-44: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 3 N, 4, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 15 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 11 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-44: [08:07:49] Explicit valence for atom # 9 C, 6, is greater than permitted
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 7
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 3
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 3 7
-44: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 3 7
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-45: Randomness seeded to: 1405107692
-45: ===============================================================================
-45: All tests passed (62 assertions in 6 test cases)
-45: 
- 34/223 Test  #45: graphmolOrganometallicsCatch ...........   Passed    0.04 sec
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+35: smi match: *OC(*)=O *OC(*)=O
+35: smi match: *C(=O)[OH] *C(=O)[OH]
+35: smi match: O=C[OH] O=C[OH]
+35: smi match: *OC(=O)O* *OC(=O)O*
+35: smi match: * *
+35: smi match: *OC(=O)Cl *OC(=O)Cl
+35: smi match: *C#N *C#N
+35: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
+35: smi match: SS SS
+35: smi match: * *
+35: smi match: *=* *=*
+35: smi match: *=* *=*
+35: smi match: *=* *=*
+35: smi match: *=* *=*
+35: smi match: C1CO1 C1CO1
+35: smi match: *OC(*)=O *OC(*)=O
+35: smi match: * *
+35: smi match: *O*[OH] *O*[OH]
+35: smi match: COC(C)(C)O COC(C)(C)O
+35: smi match: *[OH] *[OH]
+35: smi match: ** **
+35: smi match: C=N[NH2] C=N[NH2]
+35: smi match: C=NC=O C=NC=O
+35: smi match: * *
+35: smi match: C#NC C#NC
+35: smi match: CN=C=O CN=C=O
+35: smi match: CN=C=S CN=C=S
+35: smi match: *OC(*)(*)O* *OC(*)(*)O*
+35: smi match: *C(*)=O *C(*)=O
+35: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
+35: smi match: *~*=O *~*=O
+35: smi match: *~*=O *~*=O
+35: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
+35: smi match: * *
+35: smi match: *C#N *C#N
+35: smi match: *N(=O)~O *N(=O)~O
+35: smi match: N N
+35: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
+35: smi match: C=NO C=NO
+35: smi match: O~O O~O
+35: smi match: c[OH] c[OH]
+35: smi match: O=P(~[OH])~O O=P(~[OH])~O
+35: smi match: CO~P(=O)~O CO~P(=O)~O
+35: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
+35: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
+35: smi match: O=P(~O)~O O=P(~O)~O
+35: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
+35: smi match: C[NH2] C[NH2]
+44: [04:48:24] Unusual charge on atom 0 number of radical electrons set to zero
+44: [04:48:24] Unusual charge on atom 0 number of radical electrons set to zero
+44: [04:48:24] Unusual charge on atom 0 number of radical electrons set to zero
+44: [04:48:24] non-ring atom 0 marked aromatic
+44: [04:48:24] non-ring atom 0 marked aromatic
+44: [04:48:24] Explicit valence for atom # 1 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 9 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 3 N, 4, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 15 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 11 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 9 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 9 C, 5, is greater than permitted
+44: [04:48:24] Explicit valence for atom # 9 C, 6, is greater than permitted
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 7
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 3
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 3 7
+44: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 3 7
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+35: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
+35: smi match: * *
+35: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
+35: smi match: CS(C)~O CS(C)~O
+35: smi match: CS(C)(~O)~O CS(C)(~O)~O
+35: smi match: CS(N)(~O)~O CS(N)(~O)~O
+35: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
+35: smi match: COS(C)(~O)~O COS(C)(~O)~O
+35: smi match: *S(C)(~O)~O *S(C)(~O)~O
+35: smi match: CN(C)C CN(C)C
+35: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
+35: smi match: *C(*)=S *C(*)=S
+35: smi match: *OC(*)=S *OC(*)=S
+35: smi match: * *
+35: smi match: C[SH] C[SH]
+35: smi match: c[SH] c[SH]
+35: smi match: NC(N)=S NC(N)=S
+35: smi match: * *
+35: smi match: ***** *****
+35: smi match: NC(N)=O NC(N)=O
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 280.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing sf.net issue 285.
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Github2441: Add RDProps interface to Conformers.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Issue2510: Pickle Confs as double.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing loading pickled mols with conformers
+44: [04:48:24] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing conformer reading/writing options
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing property reading options
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing property reading options
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing boost::serialization integration
+35: [04:48:24] 	done
+35: [04:48:24] -------------------------------------
+35: [04:48:24] Testing github issue 6036
+ 33/223 Test  #35: graphmoltestPickler ....................   Passed    0.39 sec
+test 45
+        Start  45: graphmolOrganometallicsCatch
+
+45: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
+45: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
+45: Test timeout computed to be: 1500
+ 34/223 Test  #29: pyDistGeom .............................   Passed    0.57 sec
 test 46
         Start  46: graphmolSGroupCatch
 
 46: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
 46: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 46: Test timeout computed to be: 1500
-44: [08:07:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-4: dynamic RDValue:0.033448 s
-4: deleted!
-4: [08:07:49] -------------------------------------
-4: [08:07:49] Testing String Pickle Roundtrips.
-4: [08:07:49] 	done
-4: [08:07:49] -------------------------------------
-4: [08:07:49] Testing conversion of vect to string.
-4: [08:07:49] 	done
-4: [08:07:49] -------------------------------------
-4: [08:07:49] Testing returning const references.
-4: [08:07:49] any cast
-4: [08:07:49] done: 0.000768 300000
-4: [08:07:49] copy
-4: [08:07:49] done: 0.00081 300000
-4: [08:07:49] ref
-4: [08:07:49] done: 0.000775 300000
-4: [08:07:49] dict
-4: [08:07:49] done: 0.0019 300000
-4: [08:07:49] ref with hasVal
-4: [08:07:49] done: 0.001237 300000
-4: [08:07:49] 	done
-4: [08:07:49] -------------------------------------
-4: [08:07:49] Testing dict update.
-4: [08:07:49] 	done
-4: deleted!
-4: deleted!
-4: deleted!
-4: deleted!
-4: deleted!
-4: deleted!
- 35/223 Test   #4: testDict ...............................   Passed    0.69 sec
+44: [04:48:24] Explicit valence for atom # 1 O, 3, is greater than permitted
+44: [04:48:24] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+44: [04:48:24] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+44: [04:48:24] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+44: [04:48:24] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+44: ===============================================================================
+44: All tests passed (1630 assertions in 89 test cases)
+44: 
+ 35/223 Test  #44: graphmolTestsCatch .....................   Passed    0.16 sec
 test 47
         Start  47: graphmolAdjustQueryCatch
 
 47: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
 47: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 47: Test timeout computed to be: 1500
-44: [08:07:49] Explicit valence for atom # 1 O, 3, is greater than permitted
-44: [08:07:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-44: [08:07:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-44: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-44: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-44: ===============================================================================
-44: All tests passed (1630 assertions in 89 test cases)
-44: 
- 36/223 Test  #29: pyDistGeom .............................   Passed    0.39 sec
- 37/223 Test  #44: graphmolTestsCatch .....................   Passed    0.07 sec
+45: Randomness seeded to: 2696010456
+45: ===============================================================================
+45: All tests passed (62 assertions in 6 test cases)
+45: 
+ 36/223 Test  #45: graphmolOrganometallicsCatch ...........   Passed    0.07 sec
 test 48
         Start  48: chiralityTestsCatch
 
 48: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/chiralityTestsCatch
 48: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 48: Test timeout computed to be: 1500
+46: Randomness seeded to: 2032093144
+46: ===============================================================================
+46: All tests passed (120 assertions in 6 test cases)
+46: 
+ 37/223 Test  #46: graphmolSGroupCatch ....................   Passed    0.07 sec
 test 49
         Start  49: canonTestsCatch
 
 49: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/canonTestsCatch
 49: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 49: Test timeout computed to be: 1500
-46: Randomness seeded to: 726666081
-46: ===============================================================================
-46: All tests passed (120 assertions in 6 test cases)
-46: 
- 38/223 Test  #46: graphmolSGroupCatch ....................   Passed    0.05 sec
+4: dynamic RDAny:0.232198 s
+4: static RDValue:0 s
+48: Randomness seeded to: 79356591
+48: [04:48:24]  unable to set wavy bonds for double bonds: 3
+49: Randomness seeded to: 1375255948
+49: ===============================================================================
+49: All tests passed (137 assertions in 7 test cases)
+49: 
+ 38/223 Test  #49: canonTestsCatch ........................   Passed    0.04 sec
 test 50
         Start  50: moliteratorTestsCatch
 
 50: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
 50: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 50: Test timeout computed to be: 1500
-47: Randomness seeded to: 649729442
+47: Randomness seeded to: 1660957557
 47: ===============================================================================
 47: All tests passed (281 assertions in 10 test cases)
 47: 
- 39/223 Test  #47: graphmolAdjustQueryCatch ...............   Passed    0.05 sec
+48: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+48: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+ 39/223 Test  #47: graphmolAdjustQueryCatch ...............   Passed    0.11 sec
 test 51
         Start  51: queryTestsCatch
 
 51: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/queryTestsCatch
 51: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 51: Test timeout computed to be: 1500
-48: Randomness seeded to: 3603596524
-48: [08:07:49]  unable to set wavy bonds for double bonds: 3
-49: Randomness seeded to: 2960211250
-49: ===============================================================================
-49: All tests passed (137 assertions in 7 test cases)
-49: 
- 40/223 Test  #49: canonTestsCatch ........................   Passed    0.05 sec
+50: Randomness seeded to: 1090794079
+50: ===============================================================================
+50: All tests passed (14 assertions in 4 test cases)
+50: 
+48: [04:48:24] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+48: [04:48:24] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+48: [04:48:24] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
+48: [04:48:24] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
+48: [04:48:24] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
+48: ===============================================================================
+48: All tests passed (1845 assertions in 63 test cases)
+48: 
+ 40/223 Test  #48: chiralityTestsCatch ....................   Passed    0.12 sec
+ 41/223 Test  #50: moliteratorTestsCatch ..................   Passed    0.06 sec
 test 52
         Start  52: molbundleTestsCatch
 
 52: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/molbundleTestsCatch
 52: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 52: Test timeout computed to be: 1500
-48: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-48: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-51: Randomness seeded to: 1257650586
-51: ===============================================================================
-51: All tests passed (10 assertions in 1 test case)
-51: 
-50: Randomness seeded to: 1598638788
-50: ===============================================================================
-50: All tests passed (14 assertions in 4 test cases)
-50: 
- 41/223 Test  #50: moliteratorTestsCatch ..................   Passed    0.04 sec
- 42/223 Test  #51: queryTestsCatch ........................   Passed    0.02 sec
 test 53
         Start  53: pickleTestsCatch
 
 53: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/pickleTestsCatch
 53: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol
 53: Test timeout computed to be: 1500
+27: ......[04:48:24] Molecule does not have explicit Hs. Consider calling AddHs()
+27: [04:48:24] 
+27: 
+27: ****
+27: Invariant Violation
+27: bad direction in linearSearch
+27: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
+27: Failed Expression: status >= 0
+27: ****
+27: 
+51: Randomness seeded to: 167404481
+51: ===============================================================================
+51: All tests passed (10 assertions in 1 test case)
+51: 
+4: dynamic RDValue:0.033607 s
+4: deleted!
+4: [04:48:24] -------------------------------------
+4: [04:48:24] Testing String Pickle Roundtrips.
+4: [04:48:24] 	done
+4: [04:48:24] -------------------------------------
+4: [04:48:24] Testing conversion of vect to string.
+4: [04:48:24] 	done
+4: [04:48:24] -------------------------------------
+4: [04:48:24] Testing returning const references.
+4: [04:48:24] any cast
+4: [04:48:24] done: 0.000767 300000
+4: [04:48:24] copy
+4: [04:48:24] done: 0.000831 300000
+4: [04:48:24] ref
+4: [04:48:24] done: 0.000768 300000
+4: [04:48:24] dict
+4: [04:48:24] done: 0.001915 300000
+4: [04:48:24] ref with hasVal
+33: [04:48:24] Maximum BFS search size exceeded.
+33: This is likely due to a highly symmetric fused ring system.
+52: Randomness seeded to: 1782730244
+52: ===============================================================================
+52: All tests passed (6 assertions in 1 test case)
+52: 
+ 42/223 Test  #51: queryTestsCatch ........................   Passed    0.07 sec
+ 43/223 Test  #52: molbundleTestsCatch ....................   Passed    0.04 sec
 test 54
         Start  54: smiTest1
 
 54: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
 54: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 54: Test timeout computed to be: 1500
-48: [08:07:49] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-48: [08:07:49] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-48: [08:07:49] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
-48: [08:07:49] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored
-48: [08:07:49] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
-48: ===============================================================================
-48: All tests passed (1845 assertions in 63 test cases)
-48: 
-52: Randomness seeded to: 964348720
-52: ===============================================================================
-52: All tests passed (6 assertions in 1 test case)
-52: 
- 43/223 Test  #48: chiralityTestsCatch ....................   Passed    0.09 sec
- 44/223 Test  #52: molbundleTestsCatch ....................   Passed    0.03 sec
 test 55
         Start  55: smiTest2
 
 55: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
 55: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 55: Test timeout computed to be: 1500
+4: [04:48:24] done: 0.001266 300000
+4: [04:48:24] 	done
+4: [04:48:24] -------------------------------------
+4: [04:48:24] Testing dict update.
+4: [04:48:24] 	done
+4: deleted!
+4: deleted!
+4: deleted!
+4: deleted!
+4: deleted!
+4: deleted!
+53: Randomness seeded to: 3411788111
+53: ===============================================================================
+53: All tests passed (34 assertions in 1 test case)
+53: 
+ 44/223 Test   #4: testDict ...............................   Passed    1.47 sec
+ 45/223 Test  #53: pickleTestsCatch .......................   Passed    0.07 sec
 test 56
         Start  56: cxsmilesTest
 
 56: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
 56: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 56: Test timeout computed to be: 1500
-53: Randomness seeded to: 4020441923
-53: ===============================================================================
-53: All tests passed (34 assertions in 1 test case)
-53: 
-33: [08:07:49] Maximum BFS search size exceeded.
-33: This is likely due to a highly symmetric fused ring system.
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-55: [08:07:49] SMILES Parse Error: syntax error while parsing: -
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-55: [08:07:49] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
-55: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
- 45/223 Test  #53: pickleTestsCatch .......................   Passed    0.05 sec
- 46/223 Test  #55: smiTest2 ...............................   Passed    0.02 sec
 test 57
         Start  57: smaTest1
 
 57: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
 57: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 57: Test timeout computed to be: 1500
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+55: [04:48:24] SMILES Parse Error: syntax error while parsing: -
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+55: [04:48:24] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
+55: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] WARNING: not removing hydrogen atom without neighbors
+54: [04:48:24] Invalid chiral specification on atom 0
+54: [04:48:24] Invalid chiral specification on atom 0
+54: [04:48:24] Invalid chiral specification on atom 0
+54: [04:48:24] Invalid chiral specification on atom 0
+54: [04:48:24] Invalid chiral specification on atom 0
+54: [04:48:24] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
+54: [04:48:24] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
+ 46/223 Test  #55: smiTest2 ...............................   Passed    0.07 sec
 test 58
         Start  58: smiTestCatch
 
 58: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
 58: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 58: Test timeout computed to be: 1500
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] WARNING: not removing hydrogen atom without neighbors
-54: [08:07:49] Invalid chiral specification on atom 0
-54: [08:07:49] Invalid chiral specification on atom 0
-54: [08:07:49] Invalid chiral specification on atom 0
-54: [08:07:49] Invalid chiral specification on atom 0
-54: [08:07:49] Invalid chiral specification on atom 0
-54: [08:07:49] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
-54: [08:07:49] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
-27: ......[08:07:49] Molecule does not have explicit Hs. Consider calling AddHs()
-27: [08:07:49] 
-27: 
-27: ****
-27: Invariant Violation
-27: bad direction in linearSearch
-27: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h
-27: Failed Expression: status >= 0
-27: ****
-27: 
-58: Randomness seeded to: 3523750133
-58: [08:07:49] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-58: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-58: [08:07:49] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
-58: [08:07:49] SMARTS Parse Error: unclosed ring for input: 'C1C'
-58: [08:07:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-58: [08:07:49] SMARTS Parse Error: syntax error while parsing: C)foo
-58: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
-58: [08:07:49] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
-58: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
-58: [08:07:49] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
+58: Randomness seeded to: 3011262604
+58: [04:48:24] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+58: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+58: [04:48:24] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
 54: --C1CCC2(CC1)CCCCC2CCC1CCCC1
+58: [04:48:24] SMARTS Parse Error: unclosed ring for input: 'C1C'
+58: [04:48:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+58: [04:48:24] SMARTS Parse Error: syntax error while parsing: C)foo
+58: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
+58: [04:48:24] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
+58: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
+27: ...
+27: ----------------------------------------------------------------------
+27: Ran 12 tests in 0.655s
+27: 
+27: OK
+58: [04:48:24] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
 54: smi: ClC1CCCCC1
 54: smi: ClC1CCCCC1
 54: smi: ClC1CCCCC1Br
@@ -14558,65 +14598,65 @@
 54: CbC(bC)aC
 54: O.C
 54: 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
-54: [08:07:49] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
-54: [08:07:49] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
-54: [08:07:49] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
-54: [08:07:49] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
-54: [08:07:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-54: [08:07:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-54: [08:07:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-54: [08:07:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-54: [08:07:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-54: [08:07:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-54: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
+54: [04:48:24] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
+54: [04:48:24] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
+54: [04:48:24] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+54: [04:48:24] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+54: [04:48:24] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+54: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
 54: C=c1s/c2n(c1=O)CCCCCCC\N=2
 54: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
-54: [08:07:49] SMILES Parse Error: extra close parentheses while parsing: C)
-54: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
- 47/223 Test  #54: smiTest1 ...............................   Passed    0.15 sec
+54: [04:48:24] SMILES Parse Error: extra close parentheses while parsing: C)
+54: [04:48:24] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
+ 47/223 Test  #54: smiTest1 ...............................   Passed    0.22 sec
 test 59
         Start  59: nontetrahedralCatch
 
 59: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
 59: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse
 59: Test timeout computed to be: 1500
-57: [08:07:49] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
-57: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
-57: [08:07:49] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
-57: [08:07:49] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
-59: Randomness seeded to: 844219057
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-57: [08:07:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-57: [08:07:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
- 48/223 Test  #57: smaTest1 ...............................   Passed    0.12 sec
+59: Randomness seeded to: 3981801346
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+57: [04:48:24] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
+57: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
+57: [04:48:24] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
+57: [04:48:24] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
+57: [04:48:24] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+57: [04:48:24] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+58: [04:48:24] w block attempts to set wedging on bond 0 more than once.
+58: [04:48:24] improperly formatted w block
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+59: [04:48:24] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+58: [04:48:24] atom 3 is not associated with bond 1 in w block
+ 48/223 Test  #57: smaTest1 ...............................   Passed    0.23 sec
 test 60
         Start  60: testDepictor
 
 60: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor
 60: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor
 60: Test timeout computed to be: 1500
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-58: [08:07:49] w block attempts to set wedging on bond 0 more than once.
-58: [08:07:49] improperly formatted w block
-58: [08:07:49] atom 3 is not associated with bond 1 in w block
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-59: [08:07:49] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
+59: [04:48:24] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
 59: ===============================================================================
 59: All tests passed (308 assertions in 9 test cases)
 59: 
- 49/223 Test  #59: nontetrahedralCatch ....................   Passed    0.03 sec
+ 49/223 Test  #59: nontetrahedralCatch ....................   Passed    0.09 sec
 test 61
         Start  61: depictorCatch
 
@@ -14626,48 +14666,27 @@
 58: ===============================================================================
 58: All tests passed (1516 assertions in 53 test cases)
 58: 
- 50/223 Test  #58: smiTestCatch ...........................   Passed    0.15 sec
+ 50/223 Test  #58: smiTestCatch ...........................   Passed    0.24 sec
 test 62
         Start  62: pyDepictor
 
 62: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/testDepictor.py"
 62: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap
 62: Test timeout computed to be: 1500
-61: Randomness seeded to: 2029713036
-61: ===============================================================================
-61: All tests passed (571 assertions in 14 test cases)
-61: 
- 51/223 Test  #61: depictorCatch ..........................   Passed    0.08 sec
+ 51/223 Test  #27: pyForceFieldConstraints ................   Passed    1.35 sec
 test 63
         Start  63: testMrvToMol
 
 63: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
 63: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse
 63: Test timeout computed to be: 1500
-33: [08:07:49] Maximum BFS search size exceeded.
+33: [04:48:24] Maximum BFS search size exceeded.
 33: This is likely due to a highly symmetric fused ring system.
-27: ...
-27: ----------------------------------------------------------------------
-27: Ran 12 tests in 0.533s
-27: 
-27: OK
 33: F/C=C/Cl
 33: [H]/C(F)=C(/[H])Cl
 33: F/C=C/Cl
 33: F/C=C/Cl
 33: C/C(F)=C(/C)Cl
- 52/223 Test  #33: graphmolMolOpsTest .....................   Passed    0.65 sec
-test 64
-        Start  64: fileParsersTest1
-
-64: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-64: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-64: Test timeout computed to be: 1500
-64: ***************************************
-64: ***************************************
-64: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [08:07:49] bond with order 0 found on line 7. This is not part of the MDL specification.
 63: Using new chirality perception
 63: Test
 63: 
@@ -14697,26 +14716,38 @@
 63: 
 63:  ProblemShort.mol
 63: 
-64: [08:07:49] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-64: [08:07:49] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-64: [08:07:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-63: [08:07:49] For a MultipleSgroup expansion, the matching orphaned bond was not found
+63: [04:48:24] For a MultipleSgroup expansion, the matching orphaned bond was not found
 63: The multiple sgroup will be ignored
-60: [08:07:49] Warning: stereochemistry around double bond may be incorrect in depiction.
-64: generating smiles
-64: 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
-64: converting back
-64: check isomorphism
- 53/223 Test  #27: pyForceFieldConstraints ................   Passed    1.02 sec
+61: Randomness seeded to: 4241178033
+61: ===============================================================================
+61: All tests passed (571 assertions in 14 test cases)
+61: 
+ 52/223 Test  #33: graphmolMolOpsTest .....................   Passed    1.16 sec
+test 64
+        Start  64: fileParsersTest1
+
+64: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+64: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+64: Test timeout computed to be: 1500
+ 53/223 Test  #61: depictorCatch ..........................   Passed    0.19 sec
 test 65
         Start  65: testMolSupplier
 
 65: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
 65: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 65: Test timeout computed to be: 1500
-65: [08:07:49] 
+64: ***************************************
+64: ***************************************
+65: [04:48:25] 
 65: -----------------------------------------
-65: [08:07:49] 
+64: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [04:48:25] bond with order 0 found on line 7. This is not part of the MDL specification.
+64: [04:48:25] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+64: [04:48:25] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+64: [04:48:25] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+64: generating smiles
+65: [04:48:25] 
 65: 
 65: ****
 65: Invariant Violation
@@ -14725,280 +14756,9 @@
 65: Failed Expression: nSwaps < 2
 65: ****
 65: 
- 54/223 Test  #60: testDepictor ...........................   Passed    0.34 sec
-test 66
-        Start  66: testGeneralFileReader
-
-66: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
-66: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-66: Test timeout computed to be: 1500
-66: [08:07:49] 
-66: -----------------------------------------
-66: [08:07:49] Finished: testDetermineFormat()
-66: [08:07:49] -----------------------------------------
-66: 
-66: [08:07:49] 
-66: -----------------------------------------
-65: [08:07:49] Finished: testMolSup()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testRandMolSup()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSmilesSup()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ------------------------------------------------------
-65: [08:07:49] SMILES Parse Error: syntax error while parsing: fail
-65: [08:07:49] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-65: [08:07:49] ERROR: Smiles parse error on line 3
-65: [08:07:49] ERROR: Cannot create molecule from : 'fail'
-65: [08:07:49] ------------------------------------------------------
-65: [08:07:49] ------------------------------------------------------
-65: [08:07:49] >>> This may result in an infinite loop.  It should finish almost immediately:
-65: [08:07:49] <<< done.
-65: [08:07:49] Finished: testSmilesSupFromText()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSmilesWriter()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-66: [08:07:49] Finished: testSdf()
-66: [08:07:49] -----------------------------------------
-66: 
-66: [08:07:49] 
-66: -----------------------------------------
-65: [08:07:49] Finished: testSDWriter()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSDSupplierEnding()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSuppliersEmptyFile()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testCisTrans()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-66: [08:07:49] Finished: testSmi()
-66: [08:07:49] -----------------------------------------
-66: 
-66: [08:07:49] 
-66: -----------------------------------------
-65: [08:07:49] Finished: testStereoRound()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-65: [08:07:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-65: [08:07:49] Finished: testIssue226()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testTDTSupplier1()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testTDTSupplier2()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testTDTSupplier3()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSDSupplierFromText()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Spurious data before the first property will be ignored
-65: [08:07:49] Property <ID> will be truncated after the first blank line
-56: Randomness seeded to: 125100940
-56: ===============================================================================
-56: All tests passed (1902 assertions in 21 test cases)
-56: 
-65: [08:07:49] Property <ID> will be truncated after the first blank line
-65: [08:07:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-65: [08:07:49] Finished: testSDSupplierStrLax1()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-65: [08:07:49] Finished: testSDSupplierStrLax2()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Spurious data before the first property will be ignored
-65: [08:07:49] Property <ID> will be truncated after the first blank line
-65: [08:07:49] Property <ID> will be truncated after the first blank line
-65: [08:07:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-65: [08:07:49] Finished: testSDSupplierFromTextStrLax1()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: Problems encountered parsing data fields
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-65: [08:07:49] Finished: testSDSupplierFromTextStrLax2()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testIssue265()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: End of data field name not found
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Explicit valence for atom # 0 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule ending on line 16
-65: [08:07:49] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] ERROR: Bond line too short: 'M  END' on line 18
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Finished: testSDErrorHandling()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testIssue381()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
- 55/223 Test  #56: cxsmilesTest ...........................   Passed    0.57 sec
-test 67
-        Start  67: testMultithreadedMolSupplier
-
-67: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
-67: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-67: Test timeout computed to be: 1500
-65: [08:07:49] Finished: testSetStreamIndices()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testMixIterAndRandom()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: build:
-65: [08:07:49] Finished: testRemoveHs()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testGetItemText()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-67: [08:07:49] 
-67: -----------------------------------------
-65: [08:07:49] Finished: testForwardSDSupplier()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testMissingCRSDSupplier()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testIssue3482695()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] ERROR: Cannot convert 'foo' to unsigned int on line 557
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Finished: testIssue3525673()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testBlankLinesInProps()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testSkipLines()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testGitHub23()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testGitHub88()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testGitHub2285()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-65: [08:07:49] ERROR: Smiles parse error on line 1
-65: [08:07:49] ERROR: Cannot create molecule from : 'c1ccccc'
-65: [08:07:49] SMILES Parse Error: extra open parentheses for input: 'C(C'
-65: [08:07:49] ERROR: Smiles parse error on line 3
-65: [08:07:49] ERROR: Cannot create molecule from : 'C(C'
-65: [08:07:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule on line 5
-65: [08:07:49] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-65: [08:07:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule ending on line 21
-65: [08:07:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule ending on line 21
-65: [08:07:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule ending on line 21
-65: [08:07:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Atom line too short: '   -9.6' on line 28
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Could not sanitize molecule ending on line 21
-65: [08:07:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-65: [08:07:49] ERROR: Atom line too short: '   -9.6' on line 28
-65: [08:07:49] ERROR: moving to the beginning of the next molecule
-65: [08:07:49] Finished: testGitHub2479()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] 
-65: 
-65: ****
-65: Invariant Violation
-65: bad chiral bond
-65: Violation occurred on line 164 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-65: Failed Expression: bnd
-65: ****
-65: 
-65: [08:07:49] Finished: testGitHub2881()
-65: [08:07:49] -----------------------------------------
-65: 
-65: [08:07:49] -----------------------------------------
-65: [08:07:49] Finished: testGitHub3517()
-65: [08:07:49] -----------------------------------------
-65: 
- 56/223 Test  #65: testMolSupplier ........................   Passed    0.19 sec
-test 68
-        Start  68: testMolWriter
-
-68: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
-68: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-68: Test timeout computed to be: 1500
+64: 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
+64: converting back
+64: check isomorphism
 63: Test
 63: 
 63:  lostStereoAnd.sdf
@@ -15279,8 +15039,8 @@
 63: 
 63:  MulticenterSgroup.mrv
 63: 
-63: [08:07:50] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-63: [08:07:50] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+63: [04:48:25] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+63: [04:48:25] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
 63: Test
 63: 
 63:  GenericSgroup.mrv
@@ -15313,7 +15073,7 @@
 63: 
 63:  MarvinBadMissingMolID.mrv
 63: 
-63: [08:07:50] 
+63: [04:48:25] 
 63: 
 63: ****
 63: Test Assert
@@ -15448,21 +15208,7 @@
 63:  MarvinBadSupMissingAttachOrder.mrv
 63: 
 63: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
-66: [08:07:50] Finished: testMae()
-66: [08:07:50] -----------------------------------------
-66: 
-66: [08:07:50] 
-66: -----------------------------------------
-66: [08:07:50] Finished: testTdt()
-66: [08:07:50] -----------------------------------------
-66: 
- 57/223 Test  #66: testGeneralFileReader ..................   Passed    0.22 sec
-test 69
-        Start  69: testTplParser
-
-69: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
-69: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-69: Test timeout computed to be: 1500
+60: [04:48:25] Warning: stereochemistry around double bond may be incorrect in depiction.
 63: Test
 63: 
 63:  marvin03.mrv
@@ -15507,24 +15253,7 @@
 63: 
 63:  EmptyRxn.mrv
 63: 
-63: [08:07:50] initialization failed
-68: [08:07:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
- 58/223 Test  #69: testTplParser ..........................   Passed    0.05 sec
-test 70
-        Start  70: testMol2ToMol
-
-70: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
-70: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-70: Test timeout computed to be: 1500
-68: [08:07:50] bond with order 0 found on line 11. This is not part of the MDL specification.
-68: [08:07:50] bond with order 0 found on line 16. This is not part of the MDL specification.
- 59/223 Test  #68: testMolWriter ..........................   Passed    0.13 sec
-test 71
-        Start  71: testSequence
-
-71: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence
-71: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-71: Test timeout computed to be: 1500
+63: [04:48:25] initialization failed
 63: Test
 63: 
 63:  RxnNoCoords.mrv
@@ -15609,7 +15338,310 @@
 63: 
 63:  Smiles1
 63: 
- 60/223 Test  #63: testMrvToMol ...........................   Passed    0.54 sec
+65: [04:48:25] Finished: testMolSup()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testRandMolSup()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+ 54/223 Test  #63: testMrvToMol ...........................   Passed    0.40 sec
+test 66
+        Start  66: testGeneralFileReader
+
+66: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
+66: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+66: Test timeout computed to be: 1500
+ 55/223 Test  #60: testDepictor ...........................   Passed    0.48 sec
+test 67
+        Start  67: testMultithreadedMolSupplier
+
+67: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
+67: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+67: Test timeout computed to be: 1500
+66: [04:48:25] 
+66: -----------------------------------------
+66: [04:48:25] Finished: testDetermineFormat()
+66: [04:48:25] -----------------------------------------
+66: 
+66: [04:48:25] 
+66: -----------------------------------------
+65: [04:48:25] Finished: testSmilesSup()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ------------------------------------------------------
+65: [04:48:25] SMILES Parse Error: syntax error while parsing: fail
+65: [04:48:25] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+65: [04:48:25] ERROR: Smiles parse error on line 3
+65: [04:48:25] ERROR: Cannot create molecule from : 'fail'
+65: [04:48:25] ------------------------------------------------------
+65: [04:48:25] ------------------------------------------------------
+65: [04:48:25] >>> This may result in an infinite loop.  It should finish almost immediately:
+65: [04:48:25] <<< done.
+65: [04:48:25] Finished: testSmilesSupFromText()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testSmilesWriter()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+67: [04:48:25] 
+67: -----------------------------------------
+65: [04:48:25] Finished: testSDWriter()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testSDSupplierEnding()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testSuppliersEmptyFile()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testCisTrans()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testStereoRound()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+65: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+65: [04:48:25] Finished: testIssue226()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testTDTSupplier1()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testTDTSupplier2()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testTDTSupplier3()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testSDSupplierFromText()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Spurious data before the first property will be ignored
+65: [04:48:25] Property <ID> will be truncated after the first blank line
+65: [04:48:25] Property <ID> will be truncated after the first blank line
+65: [04:48:25] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+65: [04:48:25] Finished: testSDSupplierStrLax1()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+65: [04:48:25] Finished: testSDSupplierStrLax2()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Spurious data before the first property will be ignored
+65: [04:48:25] Property <ID> will be truncated after the first blank line
+65: [04:48:25] Property <ID> will be truncated after the first blank line
+65: [04:48:25] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+65: [04:48:25] Finished: testSDSupplierFromTextStrLax1()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: Problems encountered parsing data fields
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+65: [04:48:25] Finished: testSDSupplierFromTextStrLax2()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testIssue265()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: End of data field name not found
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Explicit valence for atom # 0 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule ending on line 16
+65: [04:48:25] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] ERROR: Bond line too short: 'M  END' on line 18
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Finished: testSDErrorHandling()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testIssue381()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+66: [04:48:25] Finished: testSdf()
+66: [04:48:25] -----------------------------------------
+66: 
+66: [04:48:25] 
+66: -----------------------------------------
+65: [04:48:25] Finished: testSetStreamIndices()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testMixIterAndRandom()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: build:
+65: [04:48:25] Finished: testRemoveHs()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testGetItemText()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+66: [04:48:25] Finished: testSmi()
+66: [04:48:25] -----------------------------------------
+66: 
+66: [04:48:25] 
+66: -----------------------------------------
+65: [04:48:25] Finished: testForwardSDSupplier()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testMissingCRSDSupplier()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testIssue3482695()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] ERROR: Cannot convert 'foo' to unsigned int on line 557
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Finished: testIssue3525673()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+56: Randomness seeded to: 4222970139
+56: ===============================================================================
+56: All tests passed (1902 assertions in 21 test cases)
+56: 
+65: [04:48:25] Finished: testBlankLinesInProps()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testSkipLines()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testGitHub23()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testGitHub88()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+ 56/223 Test  #56: cxsmilesTest ...........................   Passed    0.89 sec
+test 68
+        Start  68: testMolWriter
+
+68: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
+68: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+68: Test timeout computed to be: 1500
+65: [04:48:25] Finished: testGitHub2285()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+65: [04:48:25] ERROR: Smiles parse error on line 1
+65: [04:48:25] ERROR: Cannot create molecule from : 'c1ccccc'
+65: [04:48:25] SMILES Parse Error: extra open parentheses for input: 'C(C'
+65: [04:48:25] ERROR: Smiles parse error on line 3
+65: [04:48:25] ERROR: Cannot create molecule from : 'C(C'
+65: [04:48:25] Explicit valence for atom # 1 C, 5, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule on line 5
+65: [04:48:25] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+65: [04:48:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule ending on line 21
+65: [04:48:25] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule ending on line 21
+65: [04:48:25] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule ending on line 21
+65: [04:48:25] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Atom line too short: '   -9.6' on line 28
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Could not sanitize molecule ending on line 21
+65: [04:48:25] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+65: [04:48:25] ERROR: Atom line too short: '   -9.6' on line 28
+65: [04:48:25] ERROR: moving to the beginning of the next molecule
+65: [04:48:25] Finished: testGitHub2479()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] 
+65: 
+65: ****
+65: Invariant Violation
+65: bad chiral bond
+65: Violation occurred on line 164 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+65: Failed Expression: bnd
+65: ****
+65: 
+65: [04:48:25] Finished: testGitHub2881()
+65: [04:48:25] -----------------------------------------
+65: 
+65: [04:48:25] -----------------------------------------
+65: [04:48:25] Finished: testGitHub3517()
+65: [04:48:25] -----------------------------------------
+65: 
+ 57/223 Test  #65: testMolSupplier ........................   Passed    0.46 sec
+test 69
+        Start  69: testTplParser
+
+69: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
+69: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+69: Test timeout computed to be: 1500
+ 58/223 Test  #69: testTplParser ..........................   Passed    0.05 sec
+test 70
+        Start  70: testMol2ToMol
+
+70: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
+70: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+70: Test timeout computed to be: 1500
+66: [04:48:25] Finished: testMae()
+66: [04:48:25] -----------------------------------------
+66: 
+66: [04:48:25] 
+66: -----------------------------------------
+66: [04:48:25] Finished: testTdt()
+66: [04:48:25] -----------------------------------------
+66: 
+ 59/223 Test  #66: testGeneralFileReader ..................   Passed    0.29 sec
+test 71
+        Start  71: testSequence
+
+71: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence
+71: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+71: Test timeout computed to be: 1500
+ 60/223 Test  #70: testMol2ToMol ..........................   Passed    0.06 sec
 test 72
         Start  72: testExtendedStereoParsing
 
@@ -16600,69 +16632,40 @@
 71: CONECT   27   28   28   29
 71: END
 71: 
- 61/223 Test  #71: testSequence ...........................   Passed    0.03 sec
+ 61/223 Test  #71: testSequence ...........................   Passed    0.10 sec
+ 62/223 Test  #72: testExtendedStereoParsing ..............   Passed    0.06 sec
 test 73
         Start  73: fileParsersCatchTest
 
 73: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 73: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 73: Test timeout computed to be: 1500
- 62/223 Test  #70: testMol2ToMol ..........................   Passed    0.06 sec
 test 74
         Start  74: testPropertyLists
 
 74: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
 74: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
 74: Test timeout computed to be: 1500
- 63/223 Test  #72: testExtendedStereoParsing ..............   Passed    0.04 sec
-test 75
-        Start  75: XYZFileParserCatchTest
-
-75: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
-75: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-75: Test timeout computed to be: 1500
-74: Randomness seeded to: 3345907166
-74: ===============================================================================
-74: All tests passed (95 assertions in 4 test cases)
-74: 
-75: Randomness seeded to: 1503158354
-75: ===============================================================================
-75: All tests passed (100 assertions in 2 test cases)
-75: 
-73: Randomness seeded to: 2856924949
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
- 64/223 Test  #74: testPropertyLists ......................   Passed    0.04 sec
- 65/223 Test  #75: XYZFileParserCatchTest .................   Passed    0.02 sec
-test 76
-        Start  76: cdxmlParserCatchTest
-
-76: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
-76: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-76: Test timeout computed to be: 1500
-test 77
-        Start  77: molfileStereoCatchTest
-
-77: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
-77: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-77: Test timeout computed to be: 1500
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-73: [08:07:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-73: [08:07:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
-73: [08:07:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-73: [08:07:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-73: [08:07:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup 3 referenced on line 40 not found.
-73: [08:07:50] 
+73: Randomness seeded to: 2965640667
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+73: [04:48:25] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+73: [04:48:25] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
+73: [04:48:25] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+73: [04:48:25] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+73: [04:48:25] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup 3 referenced on line 40 not found.
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16671,8 +16674,8 @@
 73: Failed Expression: !d_bonds.empty()
 73: ****
 73: 
-73: [08:07:50] SGroup 3 referenced on line 40 not found.
-73: [08:07:50] 
+73: [04:48:25] SGroup 3 referenced on line 40 not found.
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16681,13 +16684,13 @@
 73: Failed Expression: !d_bonds.empty()
 73: ****
 73: 
-73: [08:07:50] no bonds
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup line too short: 'M  SBV   1   6' on line 42
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
-73: [08:07:50] SGroup 2 is invalid and will be ignored
-73: [08:07:50] 
+73: [04:48:25] no bonds
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup line too short: 'M  SBV   1   6' on line 42
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
+73: [04:48:25] SGroup 2 is invalid and will be ignored
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16696,7 +16699,7 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16705,8 +16708,8 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16715,9 +16718,9 @@
 73: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end()
 73: ****
 73: 
-73: [08:07:50] bond is not part of the SubstanceGroup
-73: [08:07:50] SGroup 2 is invalid and will be ignored
-73: [08:07:50] 
+73: [04:48:25] bond is not part of the SubstanceGroup
+73: [04:48:25] SGroup 2 is invalid and will be ignored
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16726,7 +16729,7 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16735,11 +16738,11 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
-73: [08:07:50] SGroup 2 is invalid and will be ignored
-73: [08:07:50] WARNING: final character of V3000 array is not ')'
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
+73: [04:48:25] SGroup 2 is invalid and will be ignored
+73: [04:48:25] WARNING: final character of V3000 array is not ')'
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16748,8 +16751,8 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] WARNING: final character of V3000 array is not ')'
-73: [08:07:50] 
+73: [04:48:25] WARNING: final character of V3000 array is not ')'
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16758,10 +16761,10 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] WARNING: final character of V3000 array is not ')'
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] WARNING: final character of V3000 array is not ')'
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16770,8 +16773,8 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] WARNING: final character of V3000 array is not ')'
-73: [08:07:50] 
+73: [04:48:25] WARNING: final character of V3000 array is not ')'
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16780,9 +16783,9 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] SGroup 1 is invalid and will be ignored
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] SGroup 1 is invalid and will be ignored
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16791,7 +16794,18 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] 
+74: Randomness seeded to: 2177435270
+74: ===============================================================================
+74: All tests passed (95 assertions in 4 test cases)
+74: 
+ 63/223 Test  #74: testPropertyLists ......................   Passed    0.07 sec
+test 75
+        Start  75: XYZFileParserCatchTest
+
+75: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
+75: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+75: Test timeout computed to be: 1500
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16800,9 +16814,9 @@
 73: Failed Expression: (lu != d_bondBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] SGroup 2 is invalid and will be ignored
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] SGroup 2 is invalid and will be ignored
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16811,7 +16825,7 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16820,30 +16834,26 @@
 73: Failed Expression: (lu != d_atomBookmarks.end())
 73: ****
 73: 
-73: [08:07:50] bookmark not found
-73: [08:07:50] SGroup 2 is invalid and will be ignored
-73: [08:07:50] Explicit valence for atom # 2 O, 3, is greater than permitted
-73: [08:07:50] Explicit valence for atom # 1 O, 3, is greater than permitted
-73: [08:07:50] Explicit valence for atom # 1 C, 5, is greater than permitted
-76: Randomness seeded to: 4015385034
-76: [08:07:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-76: [08:07:50] Explicit valence for atom # 3 N, 4, is greater than permitted
-76: [08:07:50] CDXMLParser: failed sanitizing skipping fragment 32
-76: [08:07:50] Bad bond in CDXML skipping fragment 58...
-76: [08:07:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-76: [08:07:50] Bad bond in CDXML skipping fragment 58...
-73: [08:07:50] sanitize [08:07:50] UNK: [08:07:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-77: Randomness seeded to: 773851429
-77: [08:07:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-77: [08:07:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-77: [08:07:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-77: [08:07:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-77: [08:07:50] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 2 ignored
-77: ===============================================================================
-77: All tests passed (142 assertions in 6 test cases)
-77: 
-73: [08:07:50] skipping block at line 7: 'BEGIN ATOM'
-73: [08:07:50] 
+73: [04:48:25] bookmark not found
+73: [04:48:25] SGroup 2 is invalid and will be ignored
+73: [04:48:25] Explicit valence for atom # 2 O, 3, is greater than permitted
+73: [04:48:25] Explicit valence for atom # 1 O, 3, is greater than permitted
+73: [04:48:25] Explicit valence for atom # 1 C, 5, is greater than permitted
+26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+73: [04:48:25] sanitize [04:48:25] UNK: [04:48:25] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+75: Randomness seeded to: 2566735726
+75: ===============================================================================
+75: All tests passed (100 assertions in 2 test cases)
+75: 
+ 64/223 Test  #75: XYZFileParserCatchTest .................   Passed    0.04 sec
+test 76
+        Start  76: cdxmlParserCatchTest
+
+76: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
+76: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+76: Test timeout computed to be: 1500
+73: [04:48:25] skipping block at line 7: 'BEGIN ATOM'
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16852,7 +16862,7 @@
 73: Failed Expression: dp_inStream
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16861,7 +16871,7 @@
 73: Failed Expression: dp_inStream
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16870,7 +16880,7 @@
 73: Failed Expression: dp_inStream
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16879,7 +16889,7 @@
 73: Failed Expression: dp_inStream
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -16888,16 +16898,9 @@
 73: Failed Expression: dp_sInStream != nullptr
 73: ****
 73: 
- 66/223 Test  #77: molfileStereoCatchTest .................   Passed    0.05 sec
-test 78
-        Start  78: connectTheDotsTest
-
-78: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
-78: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
-78: Test timeout computed to be: 1500
-73: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 21
-73: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 20
-73: [08:07:50] 
+73: [04:48:25] Found a SCD/SED line with missing/empty SDT specification at line 21
+73: [04:48:25] Found a SCD/SED line with missing/empty SDT specification at line 20
+73: [04:48:25] 
 73: 
 73: ****
 73: Post-condition Violation
@@ -16906,13 +16909,13 @@
 73: Failed Expression: anum > -1
 73: ****
 73: 
-73: [08:07:50] BEGIN SGROUP line not found on line 14
-73: [08:07:50]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
-73: [08:07:50] END SGROUP line not found on line 14
-73: [08:07:50] END SGROUP line not found on line 14
-73: [08:07:50] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
-73: [08:07:50] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
-73: [08:07:50] 
+73: [04:48:25] BEGIN SGROUP line not found on line 14
+73: [04:48:25]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
+73: [04:48:25] END SGROUP line not found on line 14
+73: [04:48:25] END SGROUP line not found on line 14
+73: [04:48:25] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
+73: [04:48:25] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
+73: [04:48:25] 
 73: 
 73: ****
 73: Range Error
@@ -16921,24 +16924,24 @@
 73: Failed Expression: 99 < 9
 73: ****
 73: 
-73: [08:07:50] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
-73: [08:07:50] Multiple ATTCHPT values for atom 2 on line 9
-73: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-73: [08:07:50] SMARTS Parse Error: syntax error while parsing: [#6;R
-73: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
-73: [08:07:50] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
-73: [08:07:50] Skipping empty SMARTS value for SMARTSQ.
-73: [08:07:50] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
-73: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-73: [08:07:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-73: [08:07:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [08:07:50] WARNING: Skipping property bar because the value includes an illegal blank line
-73: [08:07:50] WARNING: Skipping property baz because the value includes an illegal blank line
-73: [08:07:50] WARNING: Skipping property bletch
+73: [04:48:25] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
+73: [04:48:25] Multiple ATTCHPT values for atom 2 on line 9
+73: [04:48:25] Found a SCD/SED line with missing/empty SDT specification at line 12
+73: [04:48:25] SMARTS Parse Error: syntax error while parsing: [#6;R
+73: [04:48:25] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
+73: [04:48:25] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
+73: [04:48:25] Skipping empty SMARTS value for SMARTSQ.
+73: [04:48:25] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
+73: [04:48:25] Found a SCD/SED line with missing/empty SDT specification at line 12
+73: [04:48:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+73: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [04:48:25] WARNING: Skipping property bar because the value includes an illegal blank line
+73: [04:48:25] WARNING: Skipping property baz because the value includes an illegal blank line
+73: [04:48:25] WARNING: Skipping property bletch
 73: nope because the name includes a newline
-73: [08:07:50] WARNING: Skipping property bletch
+73: [04:48:25] WARNING: Skipping property bletch
 73: nope2 because the name includes a newline
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Post-condition Violation
@@ -16947,7 +16950,7 @@
 73: Failed Expression: anum > -1
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Post-condition Violation
@@ -16956,7 +16959,7 @@
 73: Failed Expression: anum > -1
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Post-condition Violation
@@ -16965,7 +16968,7 @@
 73: Failed Expression: anum > -1
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Post-condition Violation
@@ -16974,21 +16977,11 @@
 73: Failed Expression: anum > -1
 73: ****
 73: 
-73: [08:07:50]  atom 3 has a negative isotope value. line:  15
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] WARNING: not removing hydrogen atom without neighbors
-76: [08:07:50] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents fragment 64603 not found in document.
-76: [08:07:50] Incomplete atom labelling, cannot make bond
-76: [08:07:50] Incomplete atom labelling, cannot make bond
-73: [08:07:50] 
+73: [04:48:25]  atom 3 has a negative isotope value. line:  15
+68: [04:48:25] 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: [04:48:25] bond with order 0 found on line 11. This is not part of the MDL specification.
+68: [04:48:25] bond with order 0 found on line 16. This is not part of the MDL specification.
+73: [04:48:25] 
 73: 
 73: ****
 73: Invariant Violation
@@ -16997,7 +16990,7 @@
 73: Failed Expression: nSwaps < 2
 73: ****
 73: 
-73: [08:07:50] 
+73: [04:48:25] 
 73: 
 73: ****
 73: Pre-condition Violation
@@ -17006,34 +16999,89 @@
 73: Failed Expression: dp_sInStream
 73: ****
 73: 
-76: [08:07:50] Incomplete atom labelling, cannot make bond
-78: Randomness seeded to: 1140944550
-78: ===============================================================================
-78: All tests passed (8 assertions in 1 test case)
-78: 
-62: ..............[08:07:50] SMILES Parse Error: syntax error while parsing: invalidsmiles
-62: [08:07:50] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
-76: [08:07:50] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-76: [08:07:50] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-76: [08:07:50] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
-76: [08:07:50] Failed to parse XML fragment 5 node: b attribute: Order: 5
- 67/223 Test  #78: connectTheDotsTest .....................   Passed    0.05 sec
+76: Randomness seeded to: 2975806640
+76: [04:48:25] Invalid or missing fragment id from CDXML fragment, assigning new one...
+76: [04:48:25] Explicit valence for atom # 3 N, 4, is greater than permitted
+76: [04:48:25] CDXMLParser: failed sanitizing skipping fragment 32
+76: [04:48:25] Bad bond in CDXML skipping fragment 58...
+76: [04:48:25] Invalid or missing fragment id from CDXML fragment, assigning new one...
+76: [04:48:25] Bad bond in CDXML skipping fragment 58...
+26: All 191 tests passed
+ 65/223 Test  #68: testMolWriter ..........................   Passed    0.44 sec
+test 77
+        Start  77: molfileStereoCatchTest
+
+77: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
+77: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+77: Test timeout computed to be: 1500
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] WARNING: not removing hydrogen atom without neighbors
+76: [04:48:25] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents fragment 64603 not found in document.
+76: [04:48:25] Incomplete atom labelling, cannot make bond
+76: [04:48:25] Incomplete atom labelling, cannot make bond
+77: Randomness seeded to: 3498580096
+77: [04:48:25] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+77: [04:48:25] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+76: [04:48:25] Incomplete atom labelling, cannot make bond
+77: [04:48:25] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+77: [04:48:25] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+77: [04:48:25] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 2 ignored
+77: ===============================================================================
+77: All tests passed (142 assertions in 6 test cases)
+77: 
+ 66/223 Test  #77: molfileStereoCatchTest .................   Passed    0.09 sec
+test 78
+        Start  78: connectTheDotsTest
+
+78: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
+78: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers
+78: Test timeout computed to be: 1500
+73: [04:48:25] ERROR: molecules without atoms cannot be exported to Maestro files.
+73: [04:48:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+73: [04:48:25] ERROR: the mol cannot be kekulized, and will not be written to the output file.
+73: [04:48:25] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
+76: [04:48:25] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+76: [04:48:25] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+76: [04:48:25] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
+76: [04:48:25] Failed to parse XML fragment 5 node: b attribute: Order: 5
+76: ===============================================================================
+76: All tests passed (252 assertions in 4 test cases)
+76: 
+26: 
+26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
+ 67/223 Test  #76: cdxmlParserCatchTest ...................   Passed    0.20 sec
 test 79
         Start  79: testSubstructMatch
 
 79: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
 79: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
 79: Test timeout computed to be: 1500
-76: ===============================================================================
-76: All tests passed (252 assertions in 4 test cases)
-76: 
- 68/223 Test  #76: cdxmlParserCatchTest ...................   Passed    0.13 sec
+73: [04:48:25] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+73: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [04:48:25] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+73: [04:48:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: ===============================================================================
+73: All tests passed (1311 assertions in 87 test cases)
+73: 
+ 68/223 Test  #73: fileParsersCatchTest ...................   Passed    0.34 sec
 test 80
         Start  80: substructTestCatch
 
 80: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
 80: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct
 80: Test timeout computed to be: 1500
+78: Randomness seeded to: 869925510
+78: ===============================================================================
+78: All tests passed (8 assertions in 1 test case)
+78: 
 79:  ----------------- Test 1
 79: Done
 79: 
@@ -17058,54 +17106,24 @@
 79:  ----------------- Testing serial numbers on recursive queries
 79: Done
 79: 
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test multithreading
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test multithreading
 79: reading molecules
-73: [08:07:50] ERROR: molecules without atoms cannot be exported to Maestro files.
-73: [08:07:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-73: [08:07:50] ERROR: the mol cannot be kekulized, and will not be written to the output file.
-73: [08:07:50] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
-73: [08:07:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-73: [08:07:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [08:07:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-73: [08:07:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: ===============================================================================
-73: All tests passed (1311 assertions in 87 test cases)
-73: 
- 69/223 Test  #73: fileParsersCatchTest ...................   Passed    0.21 sec
+ 69/223 Test  #78: connectTheDotsTest .....................   Passed    0.05 sec
 test 81
         Start  81: testGenericGroups
 
 81: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
 81: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups
 81: Test timeout computed to be: 1500
+62: ..............[04:48:26] SMILES Parse Error: syntax error while parsing: invalidsmiles
+62: [04:48:26] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
 79:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
 79: processing
 79:  launch :0
 79:  launch :1
 79:  launch :2
 79:  launch :3
-64: [08:07:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:50]  deprecated group abbreviation ignored on line 24
-64: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-64: [08:07:50] 
-64: 
-64: ****
-64: Post-condition Violation
-64: Element 'Mv' not found
-64: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-64: Failed Expression: anum > -1
-64: ****
-64: 
-62: .....
-62: ----------------------------------------------------------------------
-62: Ran 19 tests in 0.440s
-62: 
-62: OK
-26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
 79:  done
 79:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
 79: processing2
@@ -17113,6 +17131,20 @@
 79:  launch2 :1
 79:  launch2 :2
 79:  launch2 :3
+62: .....
+62: ----------------------------------------------------------------------
+62: Ran 19 tests in 0.734s
+62: 
+62: OK
+64: [04:48:26] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:26] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:26] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:26] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:26]  deprecated group abbreviation ignored on line 24
+81: Randomness seeded to: 1307232339
+81: ===============================================================================
+81: All tests passed (9408 assertions in 38 test cases)
+81: 
 79:  done
 79:  preprocessing 3
 79:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
@@ -17121,36 +17153,73 @@
 79:  launch3 :1
 79:  launch3 :2
 79:  launch3 :3
-26: All 191 tests passed
+ 70/223 Test  #81: testGenericGroups ......................   Passed    0.26 sec
+test 82
+        Start  82: testReaction
+
+82: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
+82: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
+82: Test timeout computed to be: 1500
+64: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+64: [04:48:26] 
+64: 
+64: ****
+64: Post-condition Violation
+64: Element 'Mv' not found
+64: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+64: Failed Expression: anum > -1
+64: ****
+64: 
+82: smi: O=C1CNC(=O)CN1
+82: 1: O=C1CNC(=O)CN1
+82: 2: COOC
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+82: [04:48:26] 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]'
+82: O=C1CNC(=O)CN1
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 4 
 79:  done
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test GitHub issue 15
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test GitHub issue 409
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test chiral matching
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test dative-bond matching
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test cis/trans matching
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Test cis/trans matching part 2
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
-79: [08:07:50]   done
-79: [08:07:50] -------------------------------------
-79: [08:07:50]     Testing matching E/Z against Cis/Trans stereo bonds
-79: [08:07:50] 
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test GitHub issue 15
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test GitHub issue 409
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test chiral matching
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test dative-bond matching
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test cis/trans matching
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Test cis/trans matching part 2
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
+82: [04:48:26] atom 0 in product 0 has multiple charge specifications.
+82:  mass: 15.0001
+82: Oc1ccccn1
+82: Oc1ccc[nH]1
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: ([C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: [C:2])
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
+79: [04:48:26]   done
+79: [04:48:26] -------------------------------------
+79: [04:48:26]     Testing matching E/Z against Cis/Trans stereo bonds
+79: [04:48:26] 
 79: 
 79: ****
 79: Pre-condition Violation
@@ -17159,7 +17228,7 @@
 79: Failed Expression: !matches.empty()
 79: ****
 79: 
-79: [08:07:50] 
+79: [04:48:26] 
 79: 
 79: ****
 79: Pre-condition Violation
@@ -17168,269 +17237,250 @@
 79: Failed Expression: !matches.empty()
 79: ****
 79: 
-79: [08:07:50] -------------------------------------
-79: [08:07:50] Test substructure matching with a pathological case for symmetric SSSR
-79: [08:07:50] -------------------------------------
-79: [08:07:50] Test isAtomTerminalRGroupOrQueryHydrogen
- 70/223 Test  #79: testSubstructMatch .....................   Passed    0.26 sec
-test 82
-        Start  82: testReaction
-
-82: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
-82: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
-82: Test timeout computed to be: 1500
- 71/223 Test  #62: pyDepictor .............................   Passed    1.04 sec
+79: [04:48:26] -------------------------------------
+79: [04:48:26] Test substructure matching with a pathological case for symmetric SSSR
+82: [04:48:26] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+82: [04:48:26] 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]'
+82: [04:48:26] reactant 2 has no mapped atoms.
+82: [04:48:26] >> Atoms within one molecule have different RXN roles.
+82: [04:48:26] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: ([C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
+82: [04:48:26] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
+82: [04:48:26] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
+82: [04:48:26] reactant 0 has no mapped atoms.
+82: [04:48:26] reactant 1 has no mapped atoms.
+82: [04:48:26] reactant 3 has no mapped atoms.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 5 found multiple times.
+82: [04:48:26] product atom-mapping number 6 found multiple times.
+82: [04:48:26] product atom-mapping number 7 found multiple times.
+82: [04:48:26] product atom-mapping number 8 found multiple times.
+82: [04:48:26] product atom-mapping number 12 found multiple times.
+82: [04:48:26] product atom-mapping number 9 found multiple times.
+82: [04:48:26] product atom-mapping number 10 found multiple times.
+82: [04:48:26] product atom-mapping number 11 found multiple times.
+82: [04:48:26] reactant 0 has no mapped atoms.
+82: [04:48:26] reactant 1 has no mapped atoms.
+82: [04:48:26] reactant 3 has no mapped atoms.
+82: [04:48:26] reactant atom-mapping number 19 found multiple times.
+82: [04:48:26] reactant atom-mapping number 25 found multiple times.
+82: [04:48:26] reactant atom-mapping number 20 found multiple times.
+82: [04:48:26] reactant atom-mapping number 21 found multiple times.
+82: [04:48:26] reactant atom-mapping number 22 found multiple times.
+82: [04:48:26] reactant atom-mapping number 23 found multiple times.
+82: [04:48:26] reactant atom-mapping number 24 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 5 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 5 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 5 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 5 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: F[C@](Cl)(Br)O[C@](F)(Cl)Br
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 4 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 4 
+82: [04:48:26] product atom-mapping number 3 found multiple times.
+82: [04:48:26] product atom-mapping number 2 found multiple times.
+82: [04:48:26] product atom-mapping number 1 found multiple times.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 4 
+82: [04:48:26] product atom-mapping number 6 not found in reactants.
+82: [04:48:26] product atom-mapping number 7 not found in reactants.
+82: [04:48:26] product atom-mapping number 8 not found in reactants.
+82: [04:48:26] product atom-mapping number 7 not found in reactants.
+82: [04:48:26] product atom-mapping number 8 not found in reactants.
+82: [04:48:26] product atom-mapping number 9 not found in reactants.
+82: [04:48:26] product atom-mapping number 10 not found in reactants.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 6 
+82: [04:48:26] product atom-mapping number 7 not found in reactants.
+82: [04:48:26] product atom-mapping number 8 not found in reactants.
+82: [04:48:26] product atom-mapping number 9 not found in reactants.
+82: [04:48:26] product atom-mapping number 10 not found in reactants.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 6 
+82: 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]
+82: 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]
+79: [04:48:26] -------------------------------------
+79: [04:48:26] Test isAtomTerminalRGroupOrQueryHydrogen
+ 71/223 Test  #79: testSubstructMatch .....................   Passed    0.39 sec
 test 83
         Start  83: testReactionFingerprints
 
 83: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
 83: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
 83: Test timeout computed to be: 1500
-26: 
-26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
-83: [08:07:50] -------------------------------------
-83: [08:07:50]     Test Reaction StructuralFingerprint
-83: [08:07:50] -------------------------------------
-83: [08:07:50]     Test Reaction DifferenceFingerprint
- 72/223 Test  #83: testReactionFingerprints ...............   Passed    0.04 sec
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
+83: [04:48:26] -------------------------------------
+83: [04:48:26]     Test Reaction StructuralFingerprint
+ 72/223 Test  #62: pyDepictor .............................   Passed    1.57 sec
 test 84
         Start  84: testEnumeration
 
 84: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
 84: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
 84: Test timeout computed to be: 1500
-82: smi: O=C1CNC(=O)CN1
-82: 1: O=C1CNC(=O)CN1
-82: 2: COOC
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-82: [08:07:50] 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]'
-82: O=C1CNC(=O)CN1
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 4 
-80: Randomness seeded to: 3643202252
-80: ===============================================================================
-80: All tests passed (143 assertions in 7 test cases)
-80: 
- 73/223 Test  #80: substructTestCatch .....................   Passed    0.33 sec
+83: [04:48:26] -------------------------------------
+83: [04:48:26]     Test Reaction DifferenceFingerprint
+82: [04:48:26] product atom-mapping number 17 not found in reactants.
+82: [04:48:26] product atom-mapping number 18 not found in reactants.
+82: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+82:   unmapped numbers are: 12 
+ 73/223 Test  #83: testReactionFingerprints ...............   Passed    0.06 sec
 test 85
         Start  85: rxnTestCatch
 
 85: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
 85: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions
 85: Test timeout computed to be: 1500
-82: [08:07:50] atom 0 in product 0 has multiple charge specifications.
-82:  mass: 15.0001
-82: Oc1ccccn1
-82: Oc1ccc[nH]1
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: ([C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: [C:2])
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
-82: [08:07:50] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-82: [08:07:50] 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]'
-82: [08:07:50] reactant 2 has no mapped atoms.
-82: [08:07:50] >> Atoms within one molecule have different RXN roles.
-82: [08:07:50] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: ([C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
-82: [08:07:50] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
-82: [08:07:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
-82: [08:07:50] reactant 0 has no mapped atoms.
-82: [08:07:50] reactant 1 has no mapped atoms.
-82: [08:07:50] reactant 3 has no mapped atoms.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 5 found multiple times.
-82: [08:07:50] product atom-mapping number 6 found multiple times.
-82: [08:07:50] product atom-mapping number 7 found multiple times.
-82: [08:07:50] product atom-mapping number 8 found multiple times.
-82: [08:07:50] product atom-mapping number 12 found multiple times.
-82: [08:07:50] product atom-mapping number 9 found multiple times.
-82: [08:07:50] product atom-mapping number 10 found multiple times.
-82: [08:07:50] product atom-mapping number 11 found multiple times.
-82: [08:07:50] reactant 0 has no mapped atoms.
-82: [08:07:50] reactant 1 has no mapped atoms.
-82: [08:07:50] reactant 3 has no mapped atoms.
-82: [08:07:50] reactant atom-mapping number 19 found multiple times.
-82: [08:07:50] reactant atom-mapping number 25 found multiple times.
-82: [08:07:50] reactant atom-mapping number 20 found multiple times.
-82: [08:07:50] reactant atom-mapping number 21 found multiple times.
-82: [08:07:50] reactant atom-mapping number 22 found multiple times.
-82: [08:07:50] reactant atom-mapping number 23 found multiple times.
-82: [08:07:50] reactant atom-mapping number 24 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 5 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 5 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 5 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 5 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: F[C@](Cl)(Br)O[C@](F)(Cl)Br
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 4 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 4 
-82: [08:07:50] product atom-mapping number 3 found multiple times.
-82: [08:07:50] product atom-mapping number 2 found multiple times.
-82: [08:07:50] product atom-mapping number 1 found multiple times.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 4 
-82: [08:07:50] product atom-mapping number 6 not found in reactants.
-82: [08:07:50] product atom-mapping number 7 not found in reactants.
-82: [08:07:50] product atom-mapping number 8 not found in reactants.
-82: [08:07:50] product atom-mapping number 7 not found in reactants.
-82: [08:07:50] product atom-mapping number 8 not found in reactants.
-82: [08:07:50] product atom-mapping number 9 not found in reactants.
-82: [08:07:50] product atom-mapping number 10 not found in reactants.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 6 
-85: Randomness seeded to: 3641355334
-85: [08:07:50] atom 0 in product 0 has multiple charge specifications.
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 34
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 36
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 38
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 40
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 42
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 87
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 89
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 91
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 93
-85: [08:07:50] Found a SCD/SED line with missing/empty SDT specification at line 95
-81: Randomness seeded to: 2680369282
-81: ===============================================================================
-81: All tests passed (9408 assertions in 38 test cases)
-81: 
- 74/223 Test  #81: testGenericGroups ......................   Passed    0.34 sec
+82: [04:48:26] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+82: [04:48:26] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+82: 
+82: [04:48:26] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
+82: -------------
+82: CCOc1ccccc1
+85: Randomness seeded to: 3052906313
+85: [04:48:26] atom 0 in product 0 has multiple charge specifications.
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 34
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 36
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 38
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 40
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 42
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 87
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 89
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 91
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 93
+85: [04:48:26] Found a SCD/SED line with missing/empty SDT specification at line 95
+85: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 2 
+85: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 2 
+85: [04:48:26] SMARTS Parse Error: unclosed ring for input: 'CC1'
+85: [04:48:26] SMILES Parse Error: unclosed ring for input: 'CC1'
+85: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 2 
+85: [04:48:26] product atom-mapping number 2 not found in reactants.
+85: [04:48:26] mapped atoms in the reactants were not mapped in the products.
+85:   unmapped numbers are: 2 
+84: 30000000 30000000
+82: [04:48:26] reactant 0 has no mapped atoms.
+82: [04:48:26] product 0 has no mapped atoms.
+82: [04:48:26] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
+85: [04:48:26] product atom-mapping number 2 not found in reactants.
+85: [04:48:26]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+ 74/223 Test  #82: testReaction ...........................   Passed    0.28 sec
 test 86
         Start  86: pyChemReactions
 
 86: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
 86: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 86: Test timeout computed to be: 1500
-82: [08:07:50] product atom-mapping number 7 not found in reactants.
-82: [08:07:50] product atom-mapping number 8 not found in reactants.
-82: [08:07:50] product atom-mapping number 9 not found in reactants.
-82: [08:07:50] product atom-mapping number 10 not found in reactants.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 6 
-82: 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]
-82: 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]
-85: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 2 
-85: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 2 
-85: [08:07:50] SMARTS Parse Error: unclosed ring for input: 'CC1'
-85: [08:07:50] SMILES Parse Error: unclosed ring for input: 'CC1'
-85: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 2 
-85: [08:07:50] product atom-mapping number 2 not found in reactants.
-85: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-85:   unmapped numbers are: 2 
-85: [08:07:50] product atom-mapping number 2 not found in reactants.
-85: [08:07:50]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
 85: ===============================================================================
 85: All tests passed (568 assertions in 20 test cases)
 85: 
- 75/223 Test  #85: rxnTestCatch ...........................   Passed    0.06 sec
+ 75/223 Test  #85: rxnTestCatch ...........................   Passed    0.15 sec
 test 87
         Start  87: pyChemReactionEnumerations
 
 87: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
 87: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
 87: Test timeout computed to be: 1500
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
-84: 30000000 30000000
-82: [08:07:50] product atom-mapping number 17 not found in reactants.
-82: [08:07:50] product atom-mapping number 18 not found in reactants.
-82: [08:07:50] mapped atoms in the reactants were not mapped in the products.
-82:   unmapped numbers are: 12 
-82: [08:07:50] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-82: [08:07:50] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-82: 
-82: [08:07:50] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
-82: -------------
-82: CCOc1ccccc1
-86: [08:07:51]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-86: [08:07:51]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-86: .[08:07:51] 
+80: Randomness seeded to: 1115563814
+80: ===============================================================================
+80: All tests passed (143 assertions in 7 test cases)
+80: 
+ 76/223 Test  #80: substructTestCatch .....................   Passed    0.64 sec
+test 88
+        Start  88: pyChemReactionSanitize
+
+88: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
+88: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+88: Test timeout computed to be: 1500
+87: [04:48:27] == testCartesianProduct
+87: .[04:48:27] == testEnumerateLibrary
+87: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
+87:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
+87: ResourceWarning: Enable tracemalloc to get the object allocation traceback
+86: [04:48:27]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+86: [04:48:27]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+86: .[04:48:27] 
 86: 
 86: ****
 86: Pre-condition Violation
@@ -17439,7 +17489,7 @@
 86: Failed Expression: d_implicitValence > -1
 86: ****
 86: 
-86: [08:07:51] 
+86: [04:48:27] 
 86: 
 86: ****
 86: Pre-condition Violation
@@ -17448,281 +17498,107 @@
 86: Failed Expression: d_implicitValence > -1
 86: ****
 86: 
-86: .......[08:07:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-86: [08:07:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-86: [08:07:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-86: [08:07:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-86: .[08:07:51] product atom-mapping number 1 found multiple times.
-86: [08:07:51] product atom-mapping number 1 found multiple times.
-86: ................[08:07:51] mapped atoms in the reactants were not mapped in the products.
+87: ..[04:48:27] == testRGroupState
+86: .......[04:48:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+86: [04:48:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+86: [04:48:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+86: [04:48:27] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+86: .[04:48:27] product atom-mapping number 1 found multiple times.
+86: [04:48:27] product atom-mapping number 1 found multiple times.
+87: .[04:48:27] == testRandomEnumerateAllBBsLibrary
+87: ** [1, 1]
+87: ** [0, 2]
+87: ** [1, 0]
+86: ................[04:48:27] mapped atoms in the reactants were not mapped in the products.
 86:   unmapped numbers are: 3 
-86: [08:07:51] mapped atoms in the reactants were not mapped in the products.
+86: [04:48:27] mapped atoms in the reactants were not mapped in the products.
 86:   unmapped numbers are: 3 
-86: .[08:07:51] mapped atoms in the reactants were not mapped in the products.
+87: .[04:48:27] == testRandomEnumerateLibrary
+87: .[04:48:27] == testRandomSample
+86: .[04:48:27] mapped atoms in the reactants were not mapped in the products.
 86:   unmapped numbers are: 3 
-86: ..[08:07:51] reactant 2 has no mapped atoms.
-86: [08:07:51] reactant 2 has no mapped atoms.
-86: [08:07:51] product 1 has no mapped atoms.
-86: ........[08:07:51] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
-86: [08:07:51] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
-86: .[08:07:51] reactant atom-mapping number 1 found multiple times.
-86: [08:07:51] product atom-mapping number 2 not found in reactants.
-86: [08:07:51] mapped atoms in the reactants were not mapped in the products.
+86: ..[04:48:27] reactant 2 has no mapped atoms.
+86: [04:48:27] reactant 2 has no mapped atoms.
+86: [04:48:27] product 1 has no mapped atoms.
+86: ........[04:48:27] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
+86: [04:48:27] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
+86: .[04:48:27] reactant atom-mapping number 1 found multiple times.
+86: [04:48:27] product atom-mapping number 2 not found in reactants.
+86: [04:48:27] mapped atoms in the reactants were not mapped in the products.
 86:   unmapped numbers are: 4 
-86: [08:07:51] product atom-mapping number 5 not found in reactants.
+86: [04:48:27] product atom-mapping number 5 not found in reactants.
+87: .[04:48:27] == testRandomSampleAllBBs
+87: .[04:48:27]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+87: [04:48:27]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+87: .[04:48:27] == testRemoveBadMatches
+87: .[04:48:27] == testTimings
 86: ........./build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
 86:   png = open(fname, 'rb').read()
 86: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 34
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 36
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 38
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 40
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 42
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 87
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 89
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 91
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 93
-86: [08:07:51] Found a SCD/SED line with missing/empty SDT specification at line 95
-86: ..[08:07:51] SMARTS Parse Error: syntax error while parsing: boromicacid
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-86: [08:07:51] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-86: [08:07:51] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-86: [08:07:51] reaction has no reactants
-86: [08:07:51] reaction has no products
-86: [08:07:51] initialization failed
-86: [08:07:51] reaction has no reactants
-86: [08:07:51] reaction has no products
-82: [08:07:51] reactant 0 has no mapped atoms.
-82: [08:07:51] product 0 has no mapped atoms.
-82: [08:07:51] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
-86: .[08:07:51] SMARTS Parse Error: syntax error while parsing: boromicacid
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-86: [08:07:51] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-86: [08:07:51] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-86: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-86: [08:07:51] reaction has no reactants
-86: [08:07:51] reaction has no products
-86: [08:07:51] initialization failed
-86: [08:07:51] reaction has no reactants
-86: [08:07:51] reaction has no products
-86: .
-86: ----------------------------------------------------------------------
-86: Ran 50 tests in 0.095s
-86: 
-86: OK
-86: ********************************************
-86: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
-86: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0xffff83137920>
- 76/223 Test  #82: testReaction ...........................   Passed    0.52 sec
-test 88
-        Start  88: pyChemReactionSanitize
-
-88: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
-88: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-88: Test timeout computed to be: 1500
- 77/223 Test  #38: hanoiTest ..............................   Passed    2.05 sec
-test 89
-        Start  89: testChemTransforms
-
-89: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
-89: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
-89: Test timeout computed to be: 1500
-87: [08:07:51] == testCartesianProduct
-87: .[08:07:51] == testEnumerateLibrary
-87: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
-87:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
-87: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-89: 1 smi: CC
-89: 1 smi: CC
-89: 2 smi: CCO[C@H](N)P
-89: 2 smi: CC
-89: replaceSub smi1:CCP(CC)[C@@H](N)O
-89: replaceSub smi1:CCNCC
-89: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
-89: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
-87: ..[08:07:51] == testRGroupState
-89: [08:07:51] SMARTS Parse Error: syntax error while parsing: bar
-89: [08:07:51] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
-87: .[08:07:51] == testRandomEnumerateAllBBsLibrary
-87: ** [1, 1]
-87: ** [0, 2]
-87: ** [1, 0]
-12: ..................
-12: ----------------------------------------------------------------------
-12: Ran 18 tests in 2.353s
-12: 
-12: OK
-87: .[08:07:51] == testRandomEnumerateLibrary
- 78/223 Test  #86: pyChemReactions ........................   Passed    0.48 sec
-test 90
-        Start  90: chemTransformsTestCatch
-
-90: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-90: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
-90: Test timeout computed to be: 1500
-87: .[08:07:51] == testRandomSample
-87: .[08:07:51] == testRandomSampleAllBBs
-87: .[08:07:51]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-87: [08:07:51]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-87: .[08:07:51] == testRemoveBadMatches
-87: .[08:07:51] == testTimings
-90: Randomness seeded to: 1360223961
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: bond info already exists for end atom with label:1
-90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: !bond.b
-90: ****
-90: 
- 79/223 Test  #89: testChemTransforms .....................   Passed    0.11 sec
-test 91
-        Start  91: tautomerQueryTestCatch
-
-91: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
-91: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery
-91: Test timeout computed to be: 1500
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: bond info already exists for end atom with label:1
-90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: !bond.b
-90: ****
-90: 
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: bond info already exists for end atom with label:1
-90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: !bond.b
-90: ****
-90: 
- 80/223 Test  #12: pyBV ...................................   Passed    2.64 sec
-test 92
-        Start  92: pyTautomerQuery
-
-92: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
-92: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
-92: Test timeout computed to be: 1500
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: bond info already exists for end atom with label:1
-90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: !bond.b
-90: ****
-90: 
-90: [08:07:51] Incomplete atom labelling, cannot make bond
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: bond info already exists for end atom with label:1
-90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: !bond.b
-90: ****
-90: 
-90: [08:07:51] 
-90: 
-90: ****
-90: Invariant Violation
-90: molzip: zipped Bond already exists, perhaps labels are duplicated
-90: Violation occurred on line 742 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-90: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
-90: ****
-90: 
-90: ===============================================================================
-90: All tests passed (667 assertions in 7 test cases)
-90: 
- 81/223 Test  #90: chemTransformsTestCatch ................   Passed    0.06 sec
-test 93
-        Start  93: testSubgraphs1
-
-93: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
-93: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
-93: Test timeout computed to be: 1500
-93: -----------------------
-93:  Subgraph retrieval
-93: Finished
-93: -----------------------
-93:  testSubgraphs2a
-93: Finished
-93: -----------------------
-93:  testSubgraphs2
-93: Finished
-93: -----------------------
-93:  Path retrieval
-93: Finished
-93: -----------------------
-93:  Path retrieval2
-93: Finished
-93: -----------------------
-93:  Unique Subgraph retrieval
-93: Finished
-93: -----------------------
-93:  testUniqueSubgraphs2
-88: .[08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: .[08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 34
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 36
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 38
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 40
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 42
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 87
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 89
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 91
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 93
+86: [04:48:27] Found a SCD/SED line with missing/empty SDT specification at line 95
+88: .[04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+86: ..[04:48:27] SMARTS Parse Error: syntax error while parsing: boromicacid
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+86: [04:48:27] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+86: [04:48:27] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+88: .[04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
 88: ()
 88: ********************************************
 88: $RXN
@@ -18080,16 +17956,16 @@
 88:    11.9811   -6.9292    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0
 88:   1  2  1  0
 88: M  END
-88: [08:07:51] reactant 0 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] product 0 has no mapped atoms.
-88: [08:07:51] Could not find RLabel mapping for atom: 0 in template: 1
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
-88: [08:07:51] reactant 1 has no mapped atoms.
+88: [04:48:27] reactant 0 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] product 0 has no mapped atoms.
+88: [04:48:27] Could not find RLabel mapping for atom: 0 in template: 1
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
+88: [04:48:27] reactant 1 has no mapped atoms.
 88: ..
 88: ----------------------------------------------------------------------
-88: Ran 4 tests in 0.012s
+88: Ran 4 tests in 0.053s
 88: 
 88: OK
 88: 
@@ -18144,11 +18020,188 @@
 88: M  END
 88: 
 88: $RXN Failed
-91: Randomness seeded to: 1954803011
+86: [04:48:27] reaction has no reactants
+86: [04:48:27] reaction has no products
+86: [04:48:27] initialization failed
+86: [04:48:27] reaction has no reactants
+86: [04:48:27] reaction has no products
+86: .[04:48:27] SMARTS Parse Error: syntax error while parsing: boromicacid
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+86: [04:48:27] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+86: [04:48:27] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+86: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+86: [04:48:27] reaction has no reactants
+86: [04:48:27] reaction has no products
+86: [04:48:27] initialization failed
+86: [04:48:27] reaction has no reactants
+86: [04:48:27] reaction has no products
+86: .
+86: ----------------------------------------------------------------------
+86: Ran 50 tests in 0.228s
+86: 
+86: OK
+86: ********************************************
+86: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
+86: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0xffffa83d37d0>
+ 77/223 Test  #88: pyChemReactionSanitize .................   Passed    1.06 sec
+test 89
+        Start  89: testChemTransforms
+
+89: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
+89: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
+89: Test timeout computed to be: 1500
+ 78/223 Test  #38: hanoiTest ..............................   Passed    3.75 sec
+ 79/223 Test  #86: pyChemReactions ........................   Passed    1.16 sec
+test 90
+        Start  90: chemTransformsTestCatch
+
+90: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+90: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms
+90: Test timeout computed to be: 1500
+test 91
+        Start  91: tautomerQueryTestCatch
+
+91: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
+91: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery
+91: Test timeout computed to be: 1500
+89: 1 smi: CC
+89: 1 smi: CC
+89: 2 smi: CCO[C@H](N)P
+89: 2 smi: CC
+89: replaceSub smi1:CCP(CC)[C@@H](N)O
+89: replaceSub smi1:CCNCC
+89: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
+89: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
+89: [04:48:27] SMARTS Parse Error: syntax error while parsing: bar
+89: [04:48:27] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
+90: Randomness seeded to: 2354015691
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: bond info already exists for end atom with label:1
+90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: !bond.b
+90: ****
+90: 
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: bond info already exists for end atom with label:1
+90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: !bond.b
+90: ****
+90: 
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: bond info already exists for end atom with label:1
+90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: !bond.b
+90: ****
+90: 
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: bond info already exists for end atom with label:1
+90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: !bond.b
+90: ****
+90: 
+90: [04:48:27] Incomplete atom labelling, cannot make bond
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: bond info already exists for end atom with label:1
+90: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: !bond.b
+90: ****
+90: 
+ 80/223 Test  #89: testChemTransforms .....................   Passed    0.12 sec
+test 92
+        Start  92: pyTautomerQuery
+
+92: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
+92: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
+92: Test timeout computed to be: 1500
+90: [04:48:27] 
+90: 
+90: ****
+90: Invariant Violation
+90: molzip: zipped Bond already exists, perhaps labels are duplicated
+90: Violation occurred on line 742 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+90: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
+90: ****
+90: 
+90: ===============================================================================
+90: All tests passed (667 assertions in 7 test cases)
+90: 
+ 81/223 Test  #90: chemTransformsTestCatch ................   Passed    0.12 sec
+test 93
+        Start  93: testSubgraphs1
+
+93: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
+93: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
+93: Test timeout computed to be: 1500
+93: -----------------------
+93:  Subgraph retrieval
+93: Finished
+93: -----------------------
+93:  testSubgraphs2a
+93: Finished
+93: -----------------------
+93:  testSubgraphs2
+93: Finished
+93: -----------------------
+93:  Path retrieval
+93: Finished
+93: -----------------------
+93:  Path retrieval2
+93: Finished
+93: -----------------------
+93:  Unique Subgraph retrieval
+93: Finished
+93: -----------------------
+93:  testUniqueSubgraphs2
+92: .....
+92: ----------------------------------------------------------------------
+92: Ran 5 tests in 0.025s
+92: 
+92: OK
+87: .
+87: ----------------------------------------------------------------------
+87: Ran 11 tests in 0.876s
+87: 
+87: OK
+87: True
+87: == CartesianProductStrategy CartesianProductStrategy
+87: 197 out of 300
+87: 0 6 out of 10
+87: 1 3 out of 5
+87: 2 4 out of 6
+87: 198 out of 300
+87: 0 10 out of 10
+87: 1 5 out of 5
+87: 2 6 out of 6
+87: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0xffff8cb94590> Skipped 10000000 in 0.05103778839111328 seconds
+87: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0xffff8cb94630> Skipped 10000000 in 0.3329131603240967 seconds
+87: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0xffff8cb94270> Skipped 10000000 in 0.14606189727783203 seconds
+91: Randomness seeded to: 1295940423
 91: ===============================================================================
 91: All tests passed (93 assertions in 13 test cases)
 91: 
- 82/223 Test  #91: tautomerQueryTestCatch .................   Passed    0.16 sec
+ 82/223 Test  #91: tautomerQueryTestCatch .................   Passed    0.36 sec
 test 94
         Start  94: testSubgraphs2
 
@@ -18157,6 +18210,13 @@
 94: Test timeout computed to be: 1500
 94: -----------------------
 94:  Test1: pathToSubmol
+ 83/223 Test  #92: pyTautomerQuery ........................   Passed    0.32 sec
+test 95
+        Start  95: subgraphsCatch
+
+95: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
+95: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
+95: Test timeout computed to be: 1500
 94: Finished
 94: -----------------------
 94:  Test2: Atom Environments
@@ -18170,20 +18230,6 @@
 94: -----------------------
 94:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
 94: Finished
- 83/223 Test  #88: pyChemReactionSanitize .................   Passed    0.31 sec
- 84/223 Test  #94: testSubgraphs2 .........................   Passed    0.02 sec
-test 95
-        Start  95: subgraphsCatch
-
-95: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
-95: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs
-95: Test timeout computed to be: 1500
-test 96
-        Start  96: filterCatalogTest
-
-96: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
-96: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog
-96: Test timeout computed to be: 1500
 93: Finished
 93: -----------------------
 93:  testRootedSubgraphs
@@ -18191,25 +18237,44 @@
 93: -----------------------
 93:  testRootedPaths
 93: Finished
-95: Randomness seeded to: 798686622
-95: ---------
-95: ===============================================================================
-95: All tests passed (11 assertions in 1 test case)
-95: 
- 85/223 Test  #93: testSubgraphs1 .........................   Passed    0.18 sec
+ 84/223 Test  #93: testSubgraphs1 .........................   Passed    0.32 sec
+ 85/223 Test  #94: testSubgraphs2 .........................   Passed    0.06 sec
+test 96
+        Start  96: filterCatalogTest
+
+96: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
+96: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog
+96: Test timeout computed to be: 1500
 test 97
         Start  97: pyFilterCatalog
 
 97: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
 97: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
 97: Test timeout computed to be: 1500
- 86/223 Test  #95: subgraphsCatch .........................   Passed    0.03 sec
+12: ..................
+12: ----------------------------------------------------------------------
+12: Ran 18 tests in 4.531s
+12: 
+12: OK
+95: Randomness seeded to: 947667507
+95: ---------
+95: ===============================================================================
+95: All tests passed (11 assertions in 1 test case)
+95: 
+ 86/223 Test  #95: subgraphsCatch .........................   Passed    0.07 sec
 test 98
         Start  98: testFragCatalog
 
 98: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
 98: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog
 98: Test timeout computed to be: 1500
+ 87/223 Test  #87: pyChemReactionEnumerations .............   Passed    1.64 sec
+test 99
+        Start  99: pyFragCatalog
+
+99: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
+99: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
+99: Test timeout computed to be: 1500
 98:  21
 96: Warning: molecule failed filter 
 96: Warning: molecule failed filter: reason hzone_phenol_A(479)
@@ -18299,125 +18364,71 @@
 96: 	10,15},
 96: 	11,16},
 96: }
-92: .....
-92: ----------------------------------------------------------------------
-92: Ran 5 tests in 0.023s
-92: 
-92: OK
- 87/223 Test  #92: pyTautomerQuery ........................   Passed    0.45 sec
-test 99
-        Start  99: pyFragCatalog
-
-99: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
-99: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
-99: Test timeout computed to be: 1500
-87: .
-87: ----------------------------------------------------------------------
-87: Ran 11 tests in 0.593s
-87: 
-87: OK
-87: True
-87: == CartesianProductStrategy CartesianProductStrategy
-87: 197 out of 300
-87: 0 6 out of 10
-87: 1 3 out of 5
-87: 2 4 out of 6
-87: 198 out of 300
-87: 0 10 out of 10
-87: 1 5 out of 5
-87: 2 6 out of 6
-87: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0xffff8e8e44a0> Skipped 10000000 in 0.0368804931640625 seconds
-87: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0xffff8e8e42c0> Skipped 10000000 in 0.2742750644683838 seconds
-87: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0xffff8e8e4540> Skipped 10000000 in 0.10642147064208984 seconds
- 88/223 Test  #96: filterCatalogTest ......................   Passed    0.30 sec
+26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+ 88/223 Test  #12: pyBV ...................................   Passed    5.11 sec
 test 100
         Start 100: testDescriptors
 
 100: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
 100: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 100: Test timeout computed to be: 1500
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Crippen parameter acquisition.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Crippen calculation.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Issue262: problems with Crippen calculation from pickles.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test AMW calculation.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Exact MW calculation.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Labute ASA descriptors.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test TPSA descriptors.
- 89/223 Test  #87: pyChemReactionEnumerations .............   Passed    1.06 sec
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Crippen parameter acquisition.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Crippen calculation.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Issue262: problems with Crippen calculation from pickles.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test AMW calculation.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Exact MW calculation.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Labute ASA descriptors.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test TPSA descriptors.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Lipinski parameters.
+26: All 191 tests passed
+ 89/223 Test  #96: filterCatalogTest ......................   Passed    0.39 sec
 test 101
         Start 101: testAUTOCORR2D
 
 101: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
 101: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 101: Test timeout computed to be: 1500
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Lipinski parameters.
-101: [08:07:51] ----------------------------
+101: [04:48:28] ----------------------------
 101: start test autocorr2D
-26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-99: .........
-99: ----------------------------------------------------------------------
-99: Ran 9 tests in 0.032s
-99: 
-99: OK
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test VSA descriptors.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test molecular formula calculation.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Issue 3415534.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test Issue3433771: Bad definition for Crippen atom type O11.
-100: [08:07:51]   done
-100: [08:07:51] -------------------------------------
-100: [08:07:51]     Test multithreading
+26: 
+26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test VSA descriptors.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test molecular formula calculation.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Issue 3415534.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test Issue3433771: Bad definition for Crippen atom type O11.
+100: [04:48:28]   done
+100: [04:48:28] -------------------------------------
+100: [04:48:28]     Test multithreading
 100: reading molecules
-26: All 191 tests passed
 100: processing
 100:  launch :0
 100:  launch :1
 100:  launch :2
 100:  launch :3
- 90/223 Test  #99: pyFragCatalog ..........................   Passed    0.30 sec
-test 102
-        Start 102: testATF
-
-102: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF
-102: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-102: Test timeout computed to be: 1500
- 91/223 Test #102: testATF ................................   Passed    0.01 sec
-test 103
-        Start 103: testBCUT
-
-103: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
-103: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-103: Test timeout computed to be: 1500
-26: 
-26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
-103: [08:07:52] -------------------------------------
-103: [08:07:52]     Basic BCUT tests.
-103: [08:07:52]   done
-103: [08:07:52] -------------------------------------
-103: [08:07:52]     Larger BCUT tests.
-98: [08:07:52] 
+98: [04:48:28] 
 98: 
 98: ****
 98: Invariant Violation
@@ -18426,7 +18437,7 @@
 98: Failed Expression: token != tokens.end()
 98: ****
 98: 
-98: [08:07:52] 
+98: [04:48:28] 
 98: 
 98: ****
 98: Invariant Violation
@@ -18435,7 +18446,7 @@
 98: Failed Expression: token != tokens.end()
 98: ****
 98: 
-98: [08:07:52] 
+98: [04:48:28] 
 98: 
 98: ****
 98: Invariant Violation
@@ -18444,619 +18455,730 @@
 98: Failed Expression: token != tokens.end()
 98: ****
 98: 
- 92/223 Test  #98: testFragCatalog ........................   Passed    0.62 sec
+ 90/223 Test  #98: testFragCatalog ........................   Passed    0.56 sec
+test 102
+        Start 102: testATF
+
+102: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF
+102: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+102: Test timeout computed to be: 1500
+99: .........
+99: ----------------------------------------------------------------------
+99: Ran 9 tests in 0.080s
+99: 
+99: OK
+ 91/223 Test  #40: resMolSupplierTest .....................   Passed    4.81 sec
+test 103
+        Start 103: testBCUT
+
+103: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
+103: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+103: Test timeout computed to be: 1500
+ 92/223 Test #102: testATF ................................   Passed    0.06 sec
 test 104
         Start 104: testEEM
 
 104: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testEEM
 104: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 104: Test timeout computed to be: 1500
+103: [04:48:28] -------------------------------------
+103: [04:48:28]     Basic BCUT tests.
+103: [04:48:28]   done
+103: [04:48:28] -------------------------------------
+103: [04:48:28]     Larger BCUT tests.
 104: =>start test EEM
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 104: 0
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-101: [08:07:52]   done
-101: [08:07:52] -------------------------------------
-101: [08:07:52]     Test Github #3806: NaNs from AUTOCORR2D descriptor
-101: [08:07:52]   done
- 93/223 Test #101: testAUTOCORR2D .........................   Passed    0.37 sec
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 93/223 Test  #99: pyFragCatalog ..........................   Passed    0.71 sec
 test 105
         Start 105: testPBF
 
 105: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testPBF
 105: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 105: Test timeout computed to be: 1500
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-105: [08:07:52] -------------------------------------
-105: [08:07:52]     Basic PBF tests.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: 100
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-103: [08:07:52] -------------------------------------
-103: [08:07:52]     Test empty molecule BCUT.
- 94/223 Test #103: testBCUT ...............................   Passed    0.30 sec
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+105: [04:48:28] -------------------------------------
+105: [04:48:28]     Basic PBF tests.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+101: [04:48:29]   done
+101: [04:48:29] -------------------------------------
+101: [04:48:29]     Test Github #3806: NaNs from AUTOCORR2D descriptor
+101: [04:48:29]   done
+ 94/223 Test #101: testAUTOCORR2D .........................   Passed    0.52 sec
 test 106
         Start 106: testRDFcustom
 
 106: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
 106: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 106: Test timeout computed to be: 1500
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-97: .............[08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-105: [08:07:52]   done
-105: [08:07:52] -------------------------------------
-105: [08:07:52]     PBF edge cases.
-105: [08:07:52]   done
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
- 95/223 Test #105: testPBF ................................   Passed    0.21 sec
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: 100
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: 200
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+105: [04:48:29]   done
+105: [04:48:29] -------------------------------------
+105: [04:48:29]     PBF edge cases.
+105: [04:48:29]   done
+ 95/223 Test #105: testPBF ................................   Passed    0.36 sec
 test 107
         Start 107: testRDF
 
 107: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDF
 107: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 107: Test timeout computed to be: 1500
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-97: [08:07:52] SMILES Parse Error: syntax error while parsing: ---
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-97: [08:07:52] dasfsadf
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: 200
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-97: .[08:07:52] SMILES Parse Error: syntax error while parsing: mydoghasfleas
-97: [08:07:52] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 104: 300
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 96/223 Test  #40: resMolSupplierTest .....................   Passed    3.38 sec
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103: [04:48:29] -------------------------------------
+103: [04:48:29]     Test empty molecule BCUT.
+ 96/223 Test #103: testBCUT ...............................   Passed    0.72 sec
 test 108
         Start 108: testMORSE
 
 108: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
 108: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 108: Test timeout computed to be: 1500
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 104: 400
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: [04:48:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: Elapsed time: 0.824976 s
+104: Errors:0
+104: [04:48:29] test on : 500 molecules done
+ 97/223 Test #104: testEEM ................................   Passed    0.88 sec
+test 109
+        Start 109: test3D
+
+109: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D
+109: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+109: Test timeout computed to be: 1500
+106: =>start test rdf custom
+106: [04:48:29] test on : 365 molecules done
+109: [04:48:29] -------------------------------------
+109: [04:48:29]     Basic PMI tests.
+109: [04:48:29]   done
+109: [04:48:29] -------------------------------------
+109: [04:48:29]     More PMI/NPR tests.
+109: [04:48:29]   done
+109: [04:48:29] -------------------------------------
+109: [04:48:29]     Basic NPR tests.
+97: .............[04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+97: [04:48:30] SMILES Parse Error: syntax error while parsing: ---
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+97: [04:48:30] dasfsadf
+107: =>start test rdf
+107: [04:48:30] test on : 365 molecules done
+ 98/223 Test #107: testRDF ................................   Passed    0.80 sec
+test 110
+        Start 110: testWHIM
+
+110: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
+110: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+110: Test timeout computed to be: 1500
+97: .[04:48:30] SMILES Parse Error: syntax error while parsing: mydoghasfleas
+97: [04:48:30] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
+109: [04:48:30]   done
+109: [04:48:30] -------------------------------------
+109: [04:48:30]     PMI edge cases.
+109: [04:48:30]   done
+109: [04:48:30] -------------------------------------
+109: [04:48:30]     NPR edge cases.
+109: [04:48:30]   done
+109: [04:48:30] -------------------------------------
+109: [04:48:30]     3D descriptors.
+109: [04:48:30]   done
+109: [04:48:30] -------------------------------------
+109: [04:48:30]     3D descriptor edge cases.
+109: [04:48:30]   done
+109: [04:48:30] -------------------------------------
+109: [04:48:30]     Inertial shape factor.
+109: [04:48:30]   done
+ 99/223 Test #109: test3D .................................   Passed    0.51 sec
+test 111
+        Start 111: testGETAWAY
+
+111: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
+111: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
+111: Test timeout computed to be: 1500
 97: .......
 97: ----------------------------------------------------------------------
-97: Ran 21 tests in 0.731s
+97: Ran 21 tests in 1.535s
 97: 
 97: OK
 97: (Five aromatic carbons And (Not any of Five aromatic carbons))
@@ -19078,94 +19200,9 @@
 97: 1
 97: 2
 97: running
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: [08:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-104: Elapsed time: 0.518446 s
-104: Errors:0
-104: [08:07:52] test on : 500 molecules done
- 97/223 Test #104: testEEM ................................   Passed    0.55 sec
-test 109
-        Start 109: test3D
-
-109: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D
-109: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-109: Test timeout computed to be: 1500
-106: =>start test rdf custom
-106: [08:07:52] test on : 365 molecules done
-109: [08:07:52] -------------------------------------
-109: [08:07:52]     Basic PMI tests.
- 98/223 Test  #97: pyFilterCatalog ........................   Passed    1.31 sec
-test 110
-        Start 110: testWHIM
-
-110: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
-110: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-110: Test timeout computed to be: 1500
-107: =>start test rdf
-107: [08:07:52] test on : 365 molecules done
-109: [08:07:52]   done
-109: [08:07:52] -------------------------------------
-109: [08:07:52]     More PMI/NPR tests.
-109: [08:07:52]   done
-109: [08:07:52] -------------------------------------
-109: [08:07:52]     Basic NPR tests.
- 99/223 Test #107: testRDF ................................   Passed    0.51 sec
-test 111
-        Start 111: testGETAWAY
-
-111: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
-111: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
-111: Test timeout computed to be: 1500
-109: [08:07:53]   done
-109: [08:07:53] -------------------------------------
-109: [08:07:53]     PMI edge cases.
-109: [08:07:53]   done
-109: [08:07:53] -------------------------------------
-109: [08:07:53]     NPR edge cases.
-109: [08:07:53]   done
-109: [08:07:53] -------------------------------------
-109: [08:07:53]     3D descriptors.
-109: [08:07:53]   done
-109: [08:07:53] -------------------------------------
-109: [08:07:53]     3D descriptor edge cases.
-109: [08:07:53]   done
-109: [08:07:53] -------------------------------------
-109: [08:07:53]     Inertial shape factor.
-109: [08:07:53]   done
-100/223 Test #109: test3D .................................   Passed    0.46 sec
+106: =>start test morse custom
+106: [04:48:30] test on : 365 molecules done
+100/223 Test  #97: pyFilterCatalog ........................   Passed    2.28 sec
 test 112
         Start 112: testAUTOCORR3D
 
@@ -19173,8 +19210,8 @@
 112: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 112: Test timeout computed to be: 1500
 110: =>start test WHIM
-110: [08:07:53] test on : 365 molecules done
-101/223 Test #110: testWHIM ...............................   Passed    0.35 sec
+110: [04:48:30] test on : 365 molecules done
+101/223 Test #110: testWHIM ...............................   Passed    0.40 sec
 test 113
         Start 113: testCoulombMat
 
@@ -19183,41 +19220,39 @@
 113: Test timeout computed to be: 1500
 113: ===================== Testing CoulombMat  =======================
 113: CM test 1 mat Done
-102/223 Test #113: testCoulombMat .........................   Passed    0.04 sec
+102/223 Test #113: testCoulombMat .........................   Passed    0.05 sec
 test 114
         Start 114: descriptorsTestCatch
 
 114: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
 114: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors
 114: Test timeout computed to be: 1500
-114: Randomness seeded to: 3879809061
+114: Randomness seeded to: 2280435093
 114: ===============================================================================
 114: All tests passed (482 assertions in 7 test cases)
 114: 
-103/223 Test #114: descriptorsTestCatch ...................   Passed    0.06 sec
+103/223 Test #114: descriptorsTestCatch ...................   Passed    0.07 sec
 test 115
         Start 115: pyMolDescriptors
 
 115: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
 115: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 115: Test timeout computed to be: 1500
+64: [04:48:30] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+64: [04:48:30] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 108: =>start test MORSE
 108: =>read file
-108: [08:07:53] test on : 365 molecules done
-104/223 Test #108: testMORSE ..............................   Passed    0.82 sec
+108: [04:48:30] test on : 365 molecules done
+104/223 Test #108: testMORSE ..............................   Passed    1.28 sec
 test 116
         Start 116: pyMolDescriptors3D
 
 116: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/test3D.py"
 116: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 116: Test timeout computed to be: 1500
-64: [08:07:53] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-64: [08:07:53] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-106: =>start test morse custom
-106: [08:07:53] test on : 365 molecules done
 64: ----------------------------------
 64: ----------------------------------
-64: [08:07:53] 
+64: [04:48:30] 
 64: 
 64: ****
 64: Pre-condition Violation
@@ -19226,10 +19261,10 @@
 64: Failed Expression: rlabel >= 0 && rlabel < 100
 64: ****
 64: 
-64: [08:07:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+64: [04:48:30] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
 112: =>start test autocorr3D
-112: [08:07:53] test on : 365 molecules done
-105/223 Test #112: testAUTOCORR3D .........................   Passed    0.44 sec
+112: [04:48:30] test on : 365 molecules done
+105/223 Test #112: testAUTOCORR3D .........................   Passed    0.46 sec
 test 117
         Start 117: testFingerprints
 
@@ -19237,7 +19272,7 @@
 117: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 117: Test timeout computed to be: 1500
 106: =>start test AUTOCORR3D custom
-106: [08:07:53] test on : 365 molecules done
+106: [04:48:30] test on : 365 molecules done
 117: 
 117: 
 117: 
@@ -19721,127 +19756,109 @@
 117: 
 117: -------------------
 117: 
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Morgan Fingerprints.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Morgan Fingerprints using fromAtoms argument.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Morgan Fingerprints as bit vects.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Morgan Fingerprints with feature invariants.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test additional Morgan fingerprints options.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Atom Codes.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Atom Pairs.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Atom Pairs part 2.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Topological Torsions.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Bulk Topological Torsions.
-106: =>start test 2 WHIM custom
-106: [08:07:53] test on : 365 molecules done
-64: [08:07:53] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-64: [08:07:53] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-64: [08:07:53] Empty atom list: 'M  ALS   1  0 F' on line 8.
-64: de_DE.UTF-8
-64: [08:07:53] -------------------------------------
-64: [08:07:53]     Test multithreading Locale Switching
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Hashed Atom Pairs.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Hashed torsions.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Rooted Atom Pairs.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test ignoring atoms in Atom Pairs.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Rooted Topological Torsions.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test ignoring atoms in Topological Torsions.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test atom info from morgan fingerprints.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test atom info from morgan fingerprints including Info Redundant Environments.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53] -------------------------------------
-117: [08:07:53] -------------------------------------
-117: [08:07:53] -------------------------------------
-117: [08:07:53] -------------------------------------
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Atom Pairs including info about chirality.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test Topological Torsions including info about chirality.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test GitHub Issue 25: fingerprint backwards compatibility.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test GitHub Issue 151: PatternFingerprint problems
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test 3D atom pairs.
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
-117: [08:07:53]   done
-117: [08:07:53] -------------------------------------
-117: [08:07:53]     Test multithreading with the pattern FP
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Morgan Fingerprints.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Morgan Fingerprints using fromAtoms argument.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Morgan Fingerprints as bit vects.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Morgan Fingerprints with feature invariants.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test additional Morgan fingerprints options.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Atom Codes.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Atom Pairs.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Atom Pairs part 2.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Topological Torsions.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Bulk Topological Torsions.
+67: [04:48:31] Finished: testSmiCorrectness()
+67: [04:48:31] -----------------------------------------
+67: 
+67: [04:48:31] 
+67: -----------------------------------------
+64: [04:48:31] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+64: [04:48:31] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Hashed Atom Pairs.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Hashed torsions.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Rooted Atom Pairs.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test ignoring atoms in Atom Pairs.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Rooted Topological Torsions.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test ignoring atoms in Topological Torsions.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test atom info from morgan fingerprints.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test atom info from morgan fingerprints including Info Redundant Environments.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31] -------------------------------------
+117: [04:48:31] -------------------------------------
+67: [04:48:31] Spurious data before the first property will be ignored
+67: [04:48:31] Property <ID> will be truncated after the first blank line
+67: [04:48:31] Property <ID> will be truncated after the first blank line
+67: [04:48:31] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+117: [04:48:31] -------------------------------------
+117: [04:48:31] -------------------------------------
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Atom Pairs including info about chirality.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test Topological Torsions including info about chirality.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test GitHub Issue 25: fingerprint backwards compatibility.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test GitHub Issue 151: PatternFingerprint problems
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test 3D atom pairs.
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
+117: [04:48:31]   done
+117: [04:48:31] -------------------------------------
+117: [04:48:31]     Test multithreading with the pattern FP
 117: reading molecules
+64: [04:48:31] Empty atom list: 'M  ALS   1  0 F' on line 8.
+64: de_DE.UTF-8
+64: [04:48:31] -------------------------------------
+64: [04:48:31]     Test multithreading Locale Switching
 117: pass 1
 117:  launch :0
 117:  launch :1
 117:  launch :2
 117:  launch :3
-64: [08:07:53]     Test multithreading (Done)
-64: [08:07:53] -------------------------------------
-64: ***************************************
-64: ***************************************
-64: [08:07:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [08:07:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Issue252: Bad definitions for Crippen atom types.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of ChiVs.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of ChiNs.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of HallKierAlpha.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of Kappa1.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of Kappa2.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of Kappa3.
-115: .....[08:07:53] 
+106: =>start test 2 WHIM custom
+106: [04:48:31] test on : 365 molecules done
+115: .....[04:48:31] 
 115: 
 115: ****
 115: Pre-condition Violation
@@ -19850,67 +19867,9 @@
 115: Failed Expression: atom_props.size() == num_atoms
 115: ****
 115: 
-64: [08:07:53] bond with order 0 found on line 7. This is not part of the MDL specification.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Crippen atom type calculations.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test ring descriptors
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test other count descriptors.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test MQN
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test GitHub Issue 56.
-100: [08:07:53] WARNING: not removing hydrogen atom without neighbors
-100: [08:07:53] WARNING: not removing hydrogen atom without neighbors
-100: [08:07:53] WARNING: not removing hydrogen atom without neighbors
-100: [08:07:53] WARNING: not removing hydrogen atom without neighbors
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github92: Bad Crippen atom type for pyrrole H.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github362: order dependence  in Kier-Hall descriptors.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test calculation of spiro and bridgehead counts.
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github694: ExactMolWt ignoring the mass of the electron
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Testing Properties and KitchenSink
-106: =>start test 1 WHIM custom
-106: [08:07:53] test on : 365 molecules done
-100: [08:07:53] ---Caught keyerror (bad property name)---
-100: [08:07:53] ---Caught stereo value error---
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test USR Descriptor
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github #1973: support P and S terms for TPSA calculation
-100: [08:07:53]   done
-100: [08:07:53] -------------------------------------
-100: [08:07:53]     Test Github #2948: Empty molecule has non-zero LabuteASA
-100: [08:07:53]   done
-106/223 Test #100: testDescriptors ........................   Passed    2.07 sec
-test 118
-        Start 118: testMHFPFingerprint
-
-118: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
-118: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
-118: Test timeout computed to be: 1500
 115: .........................
 115: ----------------------------------------------------------------------
-115: Ran 30 tests in 0.042s
+115: Ran 30 tests in 0.025s
 115: 
 115: OK
 115: exactmw 78.046950192
@@ -19958,199 +19917,276 @@
 115: Phi 0.9130327103921437
 115: exactmw 78.046950192
 115: lipinskiHBA 0.0
-64: [08:07:53] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-64: [08:07:53] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-64: [08:07:53] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-116: ........
-116: ----------------------------------------------------------------------
-116: Ran 8 tests in 0.101s
-116: 
-116: OK
-118: [08:07:53] -------------------------------------
-118: [08:07:53] Test MHFP fingerprint encoder initialization
-64: generating smiles
-64: 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
-64: converting back
-118: [08:07:53]   done
-118: [08:07:53] -------------------------------------
-118: [08:07:53] Test MHFP shingling creation
-64: check isomorphism
-118: [08:07:53]   done
-118: [08:07:53] -------------------------------------
-118: [08:07:53] Test MHFP hashing of string and uint arrays
-118: [08:07:53]   done
-118: [08:07:53] -------------------------------------
-118: [08:07:53] Test SECFP fingerprint functionality
-118: [08:07:53]   done
-107/223 Test #118: testMHFPFingerprint ....................   Passed    0.07 sec
+64: [04:48:31]     Test multithreading (Done)
+64: [04:48:31] -------------------------------------
+106/223 Test #115: pyMolDescriptors .......................   Passed    0.82 sec
+test 118
+        Start 118: testMHFPFingerprint
+
+118: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
+118: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
+118: Test timeout computed to be: 1500
+64: ***************************************
+64: ***************************************
+118: [04:48:31] -------------------------------------
+118: [04:48:31] Test MHFP fingerprint encoder initialization
+64: [04:48:31] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+64: [04:48:31] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+118: [04:48:31]   done
+118: [04:48:31] -------------------------------------
+118: [04:48:31] Test MHFP shingling creation
+64: [04:48:31] bond with order 0 found on line 7. This is not part of the MDL specification.
+118: [04:48:31]   done
+118: [04:48:31] -------------------------------------
+118: [04:48:31] Test MHFP hashing of string and uint arrays
+118: [04:48:31]   done
+118: [04:48:31] -------------------------------------
+118: [04:48:31] Test SECFP fingerprint functionality
+118: [04:48:31]   done
+107/223 Test #118: testMHFPFingerprint ....................   Passed    0.06 sec
 test 119
         Start 119: testFingerprintGenerators
 
 119: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
 119: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 119: Test timeout computed to be: 1500
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test atom-pair fp generator
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test atom-pair fp generator with different arguments
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
-108/223 Test #116: pyMolDescriptors3D .....................   Passed    0.58 sec
+64: [04:48:31] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+64: [04:48:31] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+64: [04:48:31] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test atom-pair fp generator
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test atom-pair fp generator with different arguments
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
+64: generating smiles
+64: 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
+64: converting back
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test atom-pair additional output
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Folded Atom Pairs.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Rooted Atom Pairs.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test ignoring atoms in Atom Pairs.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Atom Pairs including info about chirality.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Morgan Fingerprints.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test morgan fp generator
+64: check isomorphism
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Morgan Fingerprints using fromAtoms argument.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Morgan Fingerprints as bit vects.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Morgan Fingerprints with feature invariants.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test additional Morgan fingerprints options.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Single atoms setting radius 1 bits in Morgan fingerprints  
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test different invariant generator combinations
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test invariant overriding
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test RDKit fp generator
+67: [04:48:31] Finished: testSDCorrectness()
+67: [04:48:31] -----------------------------------------
+67: 
+108/223 Test  #67: testMultithreadedMolSupplier ...........   Passed    6.31 sec
 test 120
         Start 120: fpTestCatch
 
 120: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
 120: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 120: Test timeout computed to be: 1500
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test atom-pair additional output
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Folded Atom Pairs.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Rooted Atom Pairs.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test ignoring atoms in Atom Pairs.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Atom Pairs including info about chirality.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Morgan Fingerprints.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test morgan fp generator
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Morgan Fingerprints using fromAtoms argument.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Morgan Fingerprints as bit vects.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test Morgan Fingerprints with feature invariants.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test additional Morgan fingerprints options.
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53]     Single atoms setting radius 1 bits in Morgan fingerprints  
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test different invariant generator combinations
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test invariant overriding
-119: [08:07:53]   done
-119: [08:07:53] -------------------------------------
-119: [08:07:53] Test RDKit fp generator
-109/223 Test #115: pyMolDescriptors .......................   Passed    0.73 sec
+117: pass 2
+117:  launch :0
+117:  launch :1
+117:  launch :2
+117:  launch :3
+120: Randomness seeded to: 2633254191
+120: ===============================================================================
+120: All tests passed (166 assertions in 14 test cases)
+120: 
+109/223 Test #120: fpTestCatch ............................   Passed    0.08 sec
 test 121
         Start 121: fpGenTestCatch
 
 121: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
 121: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints
 121: Test timeout computed to be: 1500
-120: Randomness seeded to: 2778856895
-120: ===============================================================================
-120: All tests passed (166 assertions in 14 test cases)
-120: 
-110/223 Test #120: fpTestCatch ............................   Passed    0.04 sec
+106: =>start test 1 WHIM custom
+106: [04:48:31] test on : 365 molecules done
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test unfolded version of RDKFP   
+119: [04:48:31] -------------------------------------
+119: [04:48:31] Test topological torsion fp generator
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Topological Torsions.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Folded torsions.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Bulk Topological Torsions.
+116: ........
+116: ----------------------------------------------------------------------
+116: Ran 8 tests in 0.353s
+116: 
+116: OK
+121: Randomness seeded to: 2156604168
+121: ===============================================================================
+121: All tests passed (2678 assertions in 4 test cases)
+121: 
+110/223 Test #121: fpGenTestCatch .........................   Passed    0.26 sec
 test 122
         Start 122: pyTestGenerator
 
 122: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
 122: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 122: Test timeout computed to be: 1500
-117: pass 2
-117:  launch :0
-117:  launch :1
-117:  launch :2
-117:  launch :3
-121: Randomness seeded to: 431266938
-121: ===============================================================================
-121: All tests passed (2678 assertions in 4 test cases)
-121: 
-111/223 Test #121: fpGenTestCatch .........................   Passed    0.15 sec
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Rooted Topological Torsions.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test ignoring atoms in Topological Torsions.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test Topological Torsions including info about chirality.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test GitHub Issue 25: fingerprint backwards compatibility.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+119: [04:48:31]   done
+119: [04:48:31] -------------------------------------
+119: [04:48:31]     Test convenience and bulk fp calculation functions
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Issue252: Bad definitions for Crippen atom types.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of ChiVs.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of ChiNs.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of HallKierAlpha.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of Kappa1.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of Kappa2.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of Kappa3.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Crippen atom type calculations.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test ring descriptors
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test other count descriptors.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test MQN
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test GitHub Issue 56.
+100: [04:48:32] WARNING: not removing hydrogen atom without neighbors
+100: [04:48:32] WARNING: not removing hydrogen atom without neighbors
+100: [04:48:32] WARNING: not removing hydrogen atom without neighbors
+100: [04:48:32] WARNING: not removing hydrogen atom without neighbors
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github92: Bad Crippen atom type for pyrrole H.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github362: order dependence  in Kier-Hall descriptors.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test calculation of spiro and bridgehead counts.
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github694: ExactMolWt ignoring the mass of the electron
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Testing Properties and KitchenSink
+100: [04:48:32] ---Caught keyerror (bad property name)---
+100: [04:48:32] ---Caught stereo value error---
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test USR Descriptor
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github #1973: support P and S terms for TPSA calculation
+100: [04:48:32]   done
+100: [04:48:32] -------------------------------------
+100: [04:48:32]     Test Github #2948: Empty molecule has non-zero LabuteASA
+100: [04:48:32]   done
+111/223 Test #100: testDescriptors ........................   Passed    3.76 sec
 test 123
         Start 123: pyTestMHFP
 
 123: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
 123: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 123: Test timeout computed to be: 1500
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test unfolded version of RDKFP   
-119: [08:07:54] -------------------------------------
-119: [08:07:54] Test topological torsion fp generator
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test Topological Torsions.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test Folded torsions.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test Bulk Topological Torsions.
-111: =>start test GETAWAY
-111: [08:07:54] test on : 365 molecules done
-112/223 Test #111: testGETAWAY ............................   Passed    1.31 sec
+112/223 Test #116: pyMolDescriptors3D .....................   Passed    1.36 sec
 test 124
         Start 124: testPartialCharges
 
 124: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
 124: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges
 124: Test timeout computed to be: 1500
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test Rooted Topological Torsions.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test ignoring atoms in Topological Torsions.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test Topological Torsions including info about chirality.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test GitHub Issue 25: fingerprint backwards compatibility.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test convenience and bulk fp calculation functions
-113/223 Test #124: testPartialCharges .....................   Passed    0.03 sec
+113/223 Test #124: testPartialCharges .....................   Passed    0.05 sec
 test 125
         Start 125: pyPartialCharges
 
 125: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
 125: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
 125: Test timeout computed to be: 1500
-67: [08:07:54] Finished: testSmiCorrectness()
-67: [08:07:54] -----------------------------------------
-67: 
-67: [08:07:54] 
-67: -----------------------------------------
-67: [08:07:54] Spurious data before the first property will be ignored
-67: [08:07:54] Property <ID> will be truncated after the first blank line
-67: [08:07:54] Property <ID> will be truncated after the first blank line
-67: [08:07:54] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-119: [08:07:54]   done
-119: [08:07:54] -------------------------------------
-119: [08:07:54]     Test GitHub Issue #6958
-114/223 Test #119: testFingerprintGenerators ..............   Passed    0.59 sec
+119: [04:48:32]   done
+119: [04:48:32] -------------------------------------
+119: [04:48:32]     Test GitHub Issue #6958
+114/223 Test #119: testFingerprintGenerators ..............   Passed    0.79 sec
 test 126
         Start 126: testMolTransforms
 
@@ -20187,7 +20223,7 @@
 126: 	 testWeightedCentroid 
 126: 
 126: ***********************************************************
-115/223 Test #126: testMolTransforms ......................   Passed    0.03 sec
+115/223 Test #126: testMolTransforms ......................   Passed    0.05 sec
 test 127
         Start 127: pyMolTransforms
 
@@ -20196,81 +20232,66 @@
 127: Test timeout computed to be: 1500
 123: ..
 123: ----------------------------------------------------------------------
-123: Ran 2 tests in 0.037s
+123: Ran 2 tests in 0.018s
 123: 
 123: OK
-116/223 Test #123: pyTestMHFP .............................   Passed    0.57 sec
+116/223 Test #123: pyTestMHFP .............................   Passed    0.40 sec
 test 128
         Start 128: testMMFFForceFieldHelpers
 
 128: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
 128: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 128: Test timeout computed to be: 1500
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Test MMFF atom types.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing MMFF builder tools.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing MMFF builder+minimization.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing Issue239.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing calcEnergy with passed coords.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing calcGrad.
 122: .............
 122: ----------------------------------------------------------------------
-122: Ran 13 tests in 0.165s
+122: Ran 13 tests in 0.182s
 122: 
 122: OK
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Test MMFF atom types.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing MMFF builder tools.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing MMFF builder+minimization.
-125: .......
-125: ----------------------------------------------------------------------
-125: Ran 7 tests in 0.102s
-125: 
-125: OK
-127: ........
-127: ----------------------------------------------------------------------
-127: Ran 8 tests in 0.024s
-127: 
-127: OK
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing Issue239.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing calcEnergy with passed coords.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing calcGrad.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing Issue242.
-117/223 Test #127: pyMolTransforms ........................   Passed    0.33 sec
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing Issue242.
+111: =>start test GETAWAY
+111: [04:48:32] test on : 365 molecules done
+117/223 Test #111: testGETAWAY ............................   Passed    2.39 sec
 test 129
         Start 129: testMMFFForceFieldHelpersMultiThread
 
 129: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
 129: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 129: Test timeout computed to be: 1500
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing github 308: crash during MMFF parameterization .
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing SFIssue1653802.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Testing SFIssue2378119.
-128: [08:07:54]   done
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Test MMFF force-field parameter getters.
-128: [08:07:54] -------------------------------------
-128: [08:07:54]     Test MMFF multithreading
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing github 308: crash during MMFF parameterization .
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing SFIssue1653802.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Testing SFIssue2378119.
+128: [04:48:32]   done
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Test MMFF force-field parameter getters.
+128: [04:48:32] -------------------------------------
+128: [04:48:32]     Test MMFF multithreading
 128: generating reference data
-129: [08:07:54] -------------------------------------
-129: [08:07:54]     Test MMFF multithreading
-118/223 Test #122: pyTestGenerator ........................   Passed    0.91 sec
-test 130
-        Start 130: testUFFForceFieldHelpers
-
-130: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
-130: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
-130: Test timeout computed to be: 1500
+129: [04:48:32] -------------------------------------
+129: [04:48:32]     Test MMFF multithreading
 129: processing
 129:  launch :0
 129:  launch :1
@@ -20296,31 +20317,13 @@
 129:  launch :21
 129:  launch :22
 129:  launch :23
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Test UFF atom labels.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Test UFF atom typer.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing UFF builder tools.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing UFF builder+minimization.
-119/223 Test #125: pyPartialCharges .......................   Passed    0.66 sec
-test 131
-        Start 131: testCrystalForceField
-
-131: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
-131: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
-131: Test timeout computed to be: 1500
-64: [08:07:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-64: [08:07:54]  deprecated group abbreviation ignored on line 24
+64: [04:48:32] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:32] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:32] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:32] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+64: [04:48:32]  deprecated group abbreviation ignored on line 24
 64: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-64: [08:07:54] 
+64: [04:48:32] 
 64: 
 64: ****
 64: Post-condition Violation
@@ -20329,569 +20332,518 @@
 64: Failed Expression: anum > -1
 64: ****
 64: 
+118/223 Test #122: pyTestGenerator ........................   Passed    0.83 sec
+test 130
+        Start 130: testUFFForceFieldHelpers
+
+130: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
+130: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
+130: Test timeout computed to be: 1500
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Test UFF atom labels.
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Test UFF atom typer.
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing UFF builder tools.
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing UFF builder+minimization.
+127: ........
+127: ----------------------------------------------------------------------
+127: Ran 8 tests in 0.046s
+127: 
+127: OK
+125: .......
+125: ----------------------------------------------------------------------
+125: Ran 7 tests in 0.147s
+125: 
+125: OK
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing UFF special cases.
+130: [04:48:32] UFFTYPER: Unrecognized charge state for atom: 0
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing Issue239.
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing calcEnergy with passed coords.
+130: [04:48:32]   done
+130: [04:48:32] -------------------------------------
+130: [04:48:32]     Testing calcGrad.
+128: processing
+128:  launch :0
+128:  launch :1
+128:  launch :2
+128:  launch :3
+130: [04:48:33]   done
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Testing SFIssue1653802.
+130: [04:48:33]   done
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Testing SFIssue2378119.
+130: [04:48:33]   done
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Test UFF force-field parameter getters.
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Testing handling missing parameters.
+130: [04:48:33] UFFTYPER: Unrecognized hybridization for atom: 0
+130: [04:48:33] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+128: [04:48:33] Rep: 0 Mol:2
+130: [04:48:33] UFFTYPER: Unrecognized hybridization for atom: 0
+130: [04:48:33] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+128: [04:48:33] Rep: 0 Mol:0
+130: [04:48:33]   done
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Testing SFIssue3009337.
+130: [04:48:33]   done
+130: [04:48:33] -------------------------------------
+130: [04:48:33]     Test UFF multithreading
+128: [04:48:33] Rep: 0 Mol:1
+119/223 Test #127: pyMolTransforms ........................   Passed    0.69 sec
+test 131
+        Start 131: testCrystalForceField
+
+131: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
+131: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
+131: Test timeout computed to be: 1500
+128: [04:48:33] Rep: 0 Mol:5
+128: [04:48:33] Rep: 0 Mol:3
+128: [04:48:33] Rep: 0 Mol:9
+128: [04:48:33] Rep: 0 Mol:13
+128: [04:48:33] Rep: 0 Mol:4
+128: [04:48:33] Rep: 0 Mol:17
+128: [04:48:33] Rep: 0 Mol:6
+130: generating reference data
+128: [04:48:33] Rep: 0 Mol:10
 131: -------------------------------------
 131:  Test CrystalFF torsional term.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing UFF special cases.
-130: [08:07:54] UFFTYPER: Unrecognized charge state for atom: 0
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing Issue239.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing calcEnergy with passed coords.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing calcGrad.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing SFIssue1653802.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing SFIssue2378119.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Test UFF force-field parameter getters.
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing handling missing parameters.
-130: [08:07:54] UFFTYPER: Unrecognized hybridization for atom: 0
-130: [08:07:54] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-130: [08:07:54] UFFTYPER: Unrecognized hybridization for atom: 0
-130: [08:07:54] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Testing SFIssue3009337.
-130: [08:07:54]   done
-130: [08:07:54] -------------------------------------
-130: [08:07:54]     Test UFF multithreading
-130: generating reference data
-120/223 Test #131: testCrystalForceField ..................   Passed    0.16 sec
+129: done
+128: [04:48:33] Rep: 0 Mol:8
+129: [04:48:33]   done
+128: [04:48:33] Rep: 0 Mol:12
+128: [04:48:33] Rep: 0 Mol:16
+128: [04:48:33] Rep: 0 Mol:7
+128: [04:48:33] Rep: 0 Mol:21
+128: [04:48:33] Rep: 0 Mol:11
+128: [04:48:33] Rep: 0 Mol:15
+128: [04:48:33] Rep: 0 Mol:25
+128: [04:48:33] Rep: 0 Mol:19
+128: [04:48:33] Rep: 0 Mol:20
+128: [04:48:33] Rep: 0 Mol:23
+128: [04:48:33] Rep: 0 Mol:27
+128: [04:48:33] Rep: 0 Mol:31
+128: [04:48:33] Rep: 0 Mol:29
+120/223 Test #129: testMMFFForceFieldHelpersMultiThread ...   Passed    0.53 sec
 test 132
         Start 132: pyForceFieldHelpers
 
 132: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
 132: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
 132: Test timeout computed to be: 1500
-128: processing
-128:  launch :0
-128:  launch :1
-128:  launch :2
-128:  launch :3
-128: [08:07:55] Rep: 0 Mol:3
-26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-128: [08:07:55] Rep: 0 Mol:1
-128: [08:07:55] Rep: 0 Mol:5
-128: [08:07:55] Rep: 0 Mol:0
-128: [08:07:55] Rep: 0 Mol:2
-128: [08:07:55] Rep: 0 Mol:9
-128: [08:07:55] Rep: 0 Mol:13
-128: [08:07:55] Rep: 0 Mol:7
-128: [08:07:55] Rep: 0 Mol:11
-128: [08:07:55] Rep: 0 Mol:15
-128: [08:07:55] Rep: 0 Mol:19
-128: [08:07:55] Rep: 0 Mol:4
-128: [08:07:55] Rep: 0 Mol:23
-128: [08:07:55] Rep: 0 Mol:27
-128: [08:07:55] Rep: 0 Mol:17
-128: [08:07:55] Rep: 0 Mol:31
-128: [08:07:55] Rep: 0 Mol:8
-128: [08:07:55] Rep: 0 Mol:12
-128: [08:07:55] Rep: 0 Mol:16
-128: [08:07:55] Rep: 0 Mol:6
-128: [08:07:55] Rep: 0 Mol:10
-128: [08:07:55] Rep: 0 Mol:21
-128: [08:07:55] Rep: 0 Mol:25
-128: [08:07:55] Rep: 0 Mol:20
-128: [08:07:55] Rep: 0 Mol:29
-106: =>start test GETAWAY custom
-106: [08:07:55] test on : 365 molecules done
-121/223 Test #106: testRDFcustom ..........................   Passed    2.84 sec
+128: [04:48:33] Rep: 0 Mol:14
+128: [04:48:33] Rep: 0 Mol:24
+128: [04:48:33] Rep: 0 Mol:18
+128: [04:48:33] Rep: 0 Mol:28
+128: [04:48:33] Rep: 0 Mol:22
+121/223 Test #125: pyPartialCharges .......................   Passed    0.96 sec
 test 133
         Start 133: testDistGeomHelpers
 
 133: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
 133: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
 133: Test timeout computed to be: 1500
-128: [08:07:55] Rep: 0 Mol:24
-128: [08:07:55] Rep: 0 Mol:28
-133: go
-133: -------------------------------------
-133: 
-128: [08:07:55] Rep: 20 Mol:3
-128: [08:07:55] Rep: 0 Mol:14
-128: [08:07:55] Rep: 0 Mol:18
-128: [08:07:55] Rep: 20 Mol:7
-128: [08:07:55] Rep: 20 Mol:11
-128: [08:07:55] Rep: 20 Mol:15
-128: [08:07:55] Rep: 20 Mol:19
-128: [08:07:55] Rep: 20 Mol:23
-128: [08:07:55] Rep: 20 Mol:27
-128: [08:07:55] Rep: 20 Mol:31
-26: All 191 tests passed
-128: [08:07:55] Rep: 0 Mol:22
-128: [08:07:55] Rep: 0 Mol:26
-128: [08:07:55] Rep: 0 Mol:30
-129: done
-129: [08:07:55]   done
-26: 
-26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
-122/223 Test #129: testMMFFForceFieldHelpersMultiThread ...   Passed    0.47 sec
+128: [04:48:33] Rep: 0 Mol:26
+128: [04:48:33] Rep: 0 Mol:30
+122/223 Test #131: testCrystalForceField ..................   Passed    0.18 sec
 test 134
         Start 134: distGeomHelpersCatch
 
 134: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
 134: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers
 134: Test timeout computed to be: 1500
-134: Randomness seeded to: 1463876157
-128: [08:07:55] Rep: 40 Mol:3
-128: [08:07:55] Rep: 40 Mol:7
-128: [08:07:55] Rep: 40 Mol:11
-128: [08:07:55] Rep: 40 Mol:15
-128: [08:07:55] Rep: 40 Mol:19
-128: [08:07:55] Rep: 40 Mol:23
-128: [08:07:55] Rep: 40 Mol:27
+133: go
+133: -------------------------------------
+133: 
+134: Randomness seeded to: 2514370817
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] 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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [!#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)] 
+134: [04:48:33] [!#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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: -----------
 130: processing
 130:  launch :0
 130:  launch :1
 130:  launch :2
 130:  launch :3
-130: [08:07:55] Rep: 0 Mol:0
-130: [08:07:55] Rep: 0 Mol:4
-128: [08:07:55] Rep: 40 Mol:31
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-130: [08:07:55] Rep: 0 Mol:1
-134: [08:07:55] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [$([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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [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)] 
-130: [08:07:55] Rep: 0 Mol:5
-130: [08:07:55] Rep: 0 Mol:9
-130: [08:07:55] Rep: 0 Mol:2
-130: [08:07:55] Rep: 0 Mol:3
-128: [08:07:55] Rep: 20 Mol:1
-128: [08:07:55] Rep: 20 Mol:5
-128: [08:07:55] Rep: 20 Mol:9
-128: [08:07:55] Rep: 20 Mol:13
-128: [08:07:55] Rep: 20 Mol:17
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] 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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [!#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)] 
-134: [08:07:55] [!#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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-130: [08:07:55] Rep: 0 Mol:13
-134: -----------
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$([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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] 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)] 
-134: [08:07:55] 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)] 
-134: [08:07:55] [!#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)] 
-134: [08:07:55] [!#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)] 
-134: [08:07:55] [!#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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-128: [08:07:55] Rep: 20 Mol:21
-128: [08:07:55] Rep: 20 Mol:25
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$([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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] 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)] 
+134: [04:48:33] 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)] 
+134: [04:48:33] [!#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)] 
+134: [04:48:33] [!#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)] 
+134: [04:48:33] [!#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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
 134: -----------
-128: [08:07:55] Rep: 20 Mol:29
-130: [08:07:55] Rep: 0 Mol:8
-134: [08:07:55] [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)] 
-134: [08:07:55] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$([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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] 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)] 
 134: -----------
+130: [04:48:33] Rep: 0 Mol:1
+130: [04:48:33] Rep: 0 Mol:5
+130: [04:48:33] Rep: 0 Mol:9
+130: [04:48:33] Rep: 0 Mol:0
+130: [04:48:33] Rep: 0 Mol:3
 134: -----------
-130: [08:07:55] Rep: 0 Mol:17
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-134: [08:07:55] [$(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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-134: [08:07:55] [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)] 
-130: [08:07:55] Rep: 0 Mol:12
-130: [08:07:55] Rep: 0 Mol:16
-130: [08:07:55] Rep: 0 Mol:6
-130: [08:07:55] Rep: 0 Mol:20
-130: [08:07:55] Rep: 0 Mol:10
-130: [08:07:55] Rep: 0 Mol:7
-128: [08:07:55] Rep: 20 Mol:0
-128: [08:07:55] Rep: 20 Mol:4
-128: [08:07:55] Rep: 20 Mol:8
-128: [08:07:55] Rep: 20 Mol:12
-128: [08:07:55] Rep: 20 Mol:16
-128: [08:07:55] Rep: 20 Mol:20
-128: [08:07:55] Rep: 20 Mol:24
-128: [08:07:55] Rep: 20 Mol:28
-130: [08:07:55] Rep: 0 Mol:21
-130: [08:07:55] Rep: 0 Mol:24
-130: [08:07:55] Rep: 0 Mol:28
-130: [08:07:55] Rep: 0 Mol:11
-130: [08:07:55] Rep: 0 Mol:25
-130: [08:07:55] Rep: 0 Mol:15
-130: [08:07:55] Rep: 0 Mol:19
-130: [08:07:55] Rep: 0 Mol:29
-130: [08:07:55] Rep: 0 Mol:23
-130: [08:07:55] Rep: 0 Mol:27
-130: [08:07:55] Rep: 0 Mol:31
-128: [08:07:55] Rep: 20 Mol:2
-128: [08:07:55] Rep: 20 Mol:6
-128: [08:07:55] Rep: 20 Mol:10
-128: [08:07:55] Rep: 20 Mol:14
-130: [08:07:55] Rep: 0 Mol:14
-130: [08:07:55] Rep: 0 Mol:18
-128: [08:07:55] Rep: 20 Mol:18
-128: [08:07:55] Rep: 20 Mol:22
-130: [08:07:55] Rep: 0 Mol:22
-134: [08:07:55] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
-134: [08:07:55] UFFTYPER: Unrecognized atom type: N_5 (2)
-134: [08:07:55] UFFTYPER: Unrecognized atom type: N_5 (3)
-134: [08:07:55] UFFTYPER: Unrecognized atom type: N_5 (2)
-134: [08:07:55] UFFTYPER: Unrecognized atom type: N_5 (3)
-128: [08:07:55] Rep: 20 Mol:26
-128: [08:07:55] Rep: 20 Mol:30
-130: [08:07:55] Rep: 0 Mol:26
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 1
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 1
-130: [08:07:55] Rep: 0 Mol:30
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 1
-128: [08:07:55] Rep: 60 Mol:3
-128: [08:07:55] Rep: 60 Mol:7
-128: [08:07:55] Rep: 60 Mol:11
-128: [08:07:55] Rep: 60 Mol:15
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-128: [08:07:55] Rep: 60 Mol:19
-128: [08:07:55] Rep: 60 Mol:23
-128: [08:07:55] Rep: 60 Mol:27
-128: [08:07:55] Rep: 60 Mol:31
-132: ..[08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 5
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 5
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 5
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] UFFTYPER: Unrecognized hybridization for atom: 0
-132: [08:07:55] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: .[08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: ..[08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
-132: [08:07:55] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+134: [04:48:33] [$(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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+134: [04:48:33] [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)] 
+130: [04:48:33] Rep: 0 Mol:4
+130: [04:48:33] Rep: 0 Mol:2
+130: [04:48:33] Rep: 0 Mol:13
+130: [04:48:33] Rep: 0 Mol:8
+130: [04:48:33] Rep: 0 Mol:7
+130: [04:48:33] Rep: 0 Mol:17
+130: [04:48:33] Rep: 0 Mol:11
+130: [04:48:33] Rep: 0 Mol:15
+130: [04:48:33] Rep: 0 Mol:19
+130: [04:48:33] Rep: 0 Mol:12
+130: [04:48:33] Rep: 0 Mol:16
+128: [04:48:33] Rep: 20 Mol:3
+128: [04:48:33] Rep: 20 Mol:7
+128: [04:48:33] Rep: 20 Mol:11
+128: [04:48:33] Rep: 20 Mol:15
+128: [04:48:33] Rep: 20 Mol:19
+128: [04:48:33] Rep: 20 Mol:23
+128: [04:48:33] Rep: 20 Mol:27
+128: [04:48:33] Rep: 20 Mol:31
+130: [04:48:33] Rep: 0 Mol:23
+130: [04:48:33] Rep: 0 Mol:27
+130: [04:48:33] Rep: 0 Mol:31
+130: [04:48:33] Rep: 0 Mol:6
+130: [04:48:33] Rep: 0 Mol:10
+130: [04:48:33] Rep: 0 Mol:20
+130: [04:48:33] Rep: 0 Mol:24
+130: [04:48:33] Rep: 0 Mol:21
+130: [04:48:33] Rep: 0 Mol:28
+130: [04:48:33] Rep: 0 Mol:25
+130: [04:48:33] Rep: 0 Mol:29
+130: [04:48:33] Rep: 0 Mol:14
+130: [04:48:33] Rep: 0 Mol:18
+128: [04:48:33] Rep: 20 Mol:1
+128: [04:48:33] Rep: 20 Mol:5
+128: [04:48:33] Rep: 20 Mol:9
+128: [04:48:33] Rep: 20 Mol:13
+128: [04:48:33] Rep: 20 Mol:17
+128: [04:48:33] Rep: 20 Mol:21
+128: [04:48:33] Rep: 20 Mol:25
+128: [04:48:33] Rep: 20 Mol:29
+134: [04:48:33] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
+134: [04:48:33] UFFTYPER: Unrecognized atom type: N_5 (2)
+134: [04:48:33] UFFTYPER: Unrecognized atom type: N_5 (3)
+134: [04:48:33] UFFTYPER: Unrecognized atom type: N_5 (2)
+134: [04:48:33] UFFTYPER: Unrecognized atom type: N_5 (3)
+128: [04:48:33] Rep: 20 Mol:2
+128: [04:48:33] Rep: 20 Mol:6
+128: [04:48:33] Rep: 20 Mol:10
+128: [04:48:33] Rep: 20 Mol:14
+128: [04:48:33] Rep: 20 Mol:18
+130: [04:48:33] Rep: 0 Mol:22
+130: [04:48:33] Rep: 0 Mol:26
+128: [04:48:33] Rep: 20 Mol:22
+128: [04:48:33] Rep: 20 Mol:26
+128: [04:48:33] Rep: 20 Mol:30
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 1
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 1
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 1
+130: [04:48:33] Rep: 0 Mol:30
+128: [04:48:33] Rep: 20 Mol:0
+128: [04:48:33] Rep: 20 Mol:4
+128: [04:48:33] Rep: 20 Mol:8
+128: [04:48:33] Rep: 20 Mol:12
+128: [04:48:33] Rep: 20 Mol:16
+128: [04:48:33] Rep: 20 Mol:20
+128: [04:48:33] Rep: 20 Mol:24
+128: [04:48:33] Rep: 20 Mol:28
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 5
+128: [04:48:33] Rep: 40 Mol:3
+128: [04:48:33] Rep: 40 Mol:7
+128: [04:48:33] Rep: 40 Mol:11
+128: [04:48:33] Rep: 40 Mol:15
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 5
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 5
+128: [04:48:33] Rep: 40 Mol:19
+128: [04:48:33] Rep: 40 Mol:23
+128: [04:48:33] Rep: 40 Mol:27
+128: [04:48:33] Rep: 40 Mol:31
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 6
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 6
+134: [04:48:33] UFFTYPER: Unrecognized charge state for atom: 6
+128: [04:48:33] Rep: 40 Mol:1
+128: [04:48:33] Rep: 40 Mol:5
+128: [04:48:33] Rep: 40 Mol:9
+128: [04:48:33] Rep: 40 Mol:13
+128: [04:48:33] Rep: 40 Mol:17
+128: [04:48:33] Rep: 40 Mol:21
+128: [04:48:33] Rep: 40 Mol:25
+128: [04:48:33] Rep: 40 Mol:29
+128: [04:48:33] Rep: 40 Mol:2
+128: [04:48:33] Rep: 40 Mol:6
+128: [04:48:33] Rep: 40 Mol:10
+128: [04:48:33] Rep: 40 Mol:14
+128: [04:48:33] Rep: 40 Mol:18
+128: [04:48:33] Rep: 40 Mol:22
+128: [04:48:33] Rep: 40 Mol:26
+128: [04:48:33] Rep: 40 Mol:30
+130: [04:48:33] Rep: 100 Mol:3
+130: [04:48:33] Rep: 100 Mol:7
+130: [04:48:33] Rep: 100 Mol:11
+130: [04:48:33] Rep: 100 Mol:15
+130: [04:48:33] Rep: 100 Mol:19
+130: [04:48:33] Rep: 100 Mol:23
+130: [04:48:33] Rep: 100 Mol:27
+130: [04:48:33] Rep: 100 Mol:31
+128: [04:48:33] Rep: 60 Mol:3
+128: [04:48:33] Rep: 60 Mol:7
+128: [04:48:33] Rep: 60 Mol:11
+128: [04:48:33] Rep: 60 Mol:15
+128: [04:48:33] Rep: 60 Mol:19
+128: [04:48:33] Rep: 60 Mol:23
+128: [04:48:33] Rep: 60 Mol:27
+128: [04:48:33] Rep: 60 Mol:31
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: ..[04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+128: [04:48:33] Rep: 40 Mol:0
+128: [04:48:33] Rep: 40 Mol:4
+128: [04:48:33] Rep: 40 Mol:8
+128: [04:48:33] Rep: 40 Mol:12
+128: [04:48:33] Rep: 40 Mol:16
+128: [04:48:33] Rep: 40 Mol:20
+128: [04:48:33] Rep: 40 Mol:24
+128: [04:48:33] Rep: 40 Mol:28
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [04:48:33] Rep: 100 Mol:0
+130: [04:48:33] Rep: 100 Mol:4
+130: [04:48:33] Rep: 100 Mol:8
+130: [04:48:33] Rep: 100 Mol:12
+130: [04:48:33] Rep: 100 Mol:16
+130: [04:48:33] Rep: 100 Mol:20
+130: [04:48:33] Rep: 100 Mol:24
+130: [04:48:33] Rep: 100 Mol:28
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+128: [04:48:33] Rep: 60 Mol:1
+128: [04:48:33] Rep: 80 Mol:3
+128: [04:48:33] Rep: 80 Mol:7
+128: [04:48:33] Rep: 80 Mol:11
+128: [04:48:33] Rep: 80 Mol:15
+128: [04:48:33] Rep: 80 Mol:19
+128: [04:48:33] Rep: 80 Mol:23
+128: [04:48:33] Rep: 80 Mol:27
+128: [04:48:33] Rep: 80 Mol:31
+132: .[04:48:33] UFFTYPER: Unrecognized hybridization for atom: 0
+132: [04:48:33] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: .[04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: ..[04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+132: [04:48:33] Molecule does not have explicit Hs. Consider calling AddHs()
+128: [04:48:33] Rep: 60 Mol:5
+128: [04:48:33] Rep: 60 Mol:9
+128: [04:48:33] Rep: 60 Mol:13
+128: [04:48:33] Rep: 60 Mol:17
+128: [04:48:33] Rep: 60 Mol:21
+128: [04:48:33] Rep: 60 Mol:2
+128: [04:48:33] Rep: 60 Mol:6
+128: [04:48:33] Rep: 60 Mol:10
+128: [04:48:33] Rep: 60 Mol:25
+128: [04:48:33] Rep: 60 Mol:29
+128: [04:48:34] Rep: 60 Mol:14
+128: [04:48:34] Rep: 60 Mol:18
+128: [04:48:34] Rep: 60 Mol:22
+128: [04:48:34] Rep: 60 Mol:26
+128: [04:48:34] Rep: 60 Mol:30
+132: [04:48:34] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [04:48:34] Rep: 100 Mol:1
+130: [04:48:34] Rep: 100 Mol:5
+130: [04:48:34] Rep: 100 Mol:9
+130: [04:48:34] Rep: 100 Mol:13
+130: [04:48:34] Rep: 100 Mol:17
+130: [04:48:34] Rep: 100 Mol:21
+130: [04:48:34] Rep: 100 Mol:25
+130: [04:48:34] Rep: 100 Mol:29
 132: ...
 132: ----------------------------------------------------------------------
-132: Ran 18 tests in 0.088s
+132: Ran 18 tests in 0.289s
 132: 
 132: OK
-128: [08:07:55] Rep: 40 Mol:1
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 6
-128: [08:07:55] Rep: 40 Mol:5
-128: [08:07:55] Rep: 40 Mol:9
-128: [08:07:55] Rep: 40 Mol:13
-128: [08:07:55] Rep: 40 Mol:17
-128: [08:07:55] Rep: 40 Mol:21
-128: [08:07:55] Rep: 40 Mol:25
-128: [08:07:55] Rep: 40 Mol:29
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 6
-134: [08:07:55] UFFTYPER: Unrecognized charge state for atom: 6
-128: [08:07:55] Rep: 80 Mol:3
-128: [08:07:55] Rep: 80 Mol:7
-128: [08:07:55] Rep: 80 Mol:11
-128: [08:07:55] Rep: 80 Mol:15
-128: [08:07:55] Rep: 80 Mol:19
-128: [08:07:55] Rep: 80 Mol:23
-128: [08:07:55] Rep: 80 Mol:27
-128: [08:07:55] Rep: 80 Mol:31
-128: [08:07:55] Rep: 40 Mol:0
-128: [08:07:55] Rep: 40 Mol:4
-128: [08:07:55] Rep: 40 Mol:8
-128: [08:07:55] Rep: 40 Mol:12
-128: [08:07:55] Rep: 40 Mol:16
-128: [08:07:55] Rep: 40 Mol:20
-128: [08:07:55] Rep: 40 Mol:24
-128: [08:07:55] Rep: 40 Mol:28
-128: [08:07:55] Rep: 40 Mol:2
-128: [08:07:55] Rep: 40 Mol:6
-128: [08:07:55] Rep: 40 Mol:10
-128: [08:07:55] Rep: 40 Mol:14
-128: [08:07:55] Rep: 40 Mol:18
-128: [08:07:55] Rep: 40 Mol:22
-128: [08:07:55] Rep: 40 Mol:26
-128: [08:07:55] Rep: 40 Mol:30
-123/223 Test #132: pyForceFieldHelpers ....................   Passed    0.64 sec
+128: [04:48:34] Rep: 60 Mol:0
+128: [04:48:34] Rep: 60 Mol:4
+128: [04:48:34] Rep: 60 Mol:8
+128: [04:48:34] Rep: 60 Mol:12
+128: [04:48:34] Rep: 60 Mol:16
+128: [04:48:34] Rep: 60 Mol:20
+128: [04:48:34] Rep: 60 Mol:24
+128: [04:48:34] Rep: 60 Mol:28
+128: [04:48:34] Rep: 80 Mol:1
+128: [04:48:34] Rep: 80 Mol:5
+128: [04:48:34] Rep: 80 Mol:9
+128: [04:48:34] Rep: 80 Mol:13
+128: [04:48:34] Rep: 80 Mol:17
+128: [04:48:34] Rep: 80 Mol:21
+128: [04:48:34] Rep: 80 Mol:25
+128: [04:48:34] Rep: 80 Mol:29
+123/223 Test #132: pyForceFieldHelpers ....................   Passed    1.16 sec
 test 135
         Start 135: pyDistGeomHelpers
 
 135: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
 135: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
 135: Test timeout computed to be: 1500
-128: [08:07:55] Rep: 60 Mol:1
-128: [08:07:55] Rep: 60 Mol:5
-128: [08:07:55] Rep: 60 Mol:9
-128: [08:07:55] Rep: 60 Mol:13
-128: [08:07:55] Rep: 60 Mol:17
-128: [08:07:55] Rep: 60 Mol:21
-128: [08:07:55] Rep: 60 Mol:25
-128: [08:07:55] Rep: 60 Mol:29
-128: [08:07:55] Rep: 60 Mol:0
-128: [08:07:55] Rep: 60 Mol:4
-128: [08:07:55] Rep: 60 Mol:8
-128: [08:07:55] Rep: 60 Mol:12
-128: [08:07:55] Rep: 60 Mol:16
-128: [08:07:55] Rep: 60 Mol:20
-128: [08:07:55] Rep: 60 Mol:24
-128: [08:07:55] Rep: 60 Mol:28
-128: [08:07:55] Rep: 80 Mol:1
-128: [08:07:55] Rep: 80 Mol:5
-128: [08:07:55] Rep: 80 Mol:9
-128: [08:07:55] Rep: 80 Mol:13
-128: [08:07:55] Rep: 80 Mol:17
-128: [08:07:55] Rep: 80 Mol:21
-128: [08:07:55] Rep: 80 Mol:25
-128: [08:07:55] Rep: 80 Mol:29
-128: [08:07:55] Rep: 60 Mol:2
-128: [08:07:55] Rep: 60 Mol:6
-128: [08:07:55] Rep: 60 Mol:10
-128: [08:07:55] Rep: 60 Mol:14
-128: [08:07:55] Rep: 60 Mol:18
-128: [08:07:55] Rep: 60 Mol:22
-128: [08:07:55] Rep: 60 Mol:26
-128: [08:07:55] Rep: 60 Mol:30
-130: [08:07:55] Rep: 100 Mol:3
-130: [08:07:55] Rep: 100 Mol:7
-130: [08:07:55] Rep: 100 Mol:11
-130: [08:07:55] Rep: 100 Mol:15
-130: [08:07:55] Rep: 100 Mol:19
-130: [08:07:55] Rep: 100 Mol:23
-130: [08:07:55] Rep: 100 Mol:27
-130: [08:07:55] Rep: 100 Mol:31
-128: [08:07:55] Rep: 80 Mol:0
-128: [08:07:55] Rep: 80 Mol:4
-128: [08:07:55] Rep: 80 Mol:8
-128: [08:07:55] Rep: 80 Mol:12
-128: [08:07:55] Rep: 80 Mol:16
-128: [08:07:55] Rep: 80 Mol:20
-128: [08:07:55] Rep: 80 Mol:24
-128: [08:07:55] Rep: 80 Mol:28
-130: [08:07:56] Rep: 100 Mol:1
-130: [08:07:56] Rep: 100 Mol:5
-130: [08:07:56] Rep: 100 Mol:9
-130: [08:07:56] Rep: 100 Mol:13
-130: [08:07:56] Rep: 100 Mol:17
-130: [08:07:56] Rep: 100 Mol:21
-130: [08:07:56] Rep: 100 Mol:25
-130: [08:07:56] Rep: 100 Mol:29
-128: [08:07:56] Rep: 80 Mol:2
-128: [08:07:56] Rep: 80 Mol:6
-128: [08:07:56] Rep: 80 Mol:10
-128: [08:07:56] Rep: 80 Mol:14
-128: [08:07:56] Rep: 80 Mol:18
-128: [08:07:56] Rep: 80 Mol:22
-128: [08:07:56] Rep: 80 Mol:26
-128: [08:07:56] Rep: 80 Mol:30
-130: [08:07:56] Rep: 100 Mol:0
-130: [08:07:56] Rep: 100 Mol:4
-130: [08:07:56] Rep: 100 Mol:8
-130: [08:07:56] Rep: 100 Mol:12
-130: [08:07:56] Rep: 100 Mol:16
-130: [08:07:56] Rep: 100 Mol:20
-130: [08:07:56] Rep: 100 Mol:24
-130: [08:07:56] Rep: 100 Mol:28
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-130: [08:07:56] Rep: 100 Mol:2
-130: [08:07:56] Rep: 100 Mol:6
-130: [08:07:56] Rep: 100 Mol:10
-130: [08:07:56] Rep: 100 Mol:14
-130: [08:07:56] Rep: 100 Mol:18
-130: [08:07:56] Rep: 100 Mol:22
-130: [08:07:56] Rep: 100 Mol:26
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-130: [08:07:56] Rep: 100 Mol:30
-128: [08:07:56]   done
-128: [08:07:56] -------------------------------------
-128: [08:07:56]     Test MMFF multithreading2
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-134: [08:07:56] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-135: .[08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: ..[08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-84: 0,0 0
-84: 0,1 0
-84: 1,0 0
-84: 1,1 0
-84: 2,0 0
-84: 2,1 0
-133: building molecules
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-133: generating reference data
-124/223 Test  #84: testEnumeration ........................   Passed    5.74 sec
+128: [04:48:34] Rep: 80 Mol:2
+128: [04:48:34] Rep: 80 Mol:6
+128: [04:48:34] Rep: 80 Mol:10
+128: [04:48:34] Rep: 80 Mol:14
+128: [04:48:34] Rep: 80 Mol:18
+128: [04:48:34] Rep: 80 Mol:22
+128: [04:48:34] Rep: 80 Mol:26
+128: [04:48:34] Rep: 80 Mol:30
+106: =>start test GETAWAY custom
+106: [04:48:34] test on : 365 molecules done
+124/223 Test #106: testRDFcustom ..........................   Passed    5.30 sec
 test 136
         Start 136: testMolAlign
 
 136: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
 136: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
 136: Test timeout computed to be: 1500
-135: ..[08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: .[08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [04:48:34] Rep: 100 Mol:2
+130: [04:48:34] Rep: 100 Mol:6
+130: [04:48:34] Rep: 100 Mol:10
+130: [04:48:34] Rep: 100 Mol:14
+130: [04:48:34] Rep: 100 Mol:18
+130: [04:48:34] Rep: 100 Mol:22
+130: [04:48:34] Rep: 100 Mol:26
+130: [04:48:34] Rep: 100 Mol:30
+128: [04:48:34] Rep: 80 Mol:0
+128: [04:48:34] Rep: 80 Mol:4
+128: [04:48:34] Rep: 80 Mol:8
+128: [04:48:34] Rep: 80 Mol:12
+128: [04:48:34] Rep: 80 Mol:16
+128: [04:48:34] Rep: 80 Mol:20
+128: [04:48:34] Rep: 80 Mol:24
+128: [04:48:34] Rep: 80 Mol:28
 136: ***********************************************************
 136: Testing MolAlign
 136: 	---------------------------------
@@ -20913,68 +20865,191 @@
 136: 	 testIssue241 
 136: 
 136: ***********************************************************
-125/223 Test #136: testMolAlign ...........................   Passed    0.17 sec
+125/223 Test #136: testMolAlign ...........................   Passed    0.25 sec
 test 137
         Start 137: testO3AAlign
 
 137: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
 137: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
 137: Test timeout computed to be: 1500
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-128: [08:07:56]   done
-128: [08:07:56] -------------------------------------
-128: [08:07:56]     Test MMFF multithreading3
-135: .[08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:07:56] Molecule does not have explicit Hs. Consider calling AddHs()
-130: [08:07:56]   done
-130: [08:07:56] -------------------------------------
-130: [08:07:56]     Test UFF multithreading2
-135: [08:07:57] Molecule does not have explicit Hs. Consider calling AddHs()
-128: [08:07:57]   done
-128: [08:07:57] -------------------------------------
-128: [08:07:57]     Testing github 162: Incorrect SMILES after MMFF parameterization .
-128: [08:07:57]   done
-128: [08:07:57] -------------------------------------
-128: [08:07:57]     Testing github 224: crash during MMFF parameterization .
-128: [08:07:57]   done
-128: [08:07:57] -------------------------------------
-128: [08:07:57]     Testing github6728: crash due to missing stretch-bend params.
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
-126/223 Test #128: testMMFFForceFieldHelpers ..............   Passed    2.57 sec
+128: [04:48:34]   done
+128: [04:48:34] -------------------------------------
+128: [04:48:34]     Test MMFF multithreading2
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+135: .[04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: ..[04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: ..[04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: .[04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [04:48:35]   done
+130: [04:48:35] -------------------------------------
+130: [04:48:35]     Test UFF multithreading2
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+128: [04:48:35]   done
+128: [04:48:35] -------------------------------------
+128: [04:48:35]     Test MMFF multithreading3
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+134: [04:48:35] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:48:35] Molecule does not have explicit Hs. Consider calling AddHs()
+135: .[04:48:36] Molecule does not have explicit Hs. Consider calling AddHs()
+26: All 191 tests passed
+130: [04:48:36]   done
+130: [04:48:36] -------------------------------------
+130: [04:48:36]     Test UFF multithreading3
+26: 
+26: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
+135: [04:48:36] Molecule does not have explicit Hs. Consider calling AddHs()
+128: [04:48:36]   done
+128: [04:48:36] -------------------------------------
+128: [04:48:36]     Testing github 162: Incorrect SMILES after MMFF parameterization .
+128: [04:48:36]   done
+128: [04:48:36] -------------------------------------
+128: [04:48:36]     Testing github 224: crash during MMFF parameterization .
+128: [04:48:36]   done
+128: [04:48:36] -------------------------------------
+128: [04:48:36]     Testing github6728: crash due to missing stretch-bend params.
+126/223 Test #128: testMMFFForceFieldHelpers ..............   Passed    3.90 sec
 test 138
         Start 138: molAlignCatchTest
 
 138: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
 138: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign
 138: Test timeout computed to be: 1500
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test unfolded version of RDKFP   
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Test bitinfo of RDKFP   
+135: [04:48:36] Molecule does not have explicit Hs. Consider calling AddHs()
+138: Randomness seeded to: 3871851897
+138: 170567759
+138: 141515836
+135: [04:48:36] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [04:48:36]   done
+130: [04:48:36] -------------------------------------
+130: [04:48:36]     Testing GitHubIssue62.
+130: [04:48:36] beta-lactam 39.6387
+130: [04:48:36] cyclopropanone 174.698
+130: [04:48:36] aziridine 337.986
+130: [04:48:36] aziridinone 115.248
+130: [04:48:36] isobutene 2.48217
+130: [04:48:36] acetone 1.91788
+130: [04:48:36] cyclopentanone 10.1648
+130: [04:48:36] cyclopropene 99.4921
+130: [04:48:36] cyclobutene 41.0156
+130: [04:48:36] cyclopropane 267.236
+130: [04:48:36] gamma-lactam 15.7471
+130: [04:48:36] trans-2,3-diphenylcyclopropan-1-one 203.398
+130: [04:48:36] cis-2,3-diphenylcyclopropan-1-one 206.852
+133: building molecules
+130: [04:48:36] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
+130: [04:48:36] cyclopropylidencyclobutane 218.879
+133: generating reference data
+130: [04:48:37] diphenylmethylidencyclobutane 79.6139
+130: [04:48:37]   done
+130: [04:48:37] -------------------------------------
+130: [04:48:37]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
+130: [04:48:37]   done
+130: [04:48:37] -------------------------------------
+130: [04:48:37]     Test square planar complexes
+130: [04:48:37]   done
+130: [04:48:37] -------------------------------------
+130: [04:48:37]     Test octahedral complexes
+130: [04:48:37]   done
+127/223 Test #130: testUFFForceFieldHelpers ...............   Passed    4.25 sec
+test 139
+        Start 139: pyMolAlign
+
+139: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
+139: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap
+139: Test timeout computed to be: 1500
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test unfolded version of RDKFP   
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Test bitinfo of RDKFP   
 117:    562:  [ 2 ], 
 117:    709:  [ 0 1 ], 
 117:    1118:  [ 0 1 2 ], 
@@ -20986,119 +21061,86 @@
 117:    1772:  [ 0 ],  [ 1 ], 
 117:    1813:  [ 0 1 ], 
 117:   ------------ 
-117: [08:07:57] -------------------------------------
-117: [08:07:57]     Single atoms setting radius 1 bits in Morgan fingerprints  
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #879: Pattern fingerprint should set bits for single-atom fragments.
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #2115: BitInfo not complete for RDKFingerprint
-117: [08:07:57]   done
-117: [08:07:57] -------------------------------------
-117: [08:07:57] Github #3723: Fingerprint crash for mols with Zero order bonds
-117: [08:07:57]   done
-127/223 Test #117: testFingerprints .......................   Passed    3.70 sec
-test 139
-        Start 139: pyMolAlign
-
-139: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
-139: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap
-139: Test timeout computed to be: 1500
-135: [08:07:57] Molecule does not have explicit Hs. Consider calling AddHs()
-138: Randomness seeded to: 1495682017
-138: 75059400
-64: [08:07:57] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-64: [08:07:57] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-130: [08:07:57]   done
-130: [08:07:57] -------------------------------------
-130: [08:07:57]     Test UFF multithreading3
-64: ----------------------------------
-64: ----------------------------------
-64: [08:07:57] 
-64: 
-64: ****
-64: Pre-condition Violation
-64: rlabel out of range for MDL files
-64: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
-64: Failed Expression: rlabel >= 0 && rlabel < 100
-64: ****
-64: 
-64: [08:07:57] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-135: [08:07:57] Molecule does not have explicit Hs. Consider calling AddHs()
-138: 68636640
-64: [08:07:57] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-64: [08:07:57] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-135: [08:07:57] Molecule does not have explicit Hs. Consider calling AddHs()
-64: [08:07:57] Empty atom list: 'M  ALS   1  0 F' on line 8.
-128/223 Test  #64: fileParsersTest1 .......................   Passed    8.13 sec
+117: [04:48:37] -------------------------------------
+117: [04:48:37]     Single atoms setting radius 1 bits in Morgan fingerprints  
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #879: Pattern fingerprint should set bits for single-atom fragments.
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #2115: BitInfo not complete for RDKFingerprint
+117: [04:48:37]   done
+117: [04:48:37] -------------------------------------
+117: [04:48:37] Github #3723: Fingerprint crash for mols with Zero order bonds
+117: [04:48:37]   done
+128/223 Test #117: testFingerprints .......................   Passed    6.20 sec
 test 140
         Start 140: testFeatures
 
 140: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 140: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures
 140: Test timeout computed to be: 1500
-140: [08:07:57] -------------------------------------
-140: [08:07:57] AtomType parser testing.
-140: [08:07:57] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
-140: [08:07:57] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] FeatureDefinition parser testing.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Test pulling feat defs from a string.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] FeatureDef functionality testing.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] FeatureFactory testing.
-140: [08:07:57] 1
-140: [08:07:57] 2
-140: [08:07:57] 3
-140: [08:07:57] 4
-140: [08:07:57] 5
-140: [08:07:57] 6
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Feature Location testing.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Test building a FeatureFactory from a file
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing Issue 224.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing Issue 225.
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Test Issue346
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Test Issue347
-140: [08:07:57]   done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing Issue 348.
-140: [08:07:57] SMARTS Parse Error: syntax error while parsing: [C[C]
-140: [08:07:57] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing Nested AtomType definitions.
+140: [04:48:37] -------------------------------------
+140: [04:48:37] AtomType parser testing.
+140: [04:48:37] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
+140: [04:48:37] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] FeatureDefinition parser testing.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Test pulling feat defs from a string.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] FeatureDef functionality testing.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] FeatureFactory testing.
+140: [04:48:37] 1
+140: [04:48:37] 2
+140: [04:48:37] 3
+140: [04:48:37] 4
+140: [04:48:37] 5
+140: [04:48:37] 6
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Feature Location testing.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Test building a FeatureFactory from a file
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing Issue 224.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing Issue 225.
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Test Issue346
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Test Issue347
+140: [04:48:37]   done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing Issue 348.
+140: [04:48:37] SMARTS Parse Error: syntax error while parsing: [C[C]
+140: [04:48:37] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing Nested AtomType definitions.
 140: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing Github Issue #252: crash when calling getPos() with no conformer.
-140: [08:07:57]      expect a precondition failure message below
-140: [08:07:57] 
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing Github Issue #252: crash when calling getPos() with no conformer.
+140: [04:48:37]      expect a precondition failure message below
+140: [04:48:37] 
 140: 
 140: ****
 140: Pre-condition Violation
@@ -21107,47 +21149,37 @@
 140: Failed Expression: dp_mol->getNumConformers()
 140: ****
 140: 
-140: [08:07:57]    Done
-140: [08:07:57] -------------------------------------
-140: [08:07:57] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
-140: [08:07:57]   done
-129/223 Test #140: testFeatures ...........................   Passed    0.03 sec
+140: [04:48:37]    Done
+140: [04:48:37] -------------------------------------
+140: [04:48:37] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
+140: [04:48:37]   done
+129/223 Test #140: testFeatures ...........................   Passed    0.04 sec
 test 141
         Start 141: pyChemicalFeatures
 
 141: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
 141: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
 141: Test timeout computed to be: 1500
-130: [08:07:57]   done
-130: [08:07:57] -------------------------------------
-130: [08:07:57]     Testing GitHubIssue62.
-130: [08:07:57] beta-lactam 39.6387
-130: [08:07:57] cyclopropanone 174.698
-130: [08:07:57] aziridine 337.986
-130: [08:07:57] aziridinone 115.248
-130: [08:07:57] isobutene 2.48217
-130: [08:07:57] acetone 1.91788
-130: [08:07:57] cyclopentanone 10.1648
-130: [08:07:57] cyclopropene 99.4921
-130: [08:07:57] cyclobutene 41.0156
-130: [08:07:57] cyclopropane 267.236
-130: [08:07:57] gamma-lactam 15.7471
-130: [08:07:57] trans-2,3-diphenylcyclopropan-1-one 203.398
-130: [08:07:57] cis-2,3-diphenylcyclopropan-1-one 206.852
-130: [08:07:57] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
-130: [08:07:57] cyclopropylidencyclobutane 218.879
-130: [08:07:57] diphenylmethylidencyclobutane 79.6139
-130: [08:07:57]   done
-130: [08:07:57] -------------------------------------
-130: [08:07:57]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
-130: [08:07:57]   done
-130: [08:07:57] -------------------------------------
-130: [08:07:57]     Test square planar complexes
-130: [08:07:57]   done
-130: [08:07:57] -------------------------------------
-130: [08:07:57]     Test octahedral complexes
-130: [08:07:57]   done
-130/223 Test #130: testUFFForceFieldHelpers ...............   Passed    3.11 sec
+135: [04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+64: [04:48:37] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+64: [04:48:37] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+64: ----------------------------------
+64: ----------------------------------
+64: [04:48:37] 
+64: 
+64: ****
+64: Pre-condition Violation
+64: rlabel out of range for MDL files
+64: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp
+64: Failed Expression: rlabel >= 0 && rlabel < 100
+64: ****
+64: 
+64: [04:48:37] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+135: [04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+64: [04:48:37] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+64: [04:48:37] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+64: [04:48:37] Empty atom list: 'M  ALS   1  0 F' on line 8.
+130/223 Test  #64: fileParsersTest1 .......................   Passed   12.57 sec
 test 142
         Start 142: testShapeHelpers
 
@@ -21166,55 +21198,45 @@
 142: 	 testGithub4364 
 142: 
 142: ***********************************************************
-131/223 Test #142: testShapeHelpers .......................   Passed    0.06 sec
+131/223 Test #142: testShapeHelpers .......................   Passed    0.05 sec
 test 143
         Start 143: pyShapeHelpers
 
 143: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
 143: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
 143: Test timeout computed to be: 1500
-141: .[08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-141: .[08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-141: ..[08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-141: .[08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-141: .[08:07:58] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
-141: [08:07:58] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
+141: .[04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+141: .[04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+141: ..[04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+141: .[04:48:37] Molecule does not have explicit Hs. Consider calling AddHs()
+141: .[04:48:37] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
+141: [04:48:37] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
 141: ...
 141: ----------------------------------------------------------------------
-141: Ran 9 tests in 0.066s
+141: Ran 9 tests in 0.095s
 141: 
 141: OK
-133: validating reference data
-132/223 Test #141: pyChemicalFeatures .....................   Passed    0.41 sec
+132/223 Test #141: pyChemicalFeatures .....................   Passed    0.67 sec
 test 144
         Start 144: testMolCatalog
 
 144: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
 144: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog
 144: Test timeout computed to be: 1500
-133/223 Test #144: testMolCatalog .........................   Passed    0.05 sec
+133/223 Test #144: testMolCatalog .........................   Passed    0.03 sec
 test 145
         Start 145: pyMolCatalog
 
 145: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
 145: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
 145: Test timeout computed to be: 1500
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-138: 944023240
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-143: .
-143: ----------------------------------------------------------------------
-143: Ran 1 test in 0.026s
-143: 
-143: OK
-143: Testing Shape Helpers wrapper
-145: .
-145: ----------------------------------------------------------------------
-145: Ran 1 test in 0.018s
-145: 
-145: OK
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-134/223 Test #143: pyShapeHelpers .........................   Passed    0.55 sec
+84: 0,0 0
+84: 0,1 0
+84: 1,0 0
+84: 1,1 0
+84: 2,0 0
+84: 2,1 0
+134/223 Test  #84: testEnumeration ........................   Passed   11.62 sec
 test 146
         Start 146: moldraw2DTest1
 
@@ -21222,22 +21244,20 @@
 146: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
 146: Test timeout computed to be: 1500
 146:  ----------------- Test 1
+143: .
+143: ----------------------------------------------------------------------
+143: Ran 1 test in 0.055s
+143: 
+143: OK
+143: Testing Shape Helpers wrapper
 146: file test1_6.svg gave hash 1109656969U not the expected 2635907956U
 146:  Done
 146:  ----------------- Test 2
-135/223 Test #145: pyMolCatalog ...........................   Passed    0.35 sec
-test 147
-        Start 147: moldraw2DTestCatch
-
-147: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-147: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
-147: Test timeout computed to be: 1500
 146: file test2_1.png gave hash 3662870653U not the expected 307437906U
 146: file test2_2.png gave hash 3839236620U not the expected 610424244U
 146: file test2_3.png gave hash 2294574389U not the expected 2179746375U
 146:  Done
 146:  ----------------- Test 4
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
 146: file test4_1.png gave hash 1974149556U not the expected 1403972924U
 146:  Done
 146:  ----------------- Test 5
@@ -21248,6 +21268,13 @@
 146:  ----------------- Test 6 (atom labels)
 146:  Done
 146:  ----------------- Test 7 (backgrounds)
+135/223 Test #143: pyShapeHelpers .........................   Passed    0.61 sec
+test 147
+        Start 147: moldraw2DTestCatch
+
+147: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+147: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
+147: Test timeout computed to be: 1500
 146: file test7_1.png gave hash 4080154814U not the expected 3033050306U
 146: file test7_2.png gave hash 366251741U not the expected 3476380724U
 146:  Done
@@ -21255,10 +21282,15 @@
 146:  Done
 146:  ----------------- Test multi-threaded drawing
 146: reading molecules
-147: Randomness seeded to: 1086520505
-147: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U
 146: generating reference drawings
+147: Randomness seeded to: 2370749732
+147: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U
 147: file contourMol_2.svg gave hash 2850811663U not the expected 572669511U
+146: processing
+146:  launch :0
+146:  launch :1
+146:  launch :2
+146:  launch :3
 147: file contourMol_3.svg gave hash 1894450507U not the expected 936771429U
 147: file contourMol_4.svg gave hash 4223940354U not the expected 3302971362U
 147: file contourMol_5.svg gave hash 1093404576U not the expected 2230414999U
@@ -21266,76 +21298,57 @@
 147: file testGithub3226_2.png gave hash 4249073986U not the expected 606206725U
 147: file testGithub3226_3.png gave hash 1401608198U not the expected 2282880418U
 147: file testPNGMetadata_1.png gave hash 2404275697U not the expected 2423299691U
-146: processing
-146:  launch :0
-146:  launch :1
-146:  launch :2
-146:  launch :3
+145: .
+145: ----------------------------------------------------------------------
+145: Ran 1 test in 0.014s
+145: 
+145: OK
 147: file testPNGMetadata_2.png gave hash 2335719695U not the expected 2803353117U
-138: 384447080
-138: ===============================================================================
-138: All tests passed (73 assertions in 3 test cases)
-138: 
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
-136/223 Test #138: molAlignCatchTest ......................   Passed    1.58 sec
+147: file testGithub3369_1.svg gave hash 1012801087U not the expected 3091976328U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+138: 1815660729
+147: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-1.png gave hash 3017698331U not the expected 698316547U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-2.svg gave hash 1182231268U not the expected 4132716144U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+136/223 Test #145: pyMolCatalog ...........................   Passed    0.84 sec
 test 148
         Start 148: moldraw2DRxnTest1
 
 148: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
 148: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D
 148: Test timeout computed to be: 1500
-26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-147: file testGithub3369_1.svg gave hash 1012801087U not the expected 3091976328U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-2.png gave hash 1476321984U not the expected 1605553248U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-3.svg gave hash 633044862U not the expected 4199337510U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-3.png gave hash 3459141761U not the expected 2881952238U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-4.svg gave hash 2180320567U not the expected 4197407865U
+147: [04:48:38] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:38] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-4.png gave hash 751103982U not the expected 3431655453U
 148:  ----------------- Test 1
-147: file testHandDrawn-1.png gave hash 3017698331U not the expected 698316547U
 148: file rxn_test1_1.png gave hash 3931149906U not the expected 1556334749U
 148: file rxn_test1_2.png gave hash 665316462U not the expected 1924084263U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-2.svg gave hash 1182231268U not the expected 4132716144U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 148: file rxn_test1_3.png gave hash 583399715U not the expected 1644921059U
-135: [08:07:58] Molecule does not have explicit Hs. Consider calling AddHs()
 148: file rxn_test1_4.png gave hash 3197024324U not the expected 2471435686U
-147: file testHandDrawn-2.png gave hash 1476321984U not the expected 1605553248U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-3.svg gave hash 633044862U not the expected 4199337510U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 148: file rxn_test1_5.png gave hash 3779444276U not the expected 1428782307U
-26: All 191 tests passed
-26:   done
-26: -------------------------------------
-26: Unit tests for all MMFF constraint terms.
-147: file testHandDrawn-3.png gave hash 3459141761U not the expected 2881952238U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-4.svg gave hash 2180320567U not the expected 4197407865U
-147: [08:07:58] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:58] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
 148: file rxn_test1_6.png gave hash 4083260446U not the expected 483353696U
-147: file testHandDrawn-4.png gave hash 751103982U not the expected 3431655453U
-26: 10.0003
+135: [04:48:38] Molecule does not have explicit Hs. Consider calling AddHs()
 148: file rxn_test1_7.png gave hash 3485241449U not the expected 528963379U
 148:  Done
 148:  ----------------- Test 2: some examples that caused problems in testing
-26:   done
-26: -------------------------------------
-26: Unit test for MMFF TorsionConstraint close to 0 degrees.
-26:   done
-26: -------------------------------------
-26: Unit tests for copying MMFF ForceFields.
 148: file rxn_test2_1.png gave hash 4000022879U not the expected 399415052U
-26:   done
-26: -------------------------------------
-26: Unit test for MMFF butane scan.
 148: 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
 148: file rxn_test2_2_1.png gave hash 1840548677U not the expected 1215378243U
 148: 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
@@ -21356,24 +21369,64 @@
 148: file rxn_test4_1.png gave hash 2172852570U not the expected 4187207676U
 148: file rxn_test4_1.svg gave hash 2304233907U not the expected 3239755313U
 148:  done
+135: [04:48:39] Molecule does not have explicit Hs. Consider calling AddHs()
 148: file rxn_test4_2.png gave hash 3573150360U not the expected 3490081297U
 148: file rxn_test4_2.svg gave hash 4061413684U not the expected 4127054729U
 148:  Done
-26:   done
-137/223 Test #148: moldraw2DRxnTest1 ......................   Passed    0.32 sec
+137/223 Test #148: moldraw2DRxnTest1 ......................   Passed    0.52 sec
 test 149
         Start 149: pyMolDraw2D
 
 149: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
 149: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
 149: Test timeout computed to be: 1500
-138/223 Test  #26: testMMFFForceField .....................   Passed   10.35 sec
+138: 601513382
+138: ===============================================================================
+138: All tests passed (73 assertions in 3 test cases)
+138: 
+138/223 Test #138: molAlignCatchTest ......................   Passed    2.99 sec
 test 150
         Start 150: testFMCS
 
 150: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/testFMCS
 150: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS
 150: Test timeout computed to be: 1500
+135: [04:48:39] Molecule does not have explicit Hs. Consider calling AddHs()
+147: file testHandDrawn-5a.svg gave hash 2478133241U not the expected 3628607349U
+147: [04:48:39] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:39] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-5b.svg gave hash 2108082312U not the expected 2522138089U
+147: [04:48:39] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
+147: [04:48:39] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+147: file testHandDrawn-5.png gave hash 205144647U not the expected 3439548169U
+147: file testBrackets-5a.svg gave hash 4023768529U not the expected 3061667963U
+147: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
+147: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
+147: file testPositionVariation-1b.svg gave hash 823876785U not the expected 174339626U
+149: ...[04:48:39] Font file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
+149: [04:48:39] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
+149: ..........[04:48:39] 
+149: 
+149: ****
+149: Pre-condition Violation
+149: molecule must not be None
+149: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
+149: Failed Expression: m
+149: ****
+149: 
+147: [04:48:39] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U
+135: [04:48:39] Molecule does not have explicit Hs. Consider calling AddHs()
+147: file testGithub4238_1.png gave hash 697827931U not the expected 3410617836U
+147: file testGithub4323_1.png gave hash 1827938735U not the expected 3723958844U
+133: validating reference data
+149: .....................
+149: ----------------------------------------------------------------------
+149: Ran 34 tests in 0.261s
+149: 
+149: OK
+149: json lasso
+147: file testGithub4323_3.png gave hash 119218767U not the expected 2185913679U
+147: [04:48:40] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
 137: ***********************************************************
 137: Testing O3AAlign
 137: 	---------------------------------
@@ -21404,57 +21457,15 @@
 137: 	 testMMFFO3A multithreading
 137: 
 137: generating reference data
-135: .[08:07:59] Molecule does not have explicit Hs. Consider calling AddHs()
-149: ...[08:07:59] Font file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
-149: [08:07:59] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-149: ..........[08:07:59] 
-149: 
-149: ****
-149: Pre-condition Violation
-149: molecule must not be None
-149: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-149: Failed Expression: m
-149: ****
-149: 
-147: file testHandDrawn-5a.svg gave hash 2478133241U not the expected 3628607349U
-147: [08:07:59] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:59] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-5b.svg gave hash 2108082312U not the expected 2522138089U
-147: [08:07:59] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found.
-147: [08:07:59] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf.
-147: file testHandDrawn-5.png gave hash 205144647U not the expected 3439548169U
-147: file testBrackets-5a.svg gave hash 4023768529U not the expected 3061667963U
-147: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
-147: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U
-147: file testPositionVariation-1b.svg gave hash 823876785U not the expected 174339626U
-133: processing
-133:  launch :0
-133:  launch :1
-133:  launch :2
-133:  launch :3
-149: .....................
-149: ----------------------------------------------------------------------
-149: Ran 34 tests in 0.250s
-149: 
-149: OK
-149: json lasso
-147: [08:07:59] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U
-147: file testGithub4238_1.png gave hash 697827931U not the expected 3410617836U
-147: file testGithub4323_1.png gave hash 1827938735U not the expected 3723958844U
-137: processing
-137:  launch :0
-137:  launch :1
-137:  launch :2
-137:  launch :3
-139/223 Test #149: pyMolDraw2D ............................   Passed    0.83 sec
+139/223 Test #149: pyMolDraw2D ............................   Passed    0.94 sec
 test 151
         Start 151: pyFMCS
 
 151: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/testFMCS.py"
 151: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap
 151: Test timeout computed to be: 1500
-147: file testGithub4323_3.png gave hash 119218767U not the expected 2185913679U
-147: [08:08:00] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+135: [04:48:40] Molecule does not have explicit Hs. Consider calling AddHs()
+26: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
 147: file testFlexiCanvas.2a.png gave hash 4234574492U not the expected 3217758043U
 147: file testFlexiCanvas.2b.png gave hash 615048826U not the expected 4070063910U
 147: file testFlexiCanvas.3.svg gave hash 3867616289U not the expected 2819587550U
@@ -21473,10 +21484,24 @@
 147: file acs1996_3.svg gave hash 510450189U not the expected 879041204U
 147: file acs1996_8.svg gave hash 10362698U not the expected 2477908768U
 147: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U
-147: [08:08:00] 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.
+147: [04:48:40] 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.
 147: file bond_highlights_8.svg gave hash 1272407071U not the expected 2956924065U
+26: All 191 tests passed
+26:   done
+26: -------------------------------------
+26: Unit tests for all MMFF constraint terms.
 147: file test_github5947.svg gave hash 4282730978U not the expected 337972125U
+26: 10.0003
+26:   done
+26: -------------------------------------
+26: Unit test for MMFF TorsionConstraint close to 0 degrees.
+26:   done
+26: -------------------------------------
+26: Unit tests for copying MMFF ForceFields.
 147: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U
+26:   done
+26: -------------------------------------
+26: Unit test for MMFF butane scan.
 147: file github6336_1.png gave hash 1930712448U not the expected 2958833204U
 147: file github6504_1.svg gave hash 3649936662U not the expected 1429448598U
 147: file github6504_2.svg gave hash 106020287U not the expected 2871662880U
@@ -21485,7 +21510,7 @@
 147: ===============================================================================
 147: All tests passed (6525 assertions in 94 test cases)
 147: 
-140/223 Test #147: moldraw2DTestCatch .....................   Passed    1.99 sec
+140/223 Test #147: moldraw2DTestCatch .....................   Passed    2.46 sec
 test 152
         Start 152: FMCStest
 
@@ -23457,234 +23482,27 @@
 152: 
 152: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
 152: ERROR: RDKit could not load input file
-141/223 Test #152: FMCStest ...............................   Passed    0.07 sec
+26:   done
+135: [04:48:40] Molecule does not have explicit Hs. Consider calling AddHs()
+141/223 Test  #26: testMMFFForceField .....................   Passed   17.27 sec
+142/223 Test #152: FMCStest ...............................   Passed    0.09 sec
 test 153
         Start 153: molHashCatchTest
 
 153: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
 153: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash
 153: Test timeout computed to be: 1500
-153: Randomness seeded to: 1227720048
-153: ===============================================================================
-153: All tests passed (304 assertions in 9 test cases)
-153: 
-142/223 Test #153: molHashCatchTest .......................   Passed    0.08 sec
 test 154
         Start 154: pyMolHash
 
 154: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/testMolHash.py"
 154: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap
 154: Test timeout computed to be: 1500
-150: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150:  test32()
-150: 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
-150: Time elapsed 0.072 seconds
-150: 
-150:  test190()
-150: 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
-150: Time elapsed 0.009 seconds
-150: 
-150:  test3()
-150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
-150: Time elapsed 0.016 seconds
-150: 
-150: testSimpleFast()
-150: 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
-150: Time elapsed 0.120 seconds
-150: 
-150: testSimple()
-150: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-150: Time elapsed 0.110 seconds
-150: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-150: Time elapsed 0.129 seconds
-150: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-150: Time elapsed 0.141 seconds
-150: 
-150: testSegFault()
-150: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-150: Time elapsed 0.013 seconds
-150: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-150: Time elapsed 0.011 seconds
-150: 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
-150: Time elapsed 0.015 seconds
-150: 
-150: testThreshold()
-150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150: testRing1()
-150: 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
-150: Time elapsed 0.395 seconds
-150: 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
-150: Time elapsed 0.399 seconds
-150: 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
-150: Time elapsed 0.451 seconds
-150: 
-150: testAtomCompareIsotopes()
-150: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150: testAtomCompareAnyAtom()
-150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150: testAtomCompareAnyAtom()
-150: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150: testAtomCompareAnyAtom()
-150: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
-150: Time elapsed 0.008 seconds
-150: 
-150: testAtomCompareAnyAtom()
-150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
-150: Time elapsed 0.000 seconds
-150: 
-150: testJnk1LigandsDistance()
-150: 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
-150: Time elapsed 0.009 seconds
-150: 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
-154: ...
-154: ----------------------------------------------------------------------
-154: Ran 3 tests in 0.011s
-154: 
-154: OK
-150: Time elapsed 0.001 seconds
-150: 
-150: test18()
-150: 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
-150: 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
-150: Time elapsed 0.008 seconds
-150: 
-150: test504()
-150: 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
-150: 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
-150: Time elapsed 0.110 seconds
-150: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-150: Time elapsed 0.001 seconds
-150: 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
-150: Time elapsed 0.043 seconds
-150: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
-150: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0009 seconds. bond[0]=6
-150: STATISTICS:
-150: Total Growing Steps  = 1, MCS found on 1 step, for 0.0009 seconds
-150: Initial   Seeds      = 1,  Mismatched 0
-150: Inspected Seeds      = 2
-150: Rejected by BestSize = 0
-150: IndividualBondExcluded   = 0
-150: MatchCheck Seeds     = 2
-150:      MatchCalls = 2
-150:      MatchFound = 1
-150:  fastMatchCalls = 1
-150:  fastMatchFound = 0
-150:  slowMatchCalls = 2
-150:  slowMatchFound = 1
-150:   DupCacheFound = 0   0 matched, 0 mismatched
-150: HashCache size  = 1 keys
-150: HashCache size  = 1 entries
-150: FindHashInCache = 2
-150: HashFoundInCache= 0
-150: ExactMatchCalls = 0
-150: ExactMatchFound = 0
-150: Time elapsed 0.001 seconds
-150: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
-150: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
-150: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
-150: res sub = 1 size=3
-150: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = C(F)C useChirality = 1
-150: res sub = 1 size=3
-150: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
-150: test target = CC[C@H](F)Cl query = CCC useChirality = 0
-150: res sub = 1 size=3
-150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = CC[C@H](F)Cl query = CCC useChirality = 1
-150: res sub = 1 size=3
-150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = CCC(F)Cl query = CC useChirality = 0
-150: res sub = 1 size=2
-150: MCS: [#6]-[#6] 2 atoms, 1 bonds
-150: test target = CCC(F)Cl query = CC useChirality = 1
-150: res sub = 1 size=2
-150: MCS: [#6]-[#6] 2 atoms, 1 bonds
-150: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1
-150: res sub = 1 size=4
-150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1
-150: res sub = 1 size=4
-150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0
-150: res sub = 0 size=0
-150: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1
-150: res sub = 0 size=0
-150: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1
-150: res sub = 0 size=0
-150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = OC(F)CCl query = OC(F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = OC(F)CCl query = OC(F)C useChirality = 1
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1
-150: res sub = 0 size=0
-150: MCS: [#9] 1 atoms, 0 bonds
-150: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
-150: res sub = 1 size=4
-150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-150: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
-150: res sub = 0 size=0
-150: MCS: [#9] 1 atoms, 0 bonds
-150: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0
-150: res sub = 1 size=3
-150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1
-150: res sub = 1 size=3
-150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0
-150: res sub = 1 size=3
-150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1
-150: res sub = 1 size=3
-150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-150: 
-150: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>>
-150: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0
-150: res sub = 1 size=3
-150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1
-150: res sub = 1 size=3
-150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: 	done
-143/223 Test #154: pyMolHash ..............................   Passed    0.53 sec
+153: Randomness seeded to: 720370166
+153: ===============================================================================
+153: All tests passed (304 assertions in 9 test cases)
+153: 
+143/223 Test #153: molHashCatchTest .......................   Passed    0.07 sec
 test 155
         Start 155: testMMPA
 
@@ -23693,7 +23511,7 @@
 155: Test timeout computed to be: 1500
 155: 
 155: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-155: Time elapsed 0.001825 seconds
+155: Time elapsed 0.001814 seconds
 155:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 155:  1: NOREF. Reference data NOT LISTED in test case.
 155:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -23734,7 +23552,7 @@
 155:  --- UNMATCHED Reference RESULTS: --- 
 155:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 155:  -----------------------------------
-155: Time elapsed 0.009780 seconds
+155: Time elapsed 0.001602 seconds
 155: 
 155: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
 155:    1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
@@ -23776,7 +23594,7 @@
 155:  -----------------------------------
 155: 
 155: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
-155: Time elapsed 0.001611 seconds
+155: Time elapsed 0.001603 seconds
 155:  1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 155:  1: PASSED. matchedRefRes = 4
 155:  2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
@@ -23816,7 +23634,7 @@
 155:  -----------------------------------
 155: 
 155: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
-155: Time elapsed 0.000470 seconds
+155: Time elapsed 0.000457 seconds
 155:  1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
 155:  1: PASSED. matchedRefRes = 2
 155:  2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
@@ -23838,7 +23656,7 @@
 155:  -----------------------------------
 155: 
 155: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-155: Time elapsed 0.009817 seconds
+155: Time elapsed 0.001790 seconds
 155:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 155:  1: NOREF. Reference data NOT LISTED in test case.
 155:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -23881,7 +23699,7 @@
 155:  -----------------------------------
 155: 
 155: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
-155: Time elapsed 0.010016 seconds
+155: Time elapsed 0.001811 seconds
 155:  1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
 155:  1: NOREF. Reference data NOT LISTED in test case.
 155:  2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
@@ -23922,51 +23740,278 @@
 155:  --- ALL PASSED --- 
 155:  -----------------------------------
 155: 5 TEST CASES FAILED 
-144/223 Test #155: testMMPA ...............................   Passed    0.18 sec
+144/223 Test #155: testMMPA ...............................   Passed    0.06 sec
 test 156
         Start 156: pyMMPA
 
 156: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap/testMMPA.py"
 156: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap
 156: Test timeout computed to be: 1500
-150: [08:08:02] The provided InitialSeed is not an MCS and will be ignored
-156: .........
-156: ----------------------------------------------------------------------
-156: Ran 9 tests in 2.183s
-156: 
-156: OK
-145/223 Test #156: pyMMPA .................................   Passed    2.84 sec
+154: ...
+154: ----------------------------------------------------------------------
+154: Ran 3 tests in 0.011s
+154: 
+154: OK
+145/223 Test #154: pyMolHash ..............................   Passed    0.50 sec
 test 157
         Start 157: testRascalMCES
 
 157: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
 157: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
 157: Test timeout computed to be: 1500
-135: ..[08:08:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-151: ........................................[08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: .[08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: .[08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: .[08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: [08:08:04] The provided InitialSeed is not an MCS and will be ignored
-151: .................
-151: ----------------------------------------------------------------------
-151: Ran 60 tests in 4.283s
-151: 
-151: OK
-146/223 Test #151: pyFMCS .................................   Passed    4.94 sec
+137: processing
+137:  launch :0
+137:  launch :1
+137:  launch :2
+137:  launch :3
+135: .[04:48:41] Molecule does not have explicit Hs. Consider calling AddHs()
+150: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
+150: Time elapsed 0.008 seconds
+150: 
+150:  test32()
+150: 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
+150: Time elapsed 0.116 seconds
+150: 
+150:  test190()
+150: 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
+150: Time elapsed 0.025 seconds
+150: 
+150:  test3()
+150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
+150: Time elapsed 0.024 seconds
+150: 
+150: testSimpleFast()
+150: 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
+150: Time elapsed 0.195 seconds
+150: 
+150: testSimple()
+150: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+150: Time elapsed 0.170 seconds
+150: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+150: Time elapsed 0.207 seconds
+150: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+150: Time elapsed 0.207 seconds
+150: 
+150: testSegFault()
+150: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+150: Time elapsed 0.013 seconds
+150: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+150: Time elapsed 0.023 seconds
+150: 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
+150: Time elapsed 0.019 seconds
+150: 
+150: testThreshold()
+150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testRing1()
+150: 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
+150: Time elapsed 0.575 seconds
+150: 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
+150: Time elapsed 0.585 seconds
+150: 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
+150: Time elapsed 0.651 seconds
+150: 
+150: testAtomCompareIsotopes()
+150: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testAtomCompareAnyAtom()
+150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testAtomCompareAnyAtom()
+150: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testAtomCompareAnyAtom()
+150: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testAtomCompareAnyAtom()
+150: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
+150: Time elapsed 0.000 seconds
+150: 
+150: testJnk1LigandsDistance()
+150: 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
+150: Time elapsed 0.013 seconds
+150: 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
+150: Time elapsed 0.013 seconds
+150: 
+150: test18()
+150: 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
+150: 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
+150: Time elapsed 0.012 seconds
+150: 
+150: test504()
+150: 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
+150: 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
+150: Time elapsed 0.162 seconds
+150: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
+150: Time elapsed 0.001 seconds
+150: 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
+150: Time elapsed 0.051 seconds
+150: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
+150: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0009 seconds. bond[0]=6
+150: STATISTICS:
+150: Total Growing Steps  = 1, MCS found on 1 step, for 0.0009 seconds
+150: Initial   Seeds      = 1,  Mismatched 0
+150: Inspected Seeds      = 2
+150: Rejected by BestSize = 0
+150: IndividualBondExcluded   = 0
+150: MatchCheck Seeds     = 2
+150:      MatchCalls = 2
+150:      MatchFound = 1
+150:  fastMatchCalls = 1
+150:  fastMatchFound = 0
+150:  slowMatchCalls = 2
+150:  slowMatchFound = 1
+150:   DupCacheFound = 0   0 matched, 0 mismatched
+150: HashCache size  = 1 keys
+150: HashCache size  = 1 entries
+150: FindHashInCache = 2
+150: HashFoundInCache= 0
+150: ExactMatchCalls = 0
+150: ExactMatchFound = 0
+150: Time elapsed 0.001 seconds
+150: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
+150: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
+150: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
+150: res sub = 1 size=3
+150: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = C(F)C useChirality = 1
+150: res sub = 1 size=3
+150: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
+150: test target = CC[C@H](F)Cl query = CCC useChirality = 0
+150: res sub = 1 size=3
+150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = CC[C@H](F)Cl query = CCC useChirality = 1
+150: res sub = 1 size=3
+150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = CCC(F)Cl query = CC useChirality = 0
+150: res sub = 1 size=2
+150: MCS: [#6]-[#6] 2 atoms, 1 bonds
+150: test target = CCC(F)Cl query = CC useChirality = 1
+150: res sub = 1 size=2
+150: MCS: [#6]-[#6] 2 atoms, 1 bonds
+150: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1
+150: res sub = 1 size=4
+150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1
+150: res sub = 1 size=4
+150: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0
+150: res sub = 0 size=0
+150: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1
+150: res sub = 0 size=0
+150: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1
+150: res sub = 0 size=0
+150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = OC(F)CCl query = OC(F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = OC(F)CCl query = OC(F)C useChirality = 1
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1
+150: res sub = 0 size=0
+150: MCS: [#9] 1 atoms, 0 bonds
+150: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
+150: res sub = 1 size=4
+150: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+150: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
+150: res sub = 0 size=0
+150: MCS: [#9] 1 atoms, 0 bonds
+150: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0
+150: res sub = 1 size=3
+150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1
+150: res sub = 1 size=3
+150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0
+150: res sub = 1 size=3
+150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1
+150: res sub = 1 size=3
+150: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+150: 
+150: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>>
+150: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0
+150: res sub = 1 size=3
+150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1
+150: res sub = 1 size=3
+150: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: 	done
+133: processing
+133:  launch :0
+133:  launch :1
+133:  launch :2
+133:  launch :3
+156: .........
+156: ----------------------------------------------------------------------
+156: Ran 9 tests in 1.811s
+156: 
+156: OK
+146/223 Test #156: pyMMPA .................................   Passed    2.52 sec
 test 158
         Start 158: testRascalCluster
 
 158: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
 158: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES
 158: Test timeout computed to be: 1500
+150: [04:48:44] The provided InitialSeed is not an MCS and will be ignored
+151: ........................................[04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: .[04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: .[04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: .[04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: [04:48:45] The provided InitialSeed is not an MCS and will be ignored
+151: .................
+151: ----------------------------------------------------------------------
+151: Ran 60 tests in 4.505s
+151: 
+151: OK
+147/223 Test #151: pyFMCS .................................   Passed    5.33 sec
+test 159
+        Start 159: pyMolDraw2D
+
+159: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
+159: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
+159: Test timeout computed to be: 1500
+135: ..[04:48:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 146:  Done
 146:  ----------------- Test Github #781: Rendering single-atom molecules
 146:  Done
@@ -23978,6 +24023,11 @@
 146: file test3_4.png gave hash 3140382753U not the expected 2265825690U
 146: file test3_4.svg gave hash 2680534430U not the expected 187720898U
 146: file test3_5.png gave hash 3099888250U not the expected 1911551403U
+159: ........
+159: ----------------------------------------------------------------------
+159: Ran 8 tests in 1.837s
+159: 
+159: OK
 146: file test3_5.svg gave hash 2157820698U not the expected 2015616393U
 146: file test3_6.png gave hash 2620932115U not the expected 577293879U
 146: file test3_7.png gave hash 807230453U not the expected 248355372U
@@ -23991,6 +24041,13 @@
 146:  Done
 146:  ----------------- Test Github852: Lines used to wedge bonds are too thick
 146: file test852_1.png gave hash 2345477955U not the expected 736085072U
+148/223 Test #159: pyMolDraw2D ............................   Passed    2.44 sec
+test 160
+        Start 160: testCIPLabeler
+
+160: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
+160: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler
+160: Test timeout computed to be: 1500
 146: file test852_2.png gave hash 2980031162U not the expected 1438089260U
 146: ----------------
 146: ----------------
@@ -23999,6 +24056,13 @@
 146:  Done
 146:  ----------------- Test Github860: Atom symbols in wrong order if bond comes from right
 146: file test860_1.png gave hash 988661147U not the expected 2065140854U
+160: Randomness seeded to: 1075593297
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
+160: [04:48:48] non kekulizable aromatic bond being treated as bond order 1
 146: file test860_2.png gave hash 1783539966U not the expected 3098360765U
 146: file test860_3.png gave hash 55970806U not the expected 3439618110U
 146:  Done
@@ -24019,8 +24083,18 @@
 146: file test10_6.svg gave hash 2996130233U not the expected 961103536U
 146:  Done
 146:  ----------------- Testing drawing a grid of molecules
+160: ===============================================================================
+160: All tests passed (5977 assertions in 13 test cases)
+160: 
 146:  Done
 146:  ----------------- Testing drawMolecules
+149/223 Test #160: testCIPLabeler .........................   Passed    0.20 sec
+test 161
+        Start 161: pyCIPLabelsWrapTest
+
+161: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
+161: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
+161: Test timeout computed to be: 1500
 146: file test12_1.svg gave hash 2982175789U not the expected 881731720U
 146:  Done
 146:  ----------------- Test JSON Configuration
@@ -24073,12 +24147,24 @@
 146:  Done
 146:  ----------------- Test Github 3305 - change and scale line widths.
 146: file testGithub3305_1.png gave hash 3566226990U not the expected 1801411420U
+161: ...
+161: ----------------------------------------------------------------------
+161: Ran 3 tests in 0.014s
+161: 
+161: OK
 146: file testGithub3305_2.png gave hash 3262469175U not the expected 2904846519U
 146: file testGithub3305_3.png gave hash 2042445738U not the expected 2915229647U
 146: file testGithub3305_4.png gave hash 3099888250U not the expected 1911551403U
 146: file testGithub3305_4.svg gave hash 2157820698U not the expected 2015616393U
 146: file testGithub3305_5.png gave hash 1702931839U not the expected 614319597U
 146: file testGithub3305_5.svg gave hash 911738919U not the expected 3435115096U
+150/223 Test #161: pyCIPLabelsWrapTest ....................   Passed    0.72 sec
+test 162
+        Start 162: pyCIPLabelsValidation
+
+162: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
+162: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
+162: Test timeout computed to be: 1500
 146: file testGithub3305_6.png gave hash 4041722001U not the expected 3926947401U
 146: file testGithub3305_7.png gave hash 1767819280U not the expected 1720405002U
 146: Done
@@ -24092,90 +24178,18 @@
 146:  Done
 146:  ----------------- Test AND queries
 146:  Done
-147/223 Test #146: moldraw2DTest1 .........................   Passed   10.94 sec
-test 159
-        Start 159: pyMolDraw2D
-
-159: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
-159: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
-159: Test timeout computed to be: 1500
-139: .............[08:08:09] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:10] Molecule does not have explicit Hs. Consider calling AddHs()
-159: ........
-159: ----------------------------------------------------------------------
-159: Ran 8 tests in 1.743s
-159: 
-159: OK
-148/223 Test #159: pyMolDraw2D ............................   Passed    2.58 sec
-test 160
-        Start 160: testCIPLabeler
-
-160: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
-160: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler
-160: Test timeout computed to be: 1500
-160: Randomness seeded to: 1825651555
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: [08:08:12] non kekulizable aromatic bond being treated as bond order 1
-160: ===============================================================================
-160: All tests passed (5977 assertions in 13 test cases)
-160: 
-149/223 Test #160: testCIPLabeler .........................   Passed    0.19 sec
-test 161
-        Start 161: pyCIPLabelsWrapTest
-
-161: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
-161: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
-161: Test timeout computed to be: 1500
-161: ...
-161: ----------------------------------------------------------------------
-161: Ran 3 tests in 0.011s
-161: 
-161: OK
-150/223 Test #161: pyCIPLabelsWrapTest ....................   Passed    0.62 sec
-test 162
-        Start 162: pyCIPLabelsValidation
-
-162: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
-162: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
-162: Test timeout computed to be: 1500
-158: Randomness seeded to: 838719809
-158: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
-139: ...[08:08:13] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:13] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:13] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:13] Molecule does not have explicit Hs. Consider calling AddHs()
-139: [08:08:13] Molecule does not have explicit Hs. Consider calling AddHs()
-139: ...
-139: ----------------------------------------------------------------------
-139: Ran 19 tests in 16.497s
-139: 
-139: OK
-139: Testing MolAlign Wrappers
-151/223 Test #139: pyMolAlign .............................   Passed   16.97 sec
+151/223 Test #146: moldraw2DTest1 .........................   Passed   10.94 sec
 test 163
         Start 163: deprotectTest
 
 163: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
 163: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect
 163: Test timeout computed to be: 1500
-163: Randomness seeded to: 3098479230
+163: Randomness seeded to: 113641273
 163: ===============================================================================
 163: All tests passed (111 assertions in 3 test cases)
 163: 
-152/223 Test #163: deprotectTest ..........................   Passed    0.09 sec
+152/223 Test #163: deprotectTest ..........................   Passed    0.15 sec
 test 164
         Start 164: pyDeprotect
 
@@ -24184,7 +24198,7 @@
 164: Test timeout computed to be: 1500
 164: .....
 164: ----------------------------------------------------------------------
-164: Ran 5 tests in 0.082s
+164: Ran 5 tests in 0.074s
 164: 
 164: OK
 164: Testing tert-butyldimethylsilyl
@@ -24237,9 +24251,7 @@
 164: Testing acetamide
 164: Testing carbobenzyloxy
 164: Testing Acetal/Ketal
-157: Randomness seeded to: 2181313896
-157: Timed out after 11 seconds.
-153/223 Test #164: pyDeprotect ............................   Passed    1.34 sec
+153/223 Test #164: pyDeprotect ............................   Passed    0.95 sec
 test 165
         Start 165: testReducedGraphs
 
@@ -24264,16 +24276,18 @@
 165: 
 165: 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, ]
 165: 
-154/223 Test #165: testReducedGraphs ......................   Passed    0.05 sec
+154/223 Test #165: testReducedGraphs ......................   Passed    0.09 sec
 test 166
         Start 166: pyReducedGraphs
 
 166: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
 166: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
 166: Test timeout computed to be: 1500
+158: Randomness seeded to: 888847131
+158: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
 166: .....
 166: ----------------------------------------------------------------------
-166: Ran 5 tests in 0.045s
+166: Ran 5 tests in 0.029s
 166: 
 166: OK
 155/223 Test #166: pyReducedGraphs ........................   Passed    0.81 sec
@@ -24283,68 +24297,475 @@
 167: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
 167: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory
 167: Test timeout computed to be: 1500
-156/223 Test #167: trajectoryTest .........................   Passed    0.50 sec
+156/223 Test #167: trajectoryTest .........................   Passed    0.63 sec
 test 168
         Start 168: substructLibraryTest
 
 168: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
 168: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
 168: Test timeout computed to be: 1500
-168: [08:08:17] -------------------------------------
-168: [08:08:17]     Test1
-168: [08:08:17]   done
-168: [08:08:17] -------------------------------------
-168: [08:08:17]     Test2
-150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-150: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-150: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-150: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-150: TOTAL Time elapsed 18.52 seconds
-157/223 Test #150: testFMCS ...............................   Passed   18.60 sec
+168: [04:48:51] -------------------------------------
+168: [04:48:51]     Test1
+168: [04:48:52]   done
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Test2
+157: Randomness seeded to: 2458832592
+157: Timed out after 11 seconds.
+168: [04:48:52]   done
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Test3 (stereo options)
+168: [04:48:52]     Done (stereo options)
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Test4 (trusted smiles)
+168: [04:48:52]     Done (trusted smiles)
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Testing C++ docs
+168: [04:48:52]     Done (C++ doc tests)
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Testing C++ ring query: PatternHolder
+168: [04:48:52]     Done (C++ ring query tests)
+168: [04:48:52] -------------------------------------
+168: [04:48:52]     Testing C++ ring query: TautomerPatternHolder
+168: [04:48:52]     Done (C++ ring query tests)
+168: [04:48:52] -------------------------------------
+168: [04:48:52]    Add Patterns 
+139: .............[04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:54] Molecule does not have explicit Hs. Consider calling AddHs()
+168: [04:48:59] -------------------------------------
+168: [04:48:59]    testing PatternHolder
+139: ...[04:48:59] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:59] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:59] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:59] Molecule does not have explicit Hs. Consider calling AddHs()
+139: [04:48:59] Molecule does not have explicit Hs. Consider calling AddHs()
+139: ...
+139: ----------------------------------------------------------------------
+139: Ran 19 tests in 22.109s
+139: 
+139: OK
+139: Testing MolAlign Wrappers
+168: [04:48:59] -------------------------------------
+168: [04:48:59]    testing TautomerPatternHolder
+157/223 Test #139: pyMolAlign .............................   Passed   22.64 sec
 test 169
         Start 169: substructLibraryCatchTest
 
 169: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
 169: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary
 169: Test timeout computed to be: 1500
-168: [08:08:17]   done
-168: [08:08:17] -------------------------------------
-168: [08:08:17]     Test3 (stereo options)
-168: [08:08:17]     Done (stereo options)
-168: [08:08:17] -------------------------------------
-168: [08:08:17]     Test4 (trusted smiles)
-168: [08:08:18]     Done (trusted smiles)
-168: [08:08:18] -------------------------------------
-168: [08:08:18]     Testing C++ docs
-168: [08:08:18]     Done (C++ doc tests)
-168: [08:08:18] -------------------------------------
-168: [08:08:18]     Testing C++ ring query: PatternHolder
-168: [08:08:18]     Done (C++ ring query tests)
-168: [08:08:18] -------------------------------------
-168: [08:08:18]     Testing C++ ring query: TautomerPatternHolder
-168: [08:08:18]     Done (C++ ring query tests)
-168: [08:08:18] -------------------------------------
-168: [08:08:18]    Add Patterns 
-137: 	---------------------------------
-137: 	 test O3A multithreading bug
-137: 
-137: 	---------------------------------
-137: 	 testCrippenO3A multithreading
-137: 
-137: generating reference data
-169: Randomness seeded to: 2677092136
-169: ===============================================================================
-169: All tests passed (171 assertions in 5 test cases)
-169: 
-158/223 Test #169: substructLibraryCatchTest ..............   Passed    1.69 sec
-test 170
-        Start 170: pySubstructLibrary
-
-170: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
-170: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
-170: Test timeout computed to be: 1500
+168: [04:48:59] -------------------------------------
+168: [04:48:59]    testSegFaultInHolder
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: [04:48:59] syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] SMILES Parse Error: syntax error while parsing: dsafsdf
+168: [04:48:59] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+168: [04:48:59] -------------------------------------
+168: [04:48:59]    Results do not depend on numThreads 
 162: VS001: PASSED
 162: VS002: PASSED
 162: VS003: PASSED
@@ -24647,646 +25068,267 @@
 162: VS300: PASSED
 162: Check finished: 0 molecules failed.
 162: Failed: 
-159/223 Test #162: pyCIPLabelsValidation ..................   Passed    7.21 sec
+158/223 Test #162: pyCIPLabelsValidation ..................   Passed   12.07 sec
+test 170
+        Start 170: pySubstructLibrary
+
+170: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
+170: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
+170: Test timeout computed to be: 1500
+169: Randomness seeded to: 2985333334
+169: ===============================================================================
+169: All tests passed (171 assertions in 5 test cases)
+169: 
+159/223 Test #169: substructLibraryCatchTest ..............   Passed    1.88 sec
 test 171
         Start 171: testRGroupDecomp
 
 171: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
 171: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 171: Test timeout computed to be: 1500
+171: [04:49:02] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
+171: [04:49:02] WARNING: not removing hydrogen atom with dummy atom neighbors
+137: 	---------------------------------
+137: 	 test O3A multithreading bug
+137: 
+137: 	---------------------------------
+137: 	 testCrippenO3A multithreading
+137: 
+137: generating reference data
 137: processing
 137:  launch :0
 137:  launch :1
 137:  launch :2
 137:  launch :3
-171: [08:08:20] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
-171: [08:08:20] WARNING: not removing hydrogen atom with dummy atom neighbors
-135: ......[08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: .[08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: .[08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: [08:08:22] Molecule does not have explicit Hs. Consider calling AddHs()
-135: .
-135: ----------------------------------------------------------------------
-135: Ran 19 tests in 26.256s
-135: 
-135: OK
-160/223 Test #135: pyDistGeomHelpers ......................   Passed   26.96 sec
+168: [04:49:04] -------------------------------------
+168: [04:49:04]    Results do not depend on numThreads (all same) 
+150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+150: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+150: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+150: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+150: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+150: TOTAL Time elapsed 25.15 seconds
+160/223 Test #150: testFMCS ...............................   Passed   25.23 sec
 test 172
         Start 172: testRGroupDecompInternals
 
 172: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
 172: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 172: Test timeout computed to be: 1500
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-172: [08:08:22] WARNING: not removing hydrogen atom with dummy atom neighbors
-161/223 Test #172: testRGroupDecompInternals ..............   Passed    0.03 sec
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+172: [04:49:04] WARNING: not removing hydrogen atom with dummy atom neighbors
+161/223 Test #172: testRGroupDecompInternals ..............   Passed    0.06 sec
 test 173
         Start 173: rgroupCatchTests
 
 173: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
 173: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition
 173: Test timeout computed to be: 1500
-171: iterative
-173: Randomness seeded to: 831549753
-173: ===============================================================================
-173: All tests passed (203 assertions in 13 test cases)
-173: 
-162/223 Test #173: rgroupCatchTests .......................   Passed    0.28 sec
+168: [04:49:04] -------------------------------------
+168: [04:49:04]    testTautomerQueries
+168: [04:49:04] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
+168: [04:49:04] -------------------------------------
+168: [04:49:04]   github3881 recursive smarts with rings 
+162/223 Test #168: substructLibraryTest ...................   Passed   13.29 sec
 test 174
         Start 174: pyRGroupDecomposition
 
 174: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
 174: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
 174: Test timeout computed to be: 1500
-168: [08:08:23] -------------------------------------
-168: [08:08:23]    testing PatternHolder
-168: [08:08:23] -------------------------------------
-168: [08:08:23]    testing TautomerPatternHolder
-171: bulk
-168: [08:08:23] -------------------------------------
-168: [08:08:23]    testSegFaultInHolder
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf[08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: 
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error[08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] [08:08:23] SMILES Parse Error:  while parsing: dsafsdf
-168: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] [08:08:23] SMILES Parse Error: SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[08:08:23] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'SMILES Parse Error: syntax error while parsing: dsafsdf
-168: SMILES Parse Error: Failed parsing SMILES 'dsafsdf''
-168: 
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168:  for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES[08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error[08:08:23]  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[08:08:23]  while parsing: dsafsdf
-168: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] '
-168: SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: '
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] SMILES Parse Error: syntax error while parsing: dsafsdf
-168: [08:08:23] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-168: [08:08:23] -------------------------------------
-168: [08:08:23]    Results do not depend on numThreads 
-174: ..................
-174: ----------------------------------------------------------------------
-174: Ran 18 tests in 1.373s
-174: 
-174: OK
-163/223 Test #174: pyRGroupDecomposition ..................   Passed    1.94 sec
+173: Randomness seeded to: 4156905523
+173: ===============================================================================
+173: All tests passed (203 assertions in 13 test cases)
+173: 
+163/223 Test #173: rgroupCatchTests .......................   Passed    0.32 sec
 test 175
         Start 175: molInterchangeTest1
 
 175: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
 175: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
 175: Test timeout computed to be: 1500
-175: [08:08:24] test1: basics
-175: [08:08:24] done
-175: [08:08:24] test2: basic writing
+175: [04:49:05] test1: basics
+175: [04:49:05] done
+175: [04:49:05] test2: basic writing
 175: {"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":"2023.09.3","cipRanks":[0,0]}]}]}
 175: {"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":"2023.09.3","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
 175: {"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":"2023.09.3","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]]}]}]}
 175: {"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":"2023.09.3","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]]}]}]}
-175: [08:08:24] done
-175: [08:08:24] test3: writing conformers
+175: [04:49:05] done
+175: [04:49:05] test3: writing conformers
 175: {"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":[[-1.1987,-0.0452],[-0.3332,0.4555],[0.1659,1.322],[0.5332,-0.0438],[-2.0652,0.4541],[-0.8339,1.3212]]},{"dim":3,"coords":[[0.9553,-0.3743,-0.4679],[-0.3616,-0.131,-0.0794],[-0.5097,1.6255,0.1705],[-0.5778,-0.7919,1.1042],[1.5276,0.1063,0.1627],[-1.0339,-0.4345,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
-175: [08:08:24] done
-175: [08:08:24] test4: writing properties
+175: [04:49:05] done
+175: [04:49:05] test4: writing properties
 175: {"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":"2023.09.3","cipRanks":[0,0]}]}]}
-175: [08:08:24] done
-175: [08:08:24] test5: writing partial charges
+175: [04:49:05] done
+175: [04:49:05] test5: writing partial charges
 175: {"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":"2023.09.3","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[0.5,-0.5]}]}]}
-175: [08:08:24] testing parse options
-175: [08:08:24] done
-175: [08:08:24] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
+175: [04:49:05] testing parse options
+175: [04:49:05] done
+175: [04:49:05] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
 175: {"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":"2023.09.3","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
-175: [08:08:24] done
-175: [08:08:24] testing 'either' stereochemistry
-175: [08:08:24] done
-164/223 Test #175: molInterchangeTest1 ....................   Passed    0.04 sec
+175: [04:49:05] done
+175: [04:49:05] testing 'either' stereochemistry
+175: [04:49:05] done
+164/223 Test #175: molInterchangeTest1 ....................   Passed    0.05 sec
 test 176
         Start 176: molInterchangeCatchTest
 
 176: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
 176: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange
 176: Test timeout computed to be: 1500
-176: Randomness seeded to: 2405590599
-176: [08:08:24]  unrecognized bond type 12 set to zero while writing
-176: [08:08:24]  unrecognized bond type 0 set to zero while writing
+176: Randomness seeded to: 4286404160
+176: [04:49:05]  unrecognized bond type 12 set to zero while writing
+176: [04:49:05]  unrecognized bond type 0 set to zero while writing
 176: ===============================================================================
 176: All tests passed (117 assertions in 5 test cases)
 176: 
-165/223 Test #176: molInterchangeCatchTest ................   Passed    0.05 sec
+165/223 Test #176: molInterchangeCatchTest ................   Passed    0.06 sec
 test 177
         Start 177: pyMolInterchange
 
 177: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
 177: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
 177: Test timeout computed to be: 1500
+171: iterative
 177: ..
 177: ----------------------------------------------------------------------
 177: Ran 2 tests in 0.015s
 177: 
 177: OK
-166/223 Test #177: pyMolInterchange .......................   Passed    0.56 sec
+166/223 Test #177: pyMolInterchange .......................   Passed    0.84 sec
 test 178
         Start 178: testSLNParse
 
 178: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
 178: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse
 178: Test timeout computed to be: 1500
-178: [08:08:25] SLN Parse Error: syntax error while parsing: CH4[I=13]
-178: [08:08:25] Failed parsing SLN 'CH4[I=13]'
-178: [08:08:25] SLN Parser error: Atom ID 1 appears *after* its ring closure.
-178: [08:08:25] SLN Parser error: Ring closure 1 does not have a corresponding opener.
-178: [08:08:25] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
-178: [08:08:25] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
-178: [08:08:25] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
-178: [08:08:25] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
-178: [08:08:25] SLN Parse Error: syntax error while parsing: CH4	fff
-178: [08:08:25] Failed parsing SLN 'CH4	fff'
-178: [08:08:25] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
-178: [08:08:25] Failed parsing SLN 'C[charge=+1] 	foo'
-178: [08:08:25] Query property 'is' ignored on non-query atom
-178: [08:08:25] Query property 'is' ignored on non-query atom
-167/223 Test #178: testSLNParse ...........................   Passed    0.04 sec
+178: [04:49:05] SLN Parse Error: syntax error while parsing: CH4[I=13]
+178: [04:49:05] Failed parsing SLN 'CH4[I=13]'
+178: [04:49:05] SLN Parser error: Atom ID 1 appears *after* its ring closure.
+178: [04:49:05] SLN Parser error: Ring closure 1 does not have a corresponding opener.
+178: [04:49:05] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
+178: [04:49:05] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
+178: [04:49:05] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
+178: [04:49:05] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
+178: [04:49:05] SLN Parse Error: syntax error while parsing: CH4	fff
+178: [04:49:05] Failed parsing SLN 'CH4	fff'
+178: [04:49:05] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
+178: [04:49:05] Failed parsing SLN 'C[charge=+1] 	foo'
+178: [04:49:05] Query property 'is' ignored on non-query atom
+178: [04:49:05] Query property 'is' ignored on non-query atom
+167/223 Test #178: testSLNParse ...........................   Passed    0.05 sec
 test 179
         Start 179: pySLNParse
 
 179: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap/testSLN.py"
 179: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap
 179: Test timeout computed to be: 1500
-171: bulk, no symmetry
 179: ..
 179: ----------------------------------------------------------------------
-179: Ran 2 tests in 0.010s
+179: Ran 2 tests in 0.030s
 179: 
 179: OK
-168/223 Test #179: pySLNParse .............................   Passed    0.55 sec
+168/223 Test #179: pySLNParse .............................   Passed    0.86 sec
 test 180
         Start 180: pyGraphMolWrap
 
 180: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rough_test.py"
 180: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 180: Test timeout computed to be: 1500
-171: [08:08:26] Relabelling existing label
-171: Best mapping
-169/223 Test #171: testRGroupDecomp .......................   Passed    6.39 sec
+174: ..................
+174: ----------------------------------------------------------------------
+174: Ran 18 tests in 1.836s
+174: 
+174: OK
+169/223 Test #174: pyRGroupDecomposition ..................   Passed    2.61 sec
 test 181
         Start 181: pyTestConformerWrap
 
 181: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testConformer.py"
 181: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 181: Test timeout computed to be: 1500
-180: ..............[08:08:26] SMARTS Parse Error: syntax error while parsing: fiib
-180: [08:08:26] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
-180: ....[08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] Spurious data before the first property will be ignored
-180: [08:08:26] Property <ID> will be truncated after the first blank line
-180: [08:08:26] Property <ID> will be truncated after the first blank line
-180: [08:08:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-180: [08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] Spurious data before the first property will be ignored
-180: [08:08:26] Property <ID> will be truncated after the first blank line
-180: [08:08:26] Property <ID> will be truncated after the first blank line
-180: [08:08:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-180: [08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-180: [08:08:26] ERROR: Problems encountered parsing data fields
-180: [08:08:26] ERROR: moving to the beginning of the next molecule
-180: [08:08:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-180: .[08:08:26] SMILES Parse Error: syntax error while parsing: fail
-180: [08:08:26] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-180: [08:08:26] ERROR: Smiles parse error on line 2
-180: [08:08:26] ERROR: Cannot create molecule from : 'fail'
+180: ..............[04:49:07] SMARTS Parse Error: syntax error while parsing: fiib
+180: [04:49:07] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
+171: bulk
+180: ....[04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] Spurious data before the first property will be ignored
+180: [04:49:07] Property <ID> will be truncated after the first blank line
+180: [04:49:07] Property <ID> will be truncated after the first blank line
+180: [04:49:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+180: [04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] Spurious data before the first property will be ignored
+180: [04:49:07] Property <ID> will be truncated after the first blank line
+180: [04:49:07] Property <ID> will be truncated after the first blank line
+180: [04:49:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+180: [04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+180: [04:49:07] ERROR: Problems encountered parsing data fields
+180: [04:49:07] ERROR: moving to the beginning of the next molecule
+180: [04:49:07] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+180: .[04:49:07] SMILES Parse Error: syntax error while parsing: fail
+180: [04:49:07] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+180: [04:49:07] ERROR: Smiles parse error on line 2
+180: [04:49:07] ERROR: Cannot create molecule from : 'fail'
 180: >>> This may result in an infinite loop.  It should finish almost instantly
 180: <<< OK, it finished.
-180: ............[08:08:26] Explicit valence for atom # 1 C, 5, is greater than permitted
-180: ............[08:08:26] non-ring atom 0 marked aromatic
-180: [08:08:26] non-ring atom 0 marked aromatic
-180: [08:08:26] 
+135: ......[04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: .[04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: .[04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: [04:49:07] Molecule does not have explicit Hs. Consider calling AddHs()
+135: .
+135: ----------------------------------------------------------------------
+135: Ran 19 tests in 32.588s
+135: 
+135: OK
+180: ............[04:49:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+180: ............[04:49:07] non-ring atom 0 marked aromatic
+180: [04:49:07] non-ring atom 0 marked aromatic
+180: [04:49:07] 
 180: 
 180: ****
 180: Range Error
@@ -25295,9 +25337,9 @@
 180: Failed Expression: 12 < 6
 180: ****
 180: 
-180: [08:08:26] non-ring atom 0 marked aromatic
-180: [08:08:26] non-ring atom 0 marked aromatic
-180: [08:08:26] 
+180: [04:49:07] non-ring atom 0 marked aromatic
+180: [04:49:07] non-ring atom 0 marked aromatic
+180: [04:49:07] 
 180: 
 180: ****
 180: Range Error
@@ -25306,23 +25348,36 @@
 180: Failed Expression: 12 < 6
 180: ****
 180: 
-180: ...............[08:08:26] 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.
-180: [08:08:26] 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.
-180: ..............[08:08:26] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-180: [08:08:26] Explicit valence for atom # 1 C, 5, is greater than permitted
-181: ......
-181: ----------------------------------------------------------------------
-181: Ran 6 tests in 0.016s
-181: 
-181: OK
-170/223 Test #181: pyTestConformerWrap ....................   Passed    0.30 sec
+180: ...............[04:49:07] 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.
+180: [04:49:07] 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.
+170/223 Test #135: pyDistGeomHelpers ......................   Passed   33.52 sec
 test 182
         Start 182: pyTestTrajectory
 
 182: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testTrajectory.py"
 182: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 182: Test timeout computed to be: 1500
-182: [08:08:27] 
+180: ..............[04:49:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+180: [04:49:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+181: ......
+181: ----------------------------------------------------------------------
+181: Ran 6 tests in 0.021s
+181: 
+181: OK
+171/223 Test #181: pyTestConformerWrap ....................   Passed    0.62 sec
+test 183
+        Start 183: pyTestSGroups
+
+183: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testSGroups.py"
+183: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
+183: Test timeout computed to be: 1500
+183: .............
+183: ----------------------------------------------------------------------
+183: Ran 13 tests in 0.046s
+183: 
+183: OK
+183: Testing SubstanceGroups wrapper
+182: [04:49:08] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25331,7 +25386,7 @@
 182: Failed Expression: from < static_cast<int>(size())
 182: ****
 182: 
-182: .[08:08:27] 
+182: .[04:49:08] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25340,7 +25395,14 @@
 182: Failed Expression: from < static_cast<int>(size())
 182: ****
 182: 
-182: .[08:08:27] 
+172/223 Test #183: pyTestSGroups ..........................   Passed    0.83 sec
+test 184
+        Start 184: pyTestThreads
+
+184: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testThreads.py"
+184: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
+184: Test timeout computed to be: 1500
+182: .[04:49:09] 
 182: 
 182: ****
 182: Range Error
@@ -25349,7 +25411,7 @@
 182: Failed Expression: 0 < 0
 182: ****
 182: 
-182: .[08:08:27] 
+182: .[04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25358,7 +25420,7 @@
 182: Failed Expression: traj.dimension() == 3
 182: ****
 182: 
-182: ..[08:08:27] 
+182: ..[04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25367,7 +25429,7 @@
 182: Failed Expression: traj.dimension() == 3
 182: ****
 182: 
-182: .[08:08:27] 
+182: .[04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25376,7 +25438,7 @@
 182: Failed Expression: d_pos
 182: ****
 182: 
-182: [08:08:27] 
+182: [04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25385,7 +25447,7 @@
 182: Failed Expression: d_trajectory
 182: ****
 182: 
-182: .[08:08:27] 
+182: .[04:49:09] 
 182: 
 182: ****
 182: Range Error
@@ -25394,7 +25456,7 @@
 182: Failed Expression: 5 < 5
 182: ****
 182: 
-182: [08:08:27] 
+182: [04:49:09] 
 182: 
 182: ****
 182: Range Error
@@ -25403,7 +25465,7 @@
 182: Failed Expression: 10 < 10
 182: ****
 182: 
-182: .[08:08:27] 
+182: .[04:49:09] 
 182: 
 182: ****
 182: Range Error
@@ -25412,7 +25474,7 @@
 182: Failed Expression: 5 < 5
 182: ****
 182: 
-182: [08:08:27] 
+182: [04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25421,7 +25483,7 @@
 182: Failed Expression: d_trajectory->dimension() == 2
 182: ****
 182: 
-182: [08:08:27] 
+182: [04:49:09] 
 182: 
 182: ****
 182: Pre-condition Violation
@@ -25432,183 +25494,141 @@
 182: 
 182: .
 182: ----------------------------------------------------------------------
-182: Ran 9 tests in 0.188s
+182: Ran 9 tests in 0.781s
 182: 
 182: OK
 182: Testing Trajectory wrapper
-171/223 Test #182: pyTestTrajectory .......................   Passed    0.57 sec
-test 183
-        Start 183: pyTestSGroups
-
-183: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testSGroups.py"
-183: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
-183: Test timeout computed to be: 1500
-183: .............
-183: ----------------------------------------------------------------------
-183: Ran 13 tests in 0.014s
-183: 
-183: OK
-183: Testing SubstanceGroups wrapper
-172/223 Test #183: pyTestSGroups ..........................   Passed    0.31 sec
-test 184
-        Start 184: pyTestThreads
-
-184: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testThreads.py"
-184: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
-184: Test timeout computed to be: 1500
-168: [08:08:27] -------------------------------------
-168: [08:08:27]    Results do not depend on numThreads (all same) 
-168: [08:08:28] -------------------------------------
-168: [08:08:28]    testTautomerQueries
-168: [08:08:28] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
-168: [08:08:28] -------------------------------------
-168: [08:08:28]   github3881 recursive smarts with rings 
-173/223 Test #168: substructLibraryTest ...................   Passed   11.10 sec
+173/223 Test #182: pyTestTrajectory .......................   Passed    2.03 sec
 test 185
         Start 185: pyTestMultithreadedMolSupplier
 
 185: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
 185: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 185: Test timeout computed to be: 1500
+171: bulk, no symmetry
 185: .s.
 185: ----------------------------------------------------------------------
-185: Ran 3 tests in 0.339s
+185: Ran 3 tests in 0.158s
 185: 
 185: OK (skipped=1)
 185: Testing Smiles and SD MultithreadedMolSupplier
-174/223 Test #185: pyTestMultithreadedMolSupplier .........   Passed    0.87 sec
+174/223 Test #185: pyTestMultithreadedMolSupplier .........   Passed    1.02 sec
 test 186
         Start 186: pyTestPropertyLists
 
 186: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testPropertyLists.py"
 186: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 186: Test timeout computed to be: 1500
-186: [08:08:29] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-186: [08:08:29] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-186: [08:08:29] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-186: .[08:08:29] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-186: [08:08:29] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-186: [08:08:29] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-186: ...[08:08:29] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-186: [08:08:29] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-186: [08:08:29] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+186: [04:49:11] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+186: [04:49:11] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+186: [04:49:11] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+186: .[04:49:11] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+186: [04:49:11] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+186: [04:49:11] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+186: ...[04:49:11] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+186: [04:49:11] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+186: [04:49:11] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
 186: .
 186: ----------------------------------------------------------------------
-186: Ran 5 tests in 0.021s
+186: Ran 5 tests in 0.029s
 186: 
 186: OK
-175/223 Test #186: pyTestPropertyLists ....................   Passed    0.57 sec
+175/223 Test #186: pyTestPropertyLists ....................   Passed    0.81 sec
 test 187
         Start 187: pyCDXMLTest
 
 187: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/test_cdxml.py"
 187: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap
 187: Test timeout computed to be: 1500
+171: [04:49:11] Relabelling existing label
 187: .
 187: ----------------------------------------------------------------------
-187: Ran 1 test in 0.018s
+187: Ran 1 test in 0.014s
 187: 
 187: OK
-176/223 Test #187: pyCDXMLTest ............................   Passed    0.62 sec
+176/223 Test #187: pyCDXMLTest ............................   Passed    0.56 sec
 test 188
         Start 188: molStandardizeTest
 
 188: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
 188: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 188: Test timeout computed to be: 1500
-177/223 Test #188: molStandardizeTest .....................   Passed    1.15 sec
+171: Best mapping
+177/223 Test #171: testRGroupDecomp .......................   Passed   10.95 sec
 test 189
         Start 189: molNormalizeTest
 
 189: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
 189: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 189: Test timeout computed to be: 1500
-189: [08:08:31] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
-189: [08:08:31] Initializing Normalizer
-189: [08:08:31] Running Normalizer
-189: [08:08:31] Rule applied: BrokenazidetoN=N+=N-
-189: [08:08:31] Initializing Normalizer
-189: [08:08:31] Running Normalizer
-189: [08:08:31] Initializing Normalizer
-189: [08:08:31] Running Normalizer
-178/223 Test #189: molNormalizeTest .......................   Passed    0.17 sec
+189: [04:49:12] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
+189: [04:49:12] Initializing Normalizer
+189: [04:49:12] Running Normalizer
+189: [04:49:12] Rule applied: BrokenazidetoN=N+=N-
+189: [04:49:12] Initializing Normalizer
+189: [04:49:12] Running Normalizer
+189: [04:49:12] Initializing Normalizer
+189: [04:49:12] Running Normalizer
+178/223 Test #189: molNormalizeTest .......................   Passed    0.09 sec
 test 190
         Start 190: molValidateTest
 
 190: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
 190: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 190: Test timeout computed to be: 1500
-179/223 Test #190: molValidateTest ........................   Passed    0.07 sec
+179/223 Test #190: molValidateTest ........................   Passed    0.06 sec
 test 191
         Start 191: molChargeTest
 
 191: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
 191: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 191: Test timeout computed to be: 1500
-180/223 Test #191: molChargeTest ..........................   Passed    0.13 sec
+180/223 Test #191: molChargeTest ..........................   Passed    0.20 sec
 test 192
         Start 192: molTautomerTest
 
 192: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
 192: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 192: Test timeout computed to be: 1500
-180: ...........................[08:08:31]  unable to set wavy bonds for double bonds: 3
-180: .........[08:08:31] 
-180: 
-180: ****
-180: Range Error
-180: idx
-180: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp
-180: Failed Expression: 6 < 5
-180: ****
-180: 
-192: [08:08:32] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-137: 	---------------------------------
-137: 	 test getO3AForProbeConfs
-137: 
-137: ***********************************************************
-181/223 Test #137: testO3AAlign ...........................   Passed   35.93 sec
+192: [04:49:13] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+181/223 Test #188: molStandardizeTest .....................   Passed    1.61 sec
 test 193
         Start 193: molStandardizeSmallTest
 
 193: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
 193: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 193: Test timeout computed to be: 1500
-192: [08:08:32] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-182/223 Test #193: molStandardizeSmallTest ................   Passed    0.07 sec
+192: [04:49:13] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+182/223 Test #193: molStandardizeSmallTest ................   Passed    0.08 sec
 test 194
         Start 194: molFragmentTest
 
 194: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
 194: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 194: Test timeout computed to be: 1500
-192: [08:08:32] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-194: [08:08:32] SMARTS Parse Error: syntax error while parsing: [Cl
-194: [08:08:32] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
-183/223 Test #194: molFragmentTest ........................   Passed    0.08 sec
+192: [04:49:13] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+194: [04:49:13] SMARTS Parse Error: syntax error while parsing: [Cl
+194: [04:49:13] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
+183/223 Test #194: molFragmentTest ........................   Passed    0.10 sec
 test 195
         Start 195: molStandardizeCatchTest
 
 195: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
 195: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize
 195: Test timeout computed to be: 1500
-192: [08:08:32] Tautomer enumeration stopped at 125 tautomers: canceled
+192: [04:49:14] Tautomer enumeration stopped at 119 tautomers: canceled
 192: Enumeration was canceled due to timeout (50 ms)
-195: Randomness seeded to: 2175974316
+195: Randomness seeded to: 2490390649
 195:  * - * - * - * m1
 195:  * - * - * - * m2
 195:  * - * - * - * m1
 195:  * - * - * - * m2
-195: [08:08:32] Can't kekulize mol.  Unkekulized atoms: 3 7
-195: [08:08:32] Can't kekulize mol.  Unkekulized atoms: 3 8
-195: [08:08:32] Can't kekulize mol.  Unkekulized atoms: 2 3 4
+195: [04:49:14] Can't kekulize mol.  Unkekulized atoms: 3 7
+195: [04:49:14] Can't kekulize mol.  Unkekulized atoms: 3 8
+195: [04:49:14] Can't kekulize mol.  Unkekulized atoms: 2 3 4
 192: 375
 192: Enumeration has completed
-192: [08:08:33] Tautomer enumeration stopped at 117 tautomers: canceled
-180: ...................[08:08:33] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:33] Explicit valence for atom # 6 F, 2, is greater than permitted
-180: [08:08:33] Can't kekulize mol.  Unkekulized atoms: 3 4 5
-180: ...............[08:08:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+192: [04:49:14] Tautomer enumeration stopped at 69 tautomers: canceled
 192: CN=c1cc[nH]cn1
 192: CN=c1ccnc[nH]1
 192: CNc1ccncn1
@@ -25616,66 +25636,62 @@
 192: CN=c1cccc[nH]1
 192: CNc1ccccn1
 192: res: CNc1ccccn1
-184/223 Test #192: molTautomerTest ........................   Passed    1.91 sec
+180: ...........................[04:49:15]  unable to set wavy bonds for double bonds: 3
+180: .........[04:49:15] 
+180: 
+180: ****
+180: Range Error
+180: idx
+180: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp
+180: Failed Expression: 6 < 5
+180: ****
+180: 
+184/223 Test #192: molTautomerTest ........................   Passed    2.91 sec
 test 196
         Start 196: pyMolStandardize
 
 196: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
 196: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
 196: Test timeout computed to be: 1500
-196: .....[08:08:34] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-196: [08:08:34] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-196: .[08:08:34] Tautomer enumeration stopped at 93 tautomers: canceled
+196: .....[04:49:16] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+196: [04:49:16] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+196: .[04:49:16] Tautomer enumeration stopped at 88 tautomers: canceled
 196: Enumeration was canceled due to timeout (50 ms)
-196: Enumeration has completed
-196: [08:08:35] Tautomer enumeration stopped at 63 tautomers: canceled
-196: ....................[08:08:35] Explicit valence for atom # 1 O, 3, is greater than permitted
-196: .
-196: ----------------------------------------------------------------------
-196: Ran 27 tests in 1.803s
-196: 
-196: OK
-196: done
-185/223 Test #196: pyMolStandardize .......................   Passed    2.20 sec
+180: ...................[04:49:16] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:16] Explicit valence for atom # 6 F, 2, is greater than permitted
+180: [04:49:16] Can't kekulize mol.  Unkekulized atoms: 3 4 5
+180: ...............[04:49:17] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+195: ===============================================================================
+195: All tests passed (18691 assertions in 41 test cases)
+195: 
+185/223 Test #195: molStandardizeCatchTest ................   Passed    3.39 sec
 test 197
         Start 197: testScaffoldNetwork
 
 197: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
 197: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork
 197: Test timeout computed to be: 1500
-170: ......[08:08:37] 
-170: 
-170: ****
-170: Pre-condition Violation
-170: RingInfo not initialized
-170: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
-170: Failed Expression: df_init
-170: ****
-170: 
-170: [08:08:37] 
-170: 
-170: ****
-170: Pre-condition Violation
-170: RingInfo not initialized
-170: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
-170: Failed Expression: df_init
-170: ****
-170: 
-197: Randomness seeded to: 1876334790
-197: ===============================================================================
-197: All tests passed (269 assertions in 19 test cases)
-197: 
-186/223 Test #197: testScaffoldNetwork ....................   Passed    1.70 sec
+196: Enumeration has completed
+196: [04:49:17] Tautomer enumeration stopped at 63 tautomers: canceled
+196: ....................[04:49:18] Explicit valence for atom # 1 O, 3, is greater than permitted
+196: .
+196: ----------------------------------------------------------------------
+196: Ran 27 tests in 1.879s
+196: 
+196: OK
+196: done
+186/223 Test #196: pyMolStandardize .......................   Passed    2.59 sec
 test 198
         Start 198: pyScaffoldNetwork
 
 198: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
 198: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
 198: Test timeout computed to be: 1500
-195: ===============================================================================
-195: All tests passed (18691 assertions in 41 test cases)
-195: 
-187/223 Test #195: molStandardizeCatchTest ................   Passed    5.11 sec
+197: Randomness seeded to: 662075326
+197: ===============================================================================
+197: All tests passed (269 assertions in 19 test cases)
+197: 
+187/223 Test #197: testScaffoldNetwork ....................   Passed    1.07 sec
 test 199
         Start 199: pyScaffoldNetworkPickling
 
@@ -25684,48 +25700,48 @@
 199: Test timeout computed to be: 1500
 198: .......
 198: ----------------------------------------------------------------------
-198: Ran 7 tests in 0.080s
+198: Ran 7 tests in 0.024s
 198: 
 198: OK
-188/223 Test #198: pyScaffoldNetwork ......................   Passed    0.88 sec
+188/223 Test #198: pyScaffoldNetwork ......................   Passed    0.33 sec
 test 200
         Start 200: testMolEnumerator
 
 200: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
 200: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator
 200: Test timeout computed to be: 1500
-199: .
-199: ----------------------------------------------------------------------
-199: Ran 1 test in 0.024s
-199: 
-199: OK
-200: Randomness seeded to: 2137530673
-200: [08:08:38] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
+200: Randomness seeded to: 3042969149
+200: [04:49:18] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
 200: ===============================================================================
 200: All tests passed (321 assertions in 16 test cases)
 200: 
-189/223 Test #200: testMolEnumerator ......................   Passed    0.11 sec
+189/223 Test #200: testMolEnumerator ......................   Passed    0.06 sec
 test 201
         Start 201: pyMolEnumerator
 
 201: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
 201: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
 201: Test timeout computed to be: 1500
-190/223 Test #199: pyScaffoldNetworkPickling ..............   Passed    0.82 sec
+199: .
+199: ----------------------------------------------------------------------
+199: Ran 1 test in 0.009s
+199: 
+199: OK
+190/223 Test #199: pyScaffoldNetworkPickling ..............   Passed    0.45 sec
 test 202
         Start 202: testAbbreviations
 
 202: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
 202: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations
 202: Test timeout computed to be: 1500
-202: Randomness seeded to: 2505810429
-202: [08:08:38] SMARTS Parse Error: syntax error while parsing: *fail
-202: [08:08:38] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
-202: [08:08:38] no suitable SubstanceGroups found
+202: Randomness seeded to: 2244489904
+202: [04:49:18] SMARTS Parse Error: syntax error while parsing: *fail
+202: [04:49:18] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
+202: [04:49:18] no suitable SubstanceGroups found
 202: ===============================================================================
 202: All tests passed (195 assertions in 12 test cases)
 202: 
-191/223 Test #202: testAbbreviations ......................   Passed    0.08 sec
+191/223 Test #202: testAbbreviations ......................   Passed    0.04 sec
 test 203
         Start 203: pyAbbreviations
 
@@ -25734,10 +25750,10 @@
 203: Test timeout computed to be: 1500
 201: ...
 201: ----------------------------------------------------------------------
-201: Ran 3 tests in 0.024s
+201: Ran 3 tests in 0.016s
 201: 
 201: OK
-192/223 Test #201: pyMolEnumerator ........................   Passed    0.60 sec
+192/223 Test #201: pyMolEnumerator ........................   Passed    0.54 sec
 test 204
         Start 204: generalizedSubstructCatch
 
@@ -25746,21 +25762,21 @@
 204: Test timeout computed to be: 1500
 203: .......
 203: ----------------------------------------------------------------------
-203: Ran 7 tests in 0.025s
+203: Ran 7 tests in 0.029s
 203: 
 203: OK
-193/223 Test #203: pyAbbreviations ........................   Passed    0.57 sec
+193/223 Test #203: pyAbbreviations ........................   Passed    0.58 sec
 test 205
         Start 205: pyGeneralizedSubstruct
 
 205: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
 205: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
 205: Test timeout computed to be: 1500
-204: Randomness seeded to: 968979691
+204: Randomness seeded to: 1851950427
 204: ===============================================================================
 204: All tests passed (180 assertions in 10 test cases)
 204: 
-194/223 Test #204: generalizedSubstructCatch ..............   Passed    0.35 sec
+194/223 Test #204: generalizedSubstructCatch ..............   Passed    0.28 sec
 test 206
         Start 206: testQuery
 
@@ -25836,7 +25852,7 @@
 207: 9.49496e+07
 207: 2.25618e+08
 207: 1.30219e+08
-196/223 Test #207: testMatCalc ............................   Passed    0.02 sec
+196/223 Test #207: testMatCalc ............................   Passed    0.03 sec
 test 208
         Start 208: pyMatCalc
 
@@ -25848,19 +25864,19 @@
 205: Ran 7 tests in 0.215s
 205: 
 205: OK
-197/223 Test #205: pyGeneralizedSubstruct .................   Passed    0.86 sec
+197/223 Test #205: pyGeneralizedSubstruct .................   Passed    0.83 sec
 test 209
         Start 209: testSimDivPickers
 
 209: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/testSimDivPickers
 209: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers
 209: Test timeout computed to be: 1500
-209: [08:08:40] -------------------------------------
-209: [08:08:40] Testing github issue 1421: MaxMinPicker picking non-existent element.
-209: [08:08:40] Done
-209: [08:08:40] -------------------------------------
-209: [08:08:40] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
-209: [08:08:40] Done
+209: [04:49:20] -------------------------------------
+209: [04:49:20] Testing github issue 1421: MaxMinPicker picking non-existent element.
+209: [04:49:20] Done
+209: [04:49:20] -------------------------------------
+209: [04:49:20] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
+209: [04:49:20] Done
 198/223 Test #209: testSimDivPickers ......................   Passed    0.01 sec
 test 210
         Start 210: pickersTestsCatch
@@ -25868,31 +25884,52 @@
 210: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
 210: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers
 210: Test timeout computed to be: 1500
-208: .....
-208: ----------------------------------------------------------------------
-208: Ran 5 tests in 0.407s
-208: 
-208: OK
-210: Randomness seeded to: 1326630964
+210: Randomness seeded to: 4280052364
 210: ===============================================================================
 210: All tests passed (21267 assertions in 1 test case)
 210: 
-199/223 Test #210: pickersTestsCatch ......................   Passed    0.16 sec
+199/223 Test #210: pickersTestsCatch ......................   Passed    0.11 sec
 test 211
         Start 211: pySimDivPickers
 
 211: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/testPickers.py"
 211: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap
 211: Test timeout computed to be: 1500
-200/223 Test #208: pyMatCalc ..............................   Passed    0.91 sec
+208: .....
+208: ----------------------------------------------------------------------
+208: Ran 5 tests in 0.449s
+208: 
+208: OK
+200/223 Test #208: pyMatCalc ..............................   Passed    1.16 sec
 test 212
         Start 212: pyRanker
 
 212: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/testRanker.py"
 212: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap
 212: Test timeout computed to be: 1500
-211: [08:08:40] the useCache argument is deprecated and ignored
-212: ..[08:08:40] 
+211: [04:49:20] the useCache argument is deprecated and ignored
+170: ......[04:49:20] 
+170: 
+170: ****
+170: Pre-condition Violation
+170: RingInfo not initialized
+170: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
+170: Failed Expression: df_init
+170: ****
+170: 
+170: [04:49:20] 
+170: 
+170: ****
+170: Pre-condition Violation
+170: RingInfo not initialized
+170: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp
+170: Failed Expression: df_init
+170: ****
+170: 
+211: ...[04:49:21] the useCache argument is deprecated and ignored
+211: [04:49:21] the useCache argument is deprecated and ignored
+211: .[04:49:21] the useCache argument is deprecated and ignored
+212: ..[04:49:21] 
 212: 
 212: ****
 212: Invariant Violation
@@ -25903,10 +25940,10 @@
 212: 
 212: ...
 212: ----------------------------------------------------------------------
-212: Ran 5 tests in 0.026s
+212: Ran 5 tests in 0.028s
 212: 
 212: OK
-201/223 Test #212: pyRanker ...............................   Passed    0.52 sec
+201/223 Test #212: pyRanker ...............................   Passed    0.54 sec
 test 213
         Start 213: testChemicalFeatures
 
@@ -25923,10 +25960,78 @@
 214: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/Wrap/testFeatures.py"
 214: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap
 214: Test timeout computed to be: 1500
-211: ...[08:08:40] the useCache argument is deprecated and ignored
-211: [08:08:40] the useCache argument is deprecated and ignored
-211: .[08:08:40] the useCache argument is deprecated and ignored
-180: ..[08:08:41] 
+203/223 Test #184: pyTestThreads ..........................   Passed   12.81 sec
+test 215
+        Start 215: pythonTestDbCLI
+
+215: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Projects/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/Projects"
+215: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Projects
+215: Test timeout computed to be: 1500
+214: ..
+214: ----------------------------------------------------------------------
+214: Ran 2 tests in 0.001s
+214: 
+214: OK
+214: Testing ChemicalFeatures Wrapper code:
+211: .......
+211: ----------------------------------------------------------------------
+211: Ran 11 tests in 1.381s
+211: 
+211: OK
+204/223 Test #214: pyFeatures .............................   Passed    0.93 sec
+test 216
+        Start 216: pythonTestDirRoot
+
+216: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit"
+216: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
+216: Test timeout computed to be: 1500
+205/223 Test #211: pySimDivPickers ........................   Passed    1.84 sec
+test 217
+        Start 217: pythonTestDirML
+
+217: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/ML/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/ML"
+217: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
+217: Test timeout computed to be: 1500
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:21: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML import BuildComposite
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:83: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   refCompos = pickle.load(pklF)
+215: [04:49:23] INFO: Reading molecules and constructing molecular database.
+215: 
+215: [04:49:23] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:23] INFO:   Processing 10 molecules
+215: 
+215: [04:49:23] INFO: Generating fingerprints and descriptors:
+215: 
+215: [04:49:23] INFO: Finished.
+215: 
+217: ...../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:198: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   refCompos = pickle.load(pklFile)
+217: .
+217: ----------------------------------------------------------------------
+217: Ran 6 tests in 0.638s
+217: 
+217: OK
+216: .........................
+216: ----------------------------------------------------------------------
+216: Ran 25 tests in 1.117s
+216: 
+216: OK
+206/223 Test #216: pythonTestDirRoot ......................   Passed    1.62 sec
+test 218
+        Start 218: pythonTestDirDataStructs
+
+218: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs"
+218: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
+218: Test timeout computed to be: 1500
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:20: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML import ScreenComposite
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:276: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   compos = pickle.load(pklF)
+217: ../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:330: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   compos = pickle.load(pklF)
+180: ..[04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -25935,7 +26040,7 @@
 180: Failed Expression: dp_mol
 180: ****
 180: 
-180: [08:08:41] 
+180: [04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -25944,7 +26049,7 @@
 180: Failed Expression: dp_mol
 180: ****
 180: 
-180: [08:08:41] 
+180: [04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -25953,7 +26058,7 @@
 180: Failed Expression: dp_mol
 180: ****
 180: 
-180: [08:08:41] 
+180: [04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -25962,7 +26067,7 @@
 180: Failed Expression: dp_mol
 180: ****
 180: 
-180: [08:08:41] 
+180: [04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -25971,7 +26076,7 @@
 180: Failed Expression: dp_mol
 180: ****
 180: 
-180: .....[08:08:41] 
+180: .....[04:49:24] 
 180: 
 180: ****
 180: Range Error
@@ -25980,35 +26085,35 @@
 180: Failed Expression: 0 < 0
 180: ****
 180: 
-180: ......[08:08:41] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-180: [08:08:41] ERROR: Smiles parse error on line 0
-180: [08:08:41] ERROR: Cannot create molecule from : 'c1ccccc'
-180: [08:08:41] SMILES Parse Error: extra open parentheses for input: 'C(C'
-180: [08:08:41] ERROR: Smiles parse error on line 3
-180: [08:08:41] ERROR: Cannot create molecule from : 'C(C'
-180: [08:08:41] Explicit valence for atom # 1 C, 5, is greater than permitted
-180: [08:08:41] ERROR: Could not sanitize molecule on line 6
-180: [08:08:41] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-180: [08:08:41] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-180: [08:08:41] ERROR: Smiles parse error on line 0
-180: [08:08:41] ERROR: Cannot create molecule from : 'c1ccccc'
-180: [08:08:41] SMILES Parse Error: extra open parentheses for input: 'C(C'
-180: [08:08:41] ERROR: Smiles parse error on line 3
-180: [08:08:41] ERROR: Cannot create molecule from : 'C(C'
-180: [08:08:41] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
-180: [08:08:41] ERROR: Smiles parse error on line 6
-180: [08:08:41] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
-180: [08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] ERROR: Could not sanitize molecule ending on line 21
-180: [08:08:41] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] ERROR: EOF hit while reading atoms
-180: [08:08:41] ERROR: moving to the beginning of the next molecule
-180: [08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] ERROR: Could not sanitize molecule ending on line 21
-180: [08:08:41] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] ERROR: EOF hit while reading atoms
-180: [08:08:41] ERROR: moving to the beginning of the next molecule
-180: ....[08:08:41] 
+180: ......[04:49:24] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+180: [04:49:24] ERROR: Smiles parse error on line 0
+180: [04:49:24] ERROR: Cannot create molecule from : 'c1ccccc'
+180: [04:49:24] SMILES Parse Error: extra open parentheses for input: 'C(C'
+180: [04:49:24] ERROR: Smiles parse error on line 3
+180: [04:49:24] ERROR: Cannot create molecule from : 'C(C'
+180: [04:49:24] Explicit valence for atom # 1 C, 5, is greater than permitted
+180: [04:49:24] ERROR: Could not sanitize molecule on line 6
+180: [04:49:24] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+180: [04:49:24] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+180: [04:49:24] ERROR: Smiles parse error on line 0
+180: [04:49:24] ERROR: Cannot create molecule from : 'c1ccccc'
+180: [04:49:24] SMILES Parse Error: extra open parentheses for input: 'C(C'
+180: [04:49:24] ERROR: Smiles parse error on line 3
+180: [04:49:24] ERROR: Cannot create molecule from : 'C(C'
+180: [04:49:24] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
+180: [04:49:24] ERROR: Smiles parse error on line 6
+180: [04:49:24] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
+180: [04:49:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:24] ERROR: Could not sanitize molecule ending on line 21
+180: [04:49:24] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:24] ERROR: EOF hit while reading atoms
+180: [04:49:24] ERROR: moving to the beginning of the next molecule
+180: [04:49:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:24] ERROR: Could not sanitize molecule ending on line 21
+180: [04:49:24] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:24] ERROR: EOF hit while reading atoms
+180: [04:49:24] ERROR: moving to the beginning of the next molecule
+180: ....[04:49:24] 
 180: 
 180: ****
 180: Pre-condition Violation
@@ -26017,7 +26122,7 @@
 180: Failed Expression: df_init
 180: ****
 180: 
-180: ..........[08:08:41] 
+180: ..........[04:49:24] 
 180: 
 180: ****
 180: Range Error
@@ -26026,168 +26131,282 @@
 180: Failed Expression: 3 < 1
 180: ****
 180: 
-180: ..[08:08:41] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-180: ..........................[08:08:41] SMILES Parse Error: unclosed ring for input: 'C1CC'
-180: ......[08:08:41] WARNING: not removing hydrogen atom without neighbors
-180: [08:08:41] WARNING: not removing hydrogen atom with dummy atom neighbors
-180: [08:08:41] WARNING: not removing hydrogen atom with wedged bond
-180: [08:08:41] WARNING: not removing hydrogen atom without neighbors
-180: [08:08:41] WARNING: not removing hydrogen atom with dummy atom neighbors
-214: ..
-214: ----------------------------------------------------------------------
-214: Ran 2 tests in 0.006s
-214: 
-214: OK
-214: Testing ChemicalFeatures Wrapper code:
-30: [08:08:41] Finished
-30: [08:08:41] -------------------------------------
-30: [08:08:41]     Test github1843: RWMol.clear() should not destroy ring pointer.
-30: [08:08:41] Finished
-203/223 Test  #30: graphmolTest1 ..........................   Passed   52.48 sec
-test 215
-        Start 215: pythonTestDbCLI
-
-215: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/Projects/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/Projects"
-215: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Projects
-215: Test timeout computed to be: 1500
-204/223 Test #214: pyFeatures .............................   Passed    0.54 sec
-test 216
-        Start 216: pythonTestDirRoot
-
-216: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit"
-216: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
-216: Test timeout computed to be: 1500
-180: .....[08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-180: .[08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] Explicit valence for atom # 1 F, 2, is greater than permitted
-180: [08:08:41] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-180: [08:08:41] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-180: [08:08:41] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-180: ..........[08:08:41] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-180: [08:08:41] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-180: .[08:08:41] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-180: ..[08:08:41] SMILES Parse Error: syntax error while parsing: error
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
-180: [08:08:41] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
-180: [08:08:41] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
-180: ................[08:08:41] SMILES Parse Error: syntax error while parsing: garbage_0
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
-180: [08:08:41] SMILES Parse Error: syntax error while parsing: garbage_2
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
-180: [08:08:41] SMILES Parse Error: syntax error while parsing: garbage_4
-180: [08:08:41] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
-180: ..........
-180: ----------------------------------------------------------------------
-180: Ran 248 tests in 15.002s
-180: 
-180: OK
-180: 643
-180: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
-180: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
-180: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
-205/223 Test #180: pyGraphMolWrap .........................   Passed   15.44 sec
-test 217
-        Start 217: pythonTestDirML
-
-217: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/ML/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/ML"
-217: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
-217: Test timeout computed to be: 1500
-206/223 Test #184: pyTestThreads ..........................   Passed   13.92 sec
-test 218
-        Start 218: pythonTestDirDataStructs
-
-218: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs"
-218: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
-218: Test timeout computed to be: 1500
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:21: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML import BuildComposite
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:83: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   refCompos = pickle.load(pklF)
+180: ..[04:49:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+217: ..........
+217: ----------------------------------------------------------------------
+217: Ran 12 tests in 0.317s
+217: 
+217: OK
 218: .......
 218: ----------------------------------------------------------------------
-218: Ran 7 tests in 0.024s
+218: Ran 7 tests in 0.031s
 218: 
 218: OK
-217: ...../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:198: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   refCompos = pickle.load(pklFile)
-217: .
-217: ----------------------------------------------------------------------
-217: Ran 6 tests in 0.371s
-217: 
-217: OK
-211: .......
-211: ----------------------------------------------------------------------
-211: Ran 11 tests in 1.924s
-211: 
-211: OK
-216: .........................
-216: ----------------------------------------------------------------------
-216: Ran 25 tests in 0.875s
-216: 
-216: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:20: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML import ScreenComposite
-207/223 Test #211: pySimDivPickers ........................   Passed    2.45 sec
+180: ..........................[04:49:24] SMILES Parse Error: unclosed ring for input: 'C1CC'
+180: ......[04:49:24] WARNING: not removing hydrogen atom without neighbors
+180: [04:49:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+180: [04:49:24] WARNING: not removing hydrogen atom with wedged bond
+180: [04:49:24] WARNING: not removing hydrogen atom without neighbors
+180: [04:49:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+137: 	---------------------------------
+137: 	 test getO3AForProbeConfs
+137: 
+137: ***********************************************************
+207/223 Test #137: testO3AAlign ...........................   Passed   50.51 sec
 test 219
         Start 219: pythonTestDirDbase
 
 219: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase"
 219: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
 219: Test timeout computed to be: 1500
-208/223 Test #216: pythonTestDirRoot ......................   Passed    1.27 sec
+180: .....[04:49:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+180: .[04:49:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:25] Explicit valence for atom # 1 F, 2, is greater than permitted
+180: [04:49:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+180: [04:49:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+180: [04:49:25] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML import AnalyzeComposite
+180: ..........[04:49:25] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+180: [04:49:25] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+180: .[04:49:25] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+180: ..[04:49:25] SMILES Parse Error: syntax error while parsing: error
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
+180: [04:49:25] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
+180: [04:49:25] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
+180: ................[04:49:25] SMILES Parse Error: syntax error while parsing: garbage_0
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
+180: [04:49:25] SMILES Parse Error: syntax error while parsing: garbage_2
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
+180: [04:49:25] SMILES Parse Error: syntax error while parsing: garbage_4
+180: [04:49:25] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+180: ..........
+180: ----------------------------------------------------------------------
+180: Ran 248 tests in 17.671s
+180: 
+180: OK
+180: 262
+180: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
+180: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
+180: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
+215: [04:49:25] INFO: Reading molecules and constructing molecular database.
+215: 
+215: [04:49:25] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:25] INFO:   Processing 163 molecules
+215: 
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+208/223 Test #180: pyGraphMolWrap .........................   Passed   18.61 sec
 test 220
         Start 220: pythonTestDirSimDivFilters
 
 220: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters"
 220: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
 220: Test timeout computed to be: 1500
-215: [08:08:42] INFO: Reading molecules and constructing molecular database.
-215: 
-215: [08:08:42] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-215: 
-215: [08:08:42] INFO:   Processing 10 molecules
-215: 
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 218: ..................................
 218: ----------------------------------------------------------------------
-218: Ran 34 tests in 0.003s
+218: Ran 34 tests in 0.016s
 218: 
 218: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:276: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   compos = pickle.load(pklF)
-215: [08:08:42] INFO: Generating fingerprints and descriptors:
-215: 
-217: ../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:330: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   compos = pickle.load(pklF)
-215: [08:08:42] INFO: Finished.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:31: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   c1 = pickle.load(pklF)
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] INFO:   done 100
 215: 
-217: ..........
-217: ----------------------------------------------------------------------
-217: Ran 12 tests in 0.142s
-217: 
-217: OK
 219: ..
 219: ----------------------------------------------------------------------
-219: Ran 2 tests in 0.016s
+219: Ran 2 tests in 0.027s
 219: 
 219: OK
+217: .
+217: ----------------------------------------------------------------------
+217: Ran 1 test in 0.063s
+217: 
+217: OK
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:25] INFO: Generating fingerprints and descriptors:
+215: 
 219: ...........
 219: ----------------------------------------------------------------------
-219: Ran 11 tests in 0.024s
+219: Ran 11 tests in 0.040s
 219: 
 219: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML import AnalyzeComposite
-218: .....
-218: ----------------------------------------------------------------------
-218: Ran 5 tests in 0.008s
-218: 
-218: OK
-209/223 Test #220: pythonTestDirSimDivFilters .............   Passed    0.72 sec
+209/223 Test #220: pythonTestDirSimDivFilters .............   Passed    0.76 sec
 test 221
         Start 221: pythonTestDirVLib
 
@@ -26199,11 +26418,11 @@
 219: Ran 1 test in 0.001s
 219: 
 219: OK
-134: [08:08:43] UFFTYPER: Unrecognized atom type: S_6+6 (0)
-134: [08:08:43] UFFTYPER: Warning: hybridization set to SP3 for atom 0
-134: [08:08:43] UFFTYPER: Unrecognized charge state for atom: 0
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:31: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   c1 = pickle.load(pklF)
+218: .....
+218: ----------------------------------------------------------------------
+218: Ran 5 tests in 0.008s
+218: 
+218: OK
 219: FF......F......
 219: ======================================================================
 219: FAIL: test1Txt (__main__.TestCase.test1Txt)
@@ -26244,36 +26463,31 @@
 219: Ran 15 tests in 0.019s
 219: 
 219: FAILED (failures=3)
-217: .
+217: ...
 217: ----------------------------------------------------------------------
-217: Ran 1 test in 0.063s
+217: Ran 3 tests in 0.009s
 217: 
 217: OK
-218: .......
-218: ----------------------------------------------------------------------
-218: Ran 7 tests in 0.001s
-218: 
-218: OK
-221: .............
-221: ----------------------------------------------------------------------
-221: Ran 13 tests in 0.020s
-221: 
-221: OK
 219: ......
 219: ----------------------------------------------------------------------
 219: Ran 6 tests in 0.003s
 219: 
 219: OK
+221: .............
+221: ----------------------------------------------------------------------
+221: Ran 13 tests in 0.024s
+221: 
+221: OK
 219: !!! TEST FAILURE:  python UnitTestDbUtils.py {}
-210/223 Test #219: pythonTestDirDbase .....................***Failed    1.24 sec
+210/223 Test #219: pythonTestDirDbase .....................***Failed    1.58 sec
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.016s
+Ran 2 tests in 0.027s
 
 OK
 ...........
 ----------------------------------------------------------------------
-Ran 11 tests in 0.024s
+Ran 11 tests in 0.040s
 
 OK
 .
@@ -26334,242 +26548,60 @@
 222: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/sping"
 222: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit
 222: Test timeout computed to be: 1500
-211/223 Test #218: pythonTestDirDataStructs ...............   Passed    2.36 sec
+217: ........
+217: ----------------------------------------------------------------------
+217: Ran 8 tests in 0.000s
+217: 
+217: OK
+218: .......
+218: ----------------------------------------------------------------------
+218: Ran 7 tests in 0.001s
+218: 
+218: OK
+211/223 Test #218: pythonTestDirDataStructs ...............   Passed    3.51 sec
 test 223
         Start 223: pythonTestDirChem
 
 223: Test command: /usr/bin/python3.12 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Chem" "--buildType" "None"
 223: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem
 223: Test timeout computed to be: 1500
-134: ===============================================================================
-134: All tests passed (448 assertions in 10 test cases)
-134: 
-217: ...
-217: ----------------------------------------------------------------------
-217: Ran 3 tests in 0.001s
-217: 
-217: OK
-212/223 Test #134: distGeomHelpersCatch ...................   Passed   49.06 sec
-215: [08:08:44] INFO: Reading molecules and constructing molecular database.
-215: 
-215: [08:08:44] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-215: 
-215: [08:08:44] INFO:   Processing 163 molecules
-215: 
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] INFO:   done 100
-215: 
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:44] INFO: Generating fingerprints and descriptors:
-215: 
 221: ...........
 221: ----------------------------------------------------------------------
-221: Ran 11 tests in 0.068s
+221: Ran 11 tests in 0.076s
 221: 
 221: OK
-217: ........
-217: ----------------------------------------------------------------------
-217: Ran 8 tests in 0.000s
-217: 
-217: OK
-213/223 Test #221: pythonTestDirVLib ......................   Passed    1.37 sec
-223: .......
-223: ----------------------------------------------------------------------
-223: Ran 7 tests in 0.119s
-223: 
-223: OK
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML.Composite import Composite
 222: ..
 222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.376s
+222: Ran 2 tests in 0.188s
 222: 
 222: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML.Composite import Composite
-214/223 Test #222: pythonTestSping ........................   Passed    1.36 sec
+212/223 Test #222: pythonTestSping ........................   Passed    0.97 sec
+213/223 Test #221: pythonTestDirVLib ......................   Passed    1.50 sec
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree.DecTree import DecTreeNode as Node
-223: ......
+223: .......
 223: ----------------------------------------------------------------------
-223: Ran 6 tests in 0.022s
+223: Ran 7 tests in 0.144s
 223: 
 223: OK
 217: ....
 217: ----------------------------------------------------------------------
-217: Ran 4 tests in 0.408s
+217: Ran 4 tests in 0.621s
+217: 
+217: OK
+223: ......
+223: ----------------------------------------------------------------------
+223: Ran 6 tests in 0.055s
+223: 
+223: OK
+217: .....
+217: ----------------------------------------------------------------------
+217: Ran 5 tests in 0.001s
 217: 
 217: OK
-223: ....[08:08:45] 
+223: ....[04:49:29] 
 223: 
 223: ****
 223: Pre-condition Violation
@@ -26580,12 +26612,12 @@
 223: 
 223: .
 223: ----------------------------------------------------------------------
-223: Ran 5 tests in 0.010s
+223: Ran 5 tests in 0.026s
 223: 
 223: OK
-217: .....
+217: .........
 217: ----------------------------------------------------------------------
-217: Ran 5 tests in 0.005s
+217: Ran 9 tests in 0.002s
 217: 
 217: OK
 223: ....
@@ -26593,597 +26625,611 @@
 223: Ran 4 tests in 0.010s
 223: 
 223: OK
-217: .........
+217: ............
 217: ----------------------------------------------------------------------
-217: Ran 9 tests in 0.005s
+217: Ran 12 tests in 0.009s
 217: 
 217: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.007s
+223: Ran 2 tests in 0.019s
 223: 
 223: OK
-215: [08:08:47] INFO: Finished.
-215: 
-217: ............
-217: ----------------------------------------------------------------------
-217: Ran 12 tests in 0.001s
-217: 
-217: OK
+134: [04:49:30] UFFTYPER: Unrecognized atom type: S_6+6 (0)
+134: [04:49:31] UFFTYPER: Warning: hybridization set to SP3 for atom 0
+134: [04:49:31] UFFTYPER: Unrecognized charge state for atom: 0
 223: ......................
 223: ----------------------------------------------------------------------
-223: Ran 22 tests in 0.025s
+223: Ran 22 tests in 0.020s
 223: 
 223: OK
 217: .....
 217: ----------------------------------------------------------------------
-217: Ran 5 tests in 0.022s
+217: Ran 5 tests in 0.018s
 217: 
 217: OK
+215: [04:49:31] INFO: Finished.
+215: 
 223: .....s.................ss
 223: ----------------------------------------------------------------------
-223: Ran 25 tests in 0.075s
+223: Ran 25 tests in 0.084s
 223: 
 223: OK (skipped=3)
-215: .[08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+134: ===============================================================================
+134: All tests passed (448 assertions in 10 test cases)
+134: 
+214/223 Test #134: distGeomHelpersCatch ...................   Passed   58.74 sec
 223: ..s
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.088s
+223: Ran 3 tests in 0.193s
 223: 
 223: OK (skipped=1)
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:47] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: .[08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: .[04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTreeUtils.py:8: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree import TreeUtils
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: .
 217: ----------------------------------------------------------------------
 217: Ran 1 test in 0.000s
 217: 
 217: OK
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTree.py:13: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree import Tree
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: ......
 217: ----------------------------------------------------------------------
 217: Ran 6 tests in 0.001s
 217: 
 217: OK
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestXVal.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree import CrossValidate, randomtest
-215: .[08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 223: ...................................
 223: ----------------------------------------------------------------------
-223: Ran 35 tests in 1.099s
+223: Ran 35 tests in 1.057s
 223: 
 223: OK
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:33] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.027s
+223: Ran 4 tests in 0.025s
 223: 
 223: OK
 217: ....
 217: ----------------------------------------------------------------------
-217: Ran 4 tests in 0.544s
+217: Ran 4 tests in 0.740s
 217: 
 217: OK
+215: .[04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 223: .
 223: ----------------------------------------------------------------------
-223: Ran 1 test in 0.006s
+223: Ran 1 test in 0.015s
 223: 
 223: OK
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestID3.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree import ID3
 217: ......
 217: ----------------------------------------------------------------------
-217: Ran 6 tests in 0.012s
+217: Ran 6 tests in 0.027s
 217: 
 217: OK
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestPrune.py:9: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML.DecTree import ID3, CrossValidate, PruneTree
 223: .......
 223: ----------------------------------------------------------------------
-223: Ran 7 tests in 0.022s
+223: Ran 7 tests in 0.052s
 223: 
 223: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestPrune.py:9: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML.DecTree import ID3, CrossValidate, PruneTree
 217: ..
 217: ----------------------------------------------------------------------
-217: Ran 2 tests in 0.109s
+217: Ran 2 tests in 0.106s
 217: 
 217: OK
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.029s
+223: Ran 3 tests in 0.030s
 223: 
 223: OK
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestQuantTree.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.DecTree import BuildQuantTree
+217: ..........
+217: ----------------------------------------------------------------------
+217: Ran 10 tests in 0.019s
+217: 
+217: OK
+215: .[04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:36] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestSigTree.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
+217:   from rdkit.ML.DecTree.BuildSigTree import BuildSigTree, _GenerateRandomEnsemble
+217: .....
+217: ----------------------------------------------------------------------
+217: Ran 5 tests in 0.098s
+217: 
+217: OK
 170: .............
 170: ----------------------------------------------------------------------
-170: Ran 19 tests in 31.147s
+170: Ran 19 tests in 35.821s
 170: 
 170: OK
 170: Testing atom rings
@@ -27191,749 +27237,734 @@
 170: searching atom rings
 170: searching bond rings
 170: done
-215/223 Test #170: pySubstructLibrary .....................   Passed   31.76 sec
-217: ..........
+217: ..
 217: ----------------------------------------------------------------------
-217: Ran 10 tests in 0.014s
+217: Ran 2 tests in 0.002s
 217: 
 217: OK
-217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestSigTree.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
-217:   from rdkit.ML.DecTree.BuildSigTree import BuildSigTree, _GenerateRandomEnsemble
 223: .ss.ss.......
 223: ----------------------------------------------------------------------
-223: Ran 13 tests in 0.626s
+223: Ran 13 tests in 1.124s
 223: 
 223: OK (skipped=4)
+215/223 Test #170: pySubstructLibrary .....................   Passed   36.76 sec
 217: .....
 217: ----------------------------------------------------------------------
-217: Ran 5 tests in 0.081s
+217: Ran 5 tests in 0.016s
 217: 
 217: OK
-215: ....[08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-217: ..
-217: ----------------------------------------------------------------------
-217: Ran 2 tests in 0.002s
-217: 
-217: OK
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: [08:08:51] Molecule does not have explicit Hs. Consider calling AddHs()
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: .[08:08:51] Molecule does not have explicit Hs. Consider calling AddHs()
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-217: .....
-217: ----------------------------------------------------------------------
-217: Ran 5 tests in 0.021s
-217: 
-217: OK
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: [04:49:38] Molecule does not have explicit Hs. Consider calling AddHs()
 217: ...
 217: ----------------------------------------------------------------------
-217: Ran 3 tests in 0.006s
+217: Ran 3 tests in 0.010s
 217: 
 217: OK
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: .[04:49:38] Molecule does not have explicit Hs. Consider calling AddHs()
 217: ...
 217: ----------------------------------------------------------------------
-217: Ran 3 tests in 0.218s
+217: Ran 3 tests in 0.419s
 217: 
 217: OK
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/KNN/UnitTestKNN.py:11: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.KNN import (CrossValidate, DistFunctions, KNNModel,
 217: ......
 217: ----------------------------------------------------------------------
-217: Ran 6 tests in 0.245s
+217: Ran 6 tests in 0.338s
 217: 
 217: OK
-215: .[08:08:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: ....[04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:40] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.Composite import Composite
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.ModelPackage import Packager, PackageUtils
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:72: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   model = pickle.load(modelF)
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: .......
 217: ----------------------------------------------------------------------
-217: Ran 7 tests in 0.084s
+217: Ran 7 tests in 0.202s
 217: 
 217: OK
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/NaiveBayes/UnitTestNB.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.NaiveBayes import CrossValidate
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: ....
 217: ----------------------------------------------------------------------
-217: Ran 4 tests in 0.006s
+217: Ran 4 tests in 0.014s
 217: 
 217: OK
-215: .[08:08:55] INFO: Reading molecules and constructing molecular database.
-215: 
-215: [08:08:55] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-215: 
-215: [08:08:55] INFO:   Processing 10 molecules
-215: 
-215: [08:08:55] INFO: Generating fingerprints and descriptors:
-215: 
-215: [08:08:55] INFO: Finished.
-215: 
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestTrainer.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.Neural import Network, Trainers
-133: [08:08:55]   done
-215: [08:08:55] INFO: Reading molecules and constructing molecular database.
-215: 
-215: [08:08:55] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-215: 
-215: [08:08:55] INFO:   Processing 10 molecules
-215: 
-215: [08:08:55] INFO: Generating fingerprints and descriptors:
-215: 
-215: [08:08:55] INFO: Finished.
-215: 
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: .[04:49:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 217: .....
 217: ----------------------------------------------------------------------
-217: Ran 5 tests in 1.127s
+217: Ran 5 tests in 2.339s
 217: 
 217: OK
 217: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestOther.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release
 217:   from rdkit.ML.Neural.ActFuncs import Sigmoid, TanH
-215: [08:08:56] INFO: Reading molecules and constructing molecular database.
-215: 
-215: [08:08:56] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
-215: 
-215: [08:08:56] INFO:   Processing 10 molecules
-215: 
-215: [08:08:56] INFO: Generating fingerprints and descriptors:
-215: 
-215: [08:08:56] INFO: Finished.
-215: 
 217: ....
 217: ----------------------------------------------------------------------
 217: Ran 4 tests in 0.001s
 217: 
 217: OK
+215: .[04:49:45] INFO: Reading molecules and constructing molecular database.
+215: 
+215: [04:49:45] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:45] INFO:   Processing 10 molecules
+215: 
+215: [04:49:46] INFO: Generating fingerprints and descriptors:
+215: 
+215: [04:49:46] INFO: Finished.
+215: 
 217: ....
 217: ----------------------------------------------------------------------
 217: Ran 4 tests in 0.000s
 217: 
 217: OK
-158: ===============================================================================
-158: All tests passed (93 assertions in 5 test cases)
-158: 
-216/223 Test #158: testRascalCluster ......................   Passed   52.28 sec
 217: ....
 217: ----------------------------------------------------------------------
-217: Ran 4 tests in 0.004s
+217: Ran 4 tests in 0.008s
 217: 
 217: OK
-217/223 Test #217: pythonTestDirML ........................   Passed   15.73 sec
-215: [08:08:57] INFO: Reading molecules and constructing molecular database.
+216/223 Test #217: pythonTestDirML ........................   Passed   24.34 sec
+215: [04:49:47] INFO: Reading molecules and constructing molecular database.
 215: 
-215: [08:08:57] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: [04:49:47] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 215: 
-215: [08:08:57] INFO: Generating fingerprints and descriptors:
+215: [04:49:47] INFO:   Processing 10 molecules
 215: 
-215: [08:08:57] INFO: Finished.
+215: [04:49:47] INFO: Generating fingerprints and descriptors:
 215: 
-133: CNC[C@H]1CC[C@H](C[NH3+])CC1
-215: [08:08:58] INFO: Reading molecules and constructing molecular database.
+215: [04:49:47] INFO: Finished.
 215: 
-215: [08:08:58] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: [04:49:48] INFO: Reading molecules and constructing molecular database.
 215: 
-215: [08:08:58] INFO: Generating fingerprints and descriptors:
+215: [04:49:48] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 215: 
-215: [08:08:58] INFO: Finished.
+215: [04:49:48] INFO:   Processing 10 molecules
 215: 
-215: .[08:08:59] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong.
+215: [04:49:48] INFO: Generating fingerprints and descriptors:
 215: 
-215: [08:08:59] INFO: Reading molecules and constructing molecular database.
+215: [04:49:48] INFO: Finished.
 215: 
-215: [08:08:59] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: [04:49:49] INFO: Reading molecules and constructing molecular database.
 215: 
-215: [08:08:59] INFO:   Processing 163 molecules
+215: [04:49:49] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 215: 
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] INFO:   done 100
+215: [04:49:49] INFO: Generating fingerprints and descriptors:
 215: 
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-133: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:08:59] INFO: Generating fingerprints and descriptors:
+215: [04:49:49] INFO: Finished.
 215: 
-215: [08:08:59] INFO: Finished.
+215: [04:49:50] INFO: Reading molecules and constructing molecular database.
 215: 
-133: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
-133: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-133: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
-215: [08:09:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-133: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
-133: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
-133: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
-133: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
-133: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
-215: .[08:09:01] INFO: Reading molecules and constructing molecular database.
+215: [04:49:50] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
 215: 
-215: [08:09:01] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: [04:49:50] INFO: Generating fingerprints and descriptors:
 215: 
-215: [08:09:01] INFO:   Processing 10 molecules
+215: [04:49:50] INFO: Finished.
 215: 
-215: [08:09:02] INFO: Generating fingerprints and descriptors:
+30: [04:49:51] Finished
+30: [04:49:51] -------------------------------------
+30: [04:49:51]     Test github1843: RWMol.clear() should not destroy ring pointer.
+30: [04:49:51] Finished
+217/223 Test  #30: graphmolTest1 ..........................   Passed   87.32 sec
+158: ===============================================================================
+158: All tests passed (93 assertions in 5 test cases)
+158: 
+218/223 Test #158: testRascalCluster ......................   Passed   68.06 sec
+215: .[04:49:52] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong.
 215: 
-215: [08:09:02] INFO: Finished.
+215: [04:49:52] INFO: Reading molecules and constructing molecular database.
 215: 
-133: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
-215: [08:09:03] INFO: Reading molecules and constructing molecular database.
+215: [04:49:52] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:52] INFO:   Processing 163 molecules
+215: 
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] INFO:   done 100
+215: 
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:52] INFO: Generating fingerprints and descriptors:
+215: 
+215: [04:49:53] INFO: Finished.
+215: 
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: [04:49:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+215: .[04:49:56] INFO: Reading molecules and constructing molecular database.
+215: 
+215: [04:49:56] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:56] INFO:   Processing 10 molecules
 215: 
-215: [08:09:03] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: [04:49:56] INFO: Generating fingerprints and descriptors:
 215: 
-215: [08:09:03] INFO:   Processing 10 molecules
+215: [04:49:56] INFO: Finished.
 215: 
-215: [08:09:03] INFO: Generating fingerprints and descriptors:
+215: [04:49:57] INFO: Reading molecules and constructing molecular database.
 215: 
-215: [08:09:03] INFO: Finished.
+215: [04:49:57] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt
+215: 
+215: [04:49:57] INFO:   Processing 10 molecules
+215: 
+215: [04:49:57] INFO: Generating fingerprints and descriptors:
+215: 
+215: [04:49:58] INFO: Finished.
 215: 
 215: .
 215: ----------------------------------------------------------------------
-215: Ran 12 tests in 21.546s
+215: Ran 12 tests in 36.453s
 215: 
 215: OK
-218/223 Test #215: pythonTestDbCLI ........................   Passed   21.99 sec
+219/223 Test #215: pythonTestDbCLI ........................   Passed   36.86 sec
+133: [04:50:04]   done
+133: CNC[C@H]1CC[C@H](C[NH3+])CC1
+133: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
+133: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
+133: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12
+133: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
+133: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
+133: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
+133: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
+133: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
+133: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
+133: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
+223: ....................[04:50:17] WARNING: More than one matching pattern found - picking one
+223: 
+223: [04:50:17] WARNING: More than one matching pattern found - picking one
+223: 
+223: .[04:50:17] WARNING: More than one matching pattern found - picking one
+223: 
 133: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
 133: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
 133: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
 133: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
+157: ===============================================================================
+157: All tests passed (2552 assertions in 23 test cases)
+157: 
+220/223 Test #157: testRascalMCES .........................   Passed   97.58 sec
 133: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
 133: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
 133: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
 133: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
-133: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
-133: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
-133: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
-157: ===============================================================================
-157: All tests passed (2552 assertions in 23 test cases)
-157: 
-219/223 Test #157: testRascalMCES .........................   Passed   65.16 sec
-133: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
-133: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
-133: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
-133: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
-133: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
-133: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
-133: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
-133: [08:09:12] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-133: [08:09:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: ....................[08:09:16] WARNING: More than one matching pattern found - picking one
-223: 
-223: [08:09:16] WARNING: More than one matching pattern found - picking one
-223: 
-223: .[08:09:16] WARNING: More than one matching pattern found - picking one
-223: 
-133: [08:09:17] Molecule does not have explicit Hs. Consider calling AddHs()
-220/223 Test #133: testDistGeomHelpers ....................   Passed   82.12 sec
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 25 tests in 26.133s
+223: Ran 25 tests in 43.963s
 223: 
 223: OK
-223: {'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl'}
-223: {'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl'}
-223: {'F[C@H](Cl)[C@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl'}
+223: {'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl'}
+223: {'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl'}
+223: {'F[C@H](Cl)[C@@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl'}
 223: !!!! ['C[C@H]([C@H](C)Br)[C@@H](C)F', 'C[C@@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)Br)[C@@H](C)F', 'C[C@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)F)[C@H](C)Br', 'C[C@@H]([C@H](C)F)[C@@H](C)Br', 'C[C@H]([C@H](C)F)[C@H](C)Br', 'C[C@H]([C@H](C)F)[C@@H](C)Br']
+133: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
 223: ........
 223: ----------------------------------------------------------------------
-223: Ran 8 tests in 0.063s
+223: Ran 8 tests in 0.231s
 223: 
 223: OK
-223: .[08:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-223: F....[08:09:20] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:20] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:20] WARNING: not removing hydrogen atom without neighbors
-223: ....[08:09:20] WARNING: not removing hydrogen atom without neighbors
+223: .[04:50:24] Molecule does not have explicit Hs. Consider calling AddHs()
+133: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
+133: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+133: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
+133: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
+133: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
+223: F....[04:50:29] WARNING: not removing hydrogen atom without neighbors
+223: [04:50:29] WARNING: not removing hydrogen atom without neighbors
+223: [04:50:29] WARNING: not removing hydrogen atom without neighbors
+223: ....[04:50:29] WARNING: not removing hydrogen atom without neighbors
 223: ......
 223: ======================================================================
 223: FAIL: testGet3DMolDescriptors (__main__.TestCase.testGet3DMolDescriptors)
@@ -27944,16 +27975,22 @@
 223: AssertionError: 20.954531335493083 != 20.954531335493417
 223: 
 223: ----------------------------------------------------------------------
-223: Ran 16 tests in 1.939s
+223: Ran 16 tests in 5.185s
 223: 
 223: FAILED (failures=1)
-223: [08:09:20] WARNING: Omitted undefined stereo
+133: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
+133: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
+223: [04:50:29] WARNING: Omitted undefined stereo
 223: 
-223: [08:09:20] WARNING: Proton(s) added/removed
+223: [04:50:29] WARNING: Proton(s) added/removed
 223: 
-223: ..[08:09:22] ERROR: Add/Remove protons error; *Conversion failed*
+133: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
+133: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
+133: [04:50:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+133: [04:50:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: ..[04:50:33] ERROR: Add/Remove protons error; *Conversion failed*
 223: 
-223: [08:09:22] ERROR: Add/Remove protons error; *Conversion failed*
+223: [04:50:33] ERROR: Add/Remove protons error; *Conversion failed*
 223: 
 223: E....
 223: ======================================================================
@@ -27966,27 +28003,23 @@
 223: AttributeError: 'NoneType' object has no attribute 'GetAtoms'
 223: 
 223: ----------------------------------------------------------------------
-223: Ran 7 tests in 1.452s
+223: Ran 7 tests in 3.744s
 223: 
 223: FAILED (errors=1)
 223: 
 223: InChI write Summary: 1160 identical, 0 suffix variance, 21 reasonable
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.707s
+223: Ran 4 tests in 1.422s
 223: 
 223: OK
 223: ......
 223: ----------------------------------------------------------------------
-223: Ran 6 tests in 0.174s
+223: Ran 6 tests in 0.321s
 223: 
 223: OK
 223: /build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py:218: SyntaxWarning: invalid escape sequence '\O'
 223:   csv_data = '''"Molecule ChEMBL ID";"Molecule Name";"Molecule Max Phase";"Molecular Weight";"#RO5 Violations";"AlogP";"Compound Key";"Smiles";"Standard Type";"Standard Relation";"Standard Value";"Standard Units";"pChEMBL Value";"Data Validity Comment";"Comment";"Uo Units";"Ligand Efficiency BEI";"Ligand Efficiency LE";"Ligand Efficiency LLE";"Ligand Efficiency SEI";"Potential Duplicate";"Assay ChEMBL ID";"Assay Description";"Assay Type";"BAO Format ID";"BAO Label";"Assay Organism";"Assay Tissue ChEMBL ID";"Assay Tissue Name";"Assay Cell Type";"Assay Subcellular Fraction";"Target ChEMBL ID";"Target Name";"Target Organism";"Target Type";"Document ChEMBL ID";"Source ID";"Source Description";"Document Journal";"Document Year";"Cell ChEMBL ID"
-6: [08:09:24] Finished: testMultipleTimes() 
-6: [08:09:24] 
-6: -----------------------------------------
-221/223 Test   #6: testConcurrentQueue ....................   Passed   95.48 sec
 223: Failed to find the pandas get_adjustment() function to patch
 223: Failed to patch pandas - PandasTools will have limited functionality
 223: Failed to patch pandas - unable to change molecule rendering
@@ -28035,7 +28068,7 @@
 223: Traceback (most recent call last):
 223:   File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py", line 229, in testPandasShouldShowMoleculesWhenTruncating
 223:     self.assertIn('data-content="rdkit/molecule"', html_output)
-223: AssertionError: 'data-content="rdkit/molecule"' not found in '<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>Molecule ChEMBL ID</th>\n      <th>Molecule Name</th>\n      <th>Molecule Max Phase</th>\n      <th>Molecular Weight</th>\n      <th>#RO5 Violations</th>\n      <th>...</th>\n      <th>Source Description</th>\n      <th>Document Journal</th>\n      <th>Document Year</th>\n      <th>Cell ChEMBL ID</th>\n      <th>ROMol</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>"CHEMBL543779"</td>\n      <td>NaN</td>\n      <td>0</td>\n      <td>341.86</td>\n      <td>0</td>\n      <td>...</td>\n      <td>Scientific Literature</td>\n      <td>J. Med. Chem.</td>\n      <td>1986</td>\n      <td>NaN</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff8149b060&gt;</td>\n    </tr>\n  </tbody>\n</table>\n</div>'
+223: AssertionError: 'data-content="rdkit/molecule"' not found in '<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>Molecule ChEMBL ID</th>\n      <th>Molecule Name</th>\n      <th>Molecule Max Phase</th>\n      <th>Molecular Weight</th>\n      <th>#RO5 Violations</th>\n      <th>...</th>\n      <th>Source Description</th>\n      <th>Document Journal</th>\n      <th>Document Year</th>\n      <th>Cell ChEMBL ID</th>\n      <th>ROMol</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>"CHEMBL543779"</td>\n      <td>NaN</td>\n      <td>0</td>\n      <td>341.86</td>\n      <td>0</td>\n      <td>...</td>\n      <td>Scientific Literature</td>\n      <td>J. Med. Chem.</td>\n      <td>1986</td>\n      <td>NaN</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffae24f060&gt;</td>\n    </tr>\n  </tbody>\n</table>\n</div>'
 223: 
 223: ======================================================================
 223: FAIL: test_RestoreMonkeyPatch (__main__.TestPandasTools.test_RestoreMonkeyPatch)
@@ -28043,296 +28076,298 @@
 223: Traceback (most recent call last):
 223:   File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py", line 64, in test_RestoreMonkeyPatch
 223:     self.assertIn('data:image/png;base64', html)
-223: AssertionError: 'data:image/png;base64' not found in '<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>prop1</th>\n      <th>prop2</th>\n      <th>ID</th>\n      <th>ROMol</th>\n      <th>prop3</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>12.34</td>\n      <td>qwe</td>\n      <td>Methane</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff814999a0&gt;</td>\n      <td>NaN</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>NaN</td>\n      <td>rtz</td>\n      <td>Peroxide</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff809422d0&gt;</td>\n      <td>yxcv</td>\n    </tr>\n  </tbody>\n</table>'
+223: AssertionError: 'data:image/png;base64' not found in '<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>prop1</th>\n      <th>prop2</th>\n      <th>ID</th>\n      <th>ROMol</th>\n      <th>prop3</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>12.34</td>\n      <td>qwe</td>\n      <td>Methane</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffae24d9a0&gt;</td>\n      <td>NaN</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>NaN</td>\n      <td>rtz</td>\n      <td>Peroxide</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffad6f22d0&gt;</td>\n      <td>yxcv</td>\n    </tr>\n  </tbody>\n</table>'
 223: 
 223: ----------------------------------------------------------------------
-223: Ran 28 tests in 0.632s
+223: Ran 28 tests in 2.361s
 223: 
 223: FAILED (failures=2, skipped=2)
-223: ..............[08:09:30] WARNING: More than one matching pattern found - picking one
+133: [04:50:41] Molecule does not have explicit Hs. Consider calling AddHs()
+221/223 Test #133: testDistGeomHelpers ....................   Passed  128.58 sec
+223: ..............[04:50:51] WARNING: More than one matching pattern found - picking one
 223: 
-223: [08:09:30] WARNING: More than one matching pattern found - picking one
+223: [04:50:51] WARNING: More than one matching pattern found - picking one
 223: 
-223: ..[08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-223: [08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-223: [08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-223: [08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
+223: ..[04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+223: [04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+223: [04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+223: [04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
 223: .........
 223: ----------------------------------------------------------------------
-223: Ran 25 tests in 5.107s
+223: Ran 25 tests in 10.746s
 223: 
 223: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.027s
+223: Ran 2 tests in 0.111s
 223: 
 223: OK
 223: ..s...
 223: ----------------------------------------------------------------------
-223: Ran 6 tests in 0.591s
+223: Ran 6 tests in 2.025s
 223: 
 223: OK (skipped=1)
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.012s
+223: Ran 2 tests in 0.035s
 223: 
 223: OK
 223: ..............
 223: ----------------------------------------------------------------------
-223: Ran 14 tests in 2.652s
+223: Ran 14 tests in 8.707s
 223: 
 223: OK
-223: ..[08:09:40] WARNING: not removing hydrogen atom without neighbors
-223: .[08:09:41] WARNING: not removing hydrogen atom without neighbors
-223: .[08:09:41] WARNING: no name column found on line 1
-223: [08:09:41] WARNING: no name column found on line 2
-223: [08:09:41] WARNING: no name column found on line 3
-223: [08:09:41] WARNING: no name column found on line 4
-223: [08:09:41] WARNING: no name column found on line 5
-223: [08:09:41] WARNING: no name column found on line 6
-223: [08:09:41] WARNING: no name column found on line 7
-223: [08:09:41] WARNING: no name column found on line 8
-223: [08:09:41] WARNING: no name column found on line 9
-223: [08:09:41] WARNING: no name column found on line 10
-223: [08:09:41] WARNING: no name column found on line 11
-223: [08:09:41] WARNING: no name column found on line 12
-223: [08:09:41] WARNING: no name column found on line 13
-223: [08:09:41] WARNING: no name column found on line 14
-223: [08:09:41] WARNING: no name column found on line 15
-223: [08:09:41] WARNING: no name column found on line 16
-223: [08:09:41] WARNING: no name column found on line 17
-223: [08:09:41] WARNING: no name column found on line 18
-223: [08:09:41] WARNING: no name column found on line 19
-223: [08:09:41] WARNING: no name column found on line 20
-223: [08:09:41] WARNING: no name column found on line 21
-223: [08:09:41] WARNING: no name column found on line 22
-223: [08:09:41] WARNING: no name column found on line 23
-223: [08:09:41] WARNING: no name column found on line 24
-223: [08:09:41] WARNING: no name column found on line 25
-223: [08:09:41] WARNING: no name column found on line 26
-223: [08:09:41] WARNING: no name column found on line 27
-223: [08:09:41] WARNING: no name column found on line 28
-223: [08:09:41] WARNING: no name column found on line 29
-223: [08:09:41] WARNING: no name column found on line 30
-223: [08:09:41] WARNING: no name column found on line 31
-223: [08:09:41] WARNING: no name column found on line 32
-223: [08:09:41] WARNING: no name column found on line 33
-223: [08:09:41] WARNING: no name column found on line 34
-223: [08:09:41] WARNING: no name column found on line 35
-223: [08:09:41] WARNING: no name column found on line 36
-223: [08:09:41] WARNING: no name column found on line 37
-223: [08:09:41] WARNING: no name column found on line 38
-223: [08:09:41] WARNING: no name column found on line 39
-223: [08:09:41] WARNING: no name column found on line 40
-223: [08:09:41] WARNING: no name column found on line 41
-223: [08:09:41] WARNING: no name column found on line 42
-223: [08:09:41] WARNING: no name column found on line 43
-223: [08:09:41] WARNING: no name column found on line 44
-223: [08:09:41] WARNING: no name column found on line 45
-223: [08:09:41] WARNING: no name column found on line 46
-223: [08:09:41] WARNING: no name column found on line 47
-223: [08:09:41] WARNING: no name column found on line 48
-223: [08:09:41] WARNING: no name column found on line 49
-223: [08:09:41] WARNING: no name column found on line 50
-223: [08:09:41] WARNING: no name column found on line 51
-223: [08:09:41] WARNING: no name column found on line 52
-223: [08:09:41] WARNING: no name column found on line 53
-223: [08:09:41] WARNING: no name column found on line 54
-223: [08:09:41] WARNING: no name column found on line 55
-223: [08:09:41] WARNING: no name column found on line 56
-223: [08:09:41] WARNING: no name column found on line 57
-223: [08:09:41] WARNING: no name column found on line 58
-223: [08:09:41] WARNING: no name column found on line 59
-223: [08:09:41] WARNING: no name column found on line 60
-223: [08:09:41] WARNING: no name column found on line 61
-223: [08:09:41] WARNING: no name column found on line 62
-223: [08:09:41] WARNING: no name column found on line 63
-223: [08:09:41] WARNING: no name column found on line 64
-223: [08:09:41] WARNING: no name column found on line 65
-223: [08:09:41] WARNING: no name column found on line 66
-223: [08:09:41] WARNING: no name column found on line 67
-223: [08:09:41] WARNING: no name column found on line 68
-223: [08:09:41] WARNING: no name column found on line 69
-223: [08:09:41] WARNING: no name column found on line 70
-223: [08:09:41] WARNING: no name column found on line 71
-223: [08:09:41] WARNING: no name column found on line 72
-223: [08:09:41] WARNING: no name column found on line 73
-223: [08:09:41] WARNING: no name column found on line 74
-223: [08:09:41] WARNING: no name column found on line 75
-223: [08:09:41] WARNING: no name column found on line 76
-223: [08:09:41] WARNING: no name column found on line 77
-223: [08:09:41] WARNING: no name column found on line 78
-223: [08:09:41] WARNING: no name column found on line 79
-223: [08:09:41] WARNING: no name column found on line 80
-223: [08:09:41] WARNING: no name column found on line 81
-223: [08:09:41] WARNING: no name column found on line 82
-223: [08:09:41] WARNING: no name column found on line 83
-223: [08:09:41] WARNING: no name column found on line 84
-223: [08:09:41] WARNING: no name column found on line 85
-223: [08:09:41] WARNING: no name column found on line 86
-223: [08:09:41] WARNING: no name column found on line 87
-223: [08:09:41] WARNING: no name column found on line 88
-223: [08:09:41] WARNING: no name column found on line 89
-223: [08:09:41] WARNING: no name column found on line 90
-223: [08:09:41] WARNING: no name column found on line 91
-223: [08:09:41] WARNING: no name column found on line 92
-223: [08:09:41] WARNING: no name column found on line 93
-223: [08:09:41] WARNING: no name column found on line 94
-223: [08:09:41] WARNING: no name column found on line 95
-223: [08:09:41] WARNING: no name column found on line 96
-223: [08:09:41] WARNING: no name column found on line 97
-223: [08:09:41] WARNING: no name column found on line 98
-223: [08:09:41] WARNING: no name column found on line 99
-223: [08:09:41] WARNING: no name column found on line 100
-223: [08:09:41] WARNING: no name column found on line 101
-223: [08:09:41] WARNING: no name column found on line 102
-223: [08:09:41] WARNING: no name column found on line 103
-223: [08:09:41] WARNING: no name column found on line 104
-223: [08:09:41] WARNING: no name column found on line 105
-223: [08:09:41] WARNING: no name column found on line 106
-223: [08:09:41] WARNING: no name column found on line 107
-223: [08:09:41] WARNING: no name column found on line 108
-223: [08:09:41] WARNING: no name column found on line 109
-223: [08:09:41] WARNING: no name column found on line 110
-223: [08:09:41] WARNING: no name column found on line 111
-223: [08:09:41] WARNING: no name column found on line 112
-223: [08:09:41] WARNING: no name column found on line 113
-223: [08:09:41] WARNING: no name column found on line 114
-223: [08:09:41] WARNING: no name column found on line 115
-223: [08:09:41] WARNING: no name column found on line 116
-223: [08:09:41] WARNING: no name column found on line 117
-223: [08:09:41] WARNING: no name column found on line 118
-223: [08:09:41] WARNING: no name column found on line 119
-223: [08:09:41] WARNING: no name column found on line 120
-223: [08:09:41] WARNING: no name column found on line 121
-223: [08:09:41] WARNING: no name column found on line 122
-223: [08:09:41] WARNING: no name column found on line 123
-223: [08:09:41] WARNING: no name column found on line 124
-223: [08:09:41] WARNING: no name column found on line 125
-223: [08:09:41] WARNING: no name column found on line 126
-223: [08:09:41] WARNING: no name column found on line 127
-223: [08:09:41] WARNING: no name column found on line 128
-223: [08:09:41] WARNING: no name column found on line 129
-223: [08:09:41] WARNING: no name column found on line 130
-223: [08:09:41] WARNING: no name column found on line 131
-223: [08:09:41] WARNING: no name column found on line 132
-223: [08:09:41] WARNING: no name column found on line 133
-223: [08:09:41] WARNING: no name column found on line 134
-223: [08:09:41] WARNING: no name column found on line 135
-223: [08:09:41] WARNING: no name column found on line 136
-223: [08:09:41] WARNING: no name column found on line 137
-223: [08:09:41] WARNING: no name column found on line 138
-223: [08:09:41] WARNING: no name column found on line 139
-223: [08:09:41] WARNING: no name column found on line 140
-223: [08:09:41] WARNING: no name column found on line 141
-223: [08:09:41] WARNING: no name column found on line 142
-223: [08:09:41] WARNING: no name column found on line 143
-223: [08:09:41] WARNING: no name column found on line 144
-223: [08:09:41] WARNING: no name column found on line 145
-223: [08:09:41] WARNING: no name column found on line 146
-223: [08:09:41] WARNING: no name column found on line 147
-223: [08:09:41] WARNING: no name column found on line 148
-223: [08:09:41] WARNING: no name column found on line 149
-223: [08:09:41] WARNING: no name column found on line 150
-223: [08:09:41] WARNING: no name column found on line 151
-223: [08:09:41] WARNING: no name column found on line 152
-223: [08:09:41] WARNING: no name column found on line 153
-223: [08:09:41] WARNING: no name column found on line 154
-223: [08:09:41] WARNING: no name column found on line 155
-223: [08:09:41] WARNING: no name column found on line 156
-223: [08:09:41] WARNING: no name column found on line 157
-223: [08:09:41] WARNING: no name column found on line 158
-223: [08:09:41] WARNING: no name column found on line 159
-223: [08:09:41] WARNING: no name column found on line 160
-223: [08:09:41] WARNING: no name column found on line 161
-223: [08:09:41] WARNING: no name column found on line 162
-223: [08:09:41] WARNING: no name column found on line 163
-223: [08:09:41] WARNING: no name column found on line 164
-223: [08:09:41] WARNING: no name column found on line 165
-223: [08:09:41] WARNING: no name column found on line 166
-223: [08:09:41] WARNING: no name column found on line 167
-223: [08:09:41] WARNING: no name column found on line 168
-223: [08:09:41] WARNING: no name column found on line 169
-223: [08:09:41] WARNING: no name column found on line 170
-223: [08:09:41] WARNING: no name column found on line 171
-223: [08:09:41] WARNING: no name column found on line 172
-223: [08:09:41] WARNING: no name column found on line 173
-223: [08:09:41] WARNING: no name column found on line 174
-223: [08:09:41] WARNING: no name column found on line 175
-223: [08:09:41] WARNING: no name column found on line 176
-223: [08:09:41] WARNING: no name column found on line 177
-223: [08:09:41] WARNING: no name column found on line 178
-223: [08:09:41] WARNING: no name column found on line 179
-223: [08:09:41] WARNING: no name column found on line 180
-223: [08:09:41] WARNING: no name column found on line 181
-223: [08:09:41] WARNING: no name column found on line 182
-223: [08:09:41] WARNING: no name column found on line 183
-223: [08:09:41] WARNING: no name column found on line 184
-223: [08:09:41] WARNING: no name column found on line 185
-223: [08:09:41] WARNING: no name column found on line 186
-223: [08:09:41] WARNING: no name column found on line 187
-223: [08:09:41] WARNING: no name column found on line 188
-223: [08:09:41] WARNING: no name column found on line 189
-223: [08:09:41] WARNING: no name column found on line 190
-223: [08:09:41] WARNING: no name column found on line 191
-223: [08:09:41] WARNING: no name column found on line 192
-223: [08:09:41] WARNING: no name column found on line 193
-223: [08:09:41] WARNING: no name column found on line 194
-223: [08:09:41] WARNING: no name column found on line 195
-223: [08:09:41] WARNING: no name column found on line 196
-223: [08:09:41] WARNING: no name column found on line 197
-223: [08:09:41] WARNING: no name column found on line 198
-223: [08:09:41] WARNING: no name column found on line 199
-223: [08:09:41] WARNING: no name column found on line 200
-223: [08:09:41] WARNING: no name column found on line 201
-223: [08:09:41] WARNING: no name column found on line 202
-223: [08:09:41] WARNING: no name column found on line 203
-223: [08:09:41] WARNING: no name column found on line 204
-223: [08:09:41] WARNING: no name column found on line 205
-223: [08:09:41] WARNING: no name column found on line 206
-223: [08:09:41] WARNING: no name column found on line 207
-223: [08:09:41] WARNING: no name column found on line 208
-223: [08:09:41] WARNING: no name column found on line 209
-223: [08:09:41] WARNING: no name column found on line 210
-223: [08:09:41] WARNING: no name column found on line 211
-223: [08:09:41] WARNING: no name column found on line 212
-223: [08:09:41] WARNING: no name column found on line 213
-223: [08:09:41] WARNING: no name column found on line 214
-223: [08:09:41] WARNING: no name column found on line 215
-223: [08:09:41] WARNING: no name column found on line 216
+223: ..[04:51:23] WARNING: not removing hydrogen atom without neighbors
+223: .[04:51:23] WARNING: not removing hydrogen atom without neighbors
+223: .[04:51:23] WARNING: no name column found on line 1
+223: [04:51:23] WARNING: no name column found on line 2
+223: [04:51:23] WARNING: no name column found on line 3
+223: [04:51:23] WARNING: no name column found on line 4
+223: [04:51:23] WARNING: no name column found on line 5
+223: [04:51:23] WARNING: no name column found on line 6
+223: [04:51:23] WARNING: no name column found on line 7
+223: [04:51:23] WARNING: no name column found on line 8
+223: [04:51:23] WARNING: no name column found on line 9
+223: [04:51:23] WARNING: no name column found on line 10
+223: [04:51:23] WARNING: no name column found on line 11
+223: [04:51:23] WARNING: no name column found on line 12
+223: [04:51:23] WARNING: no name column found on line 13
+223: [04:51:23] WARNING: no name column found on line 14
+223: [04:51:23] WARNING: no name column found on line 15
+223: [04:51:23] WARNING: no name column found on line 16
+223: [04:51:23] WARNING: no name column found on line 17
+223: [04:51:23] WARNING: no name column found on line 18
+223: [04:51:23] WARNING: no name column found on line 19
+223: [04:51:23] WARNING: no name column found on line 20
+223: [04:51:23] WARNING: no name column found on line 21
+223: [04:51:23] WARNING: no name column found on line 22
+223: [04:51:23] WARNING: no name column found on line 23
+223: [04:51:23] WARNING: no name column found on line 24
+223: [04:51:23] WARNING: no name column found on line 25
+223: [04:51:23] WARNING: no name column found on line 26
+223: [04:51:23] WARNING: no name column found on line 27
+223: [04:51:23] WARNING: no name column found on line 28
+223: [04:51:23] WARNING: no name column found on line 29
+223: [04:51:23] WARNING: no name column found on line 30
+223: [04:51:23] WARNING: no name column found on line 31
+223: [04:51:23] WARNING: no name column found on line 32
+223: [04:51:23] WARNING: no name column found on line 33
+223: [04:51:23] WARNING: no name column found on line 34
+223: [04:51:23] WARNING: no name column found on line 35
+223: [04:51:23] WARNING: no name column found on line 36
+223: [04:51:23] WARNING: no name column found on line 37
+223: [04:51:23] WARNING: no name column found on line 38
+223: [04:51:23] WARNING: no name column found on line 39
+223: [04:51:23] WARNING: no name column found on line 40
+223: [04:51:23] WARNING: no name column found on line 41
+223: [04:51:23] WARNING: no name column found on line 42
+223: [04:51:23] WARNING: no name column found on line 43
+223: [04:51:23] WARNING: no name column found on line 44
+223: [04:51:23] WARNING: no name column found on line 45
+223: [04:51:23] WARNING: no name column found on line 46
+223: [04:51:23] WARNING: no name column found on line 47
+223: [04:51:23] WARNING: no name column found on line 48
+223: [04:51:23] WARNING: no name column found on line 49
+223: [04:51:23] WARNING: no name column found on line 50
+223: [04:51:23] WARNING: no name column found on line 51
+223: [04:51:23] WARNING: no name column found on line 52
+223: [04:51:23] WARNING: no name column found on line 53
+223: [04:51:23] WARNING: no name column found on line 54
+223: [04:51:23] WARNING: no name column found on line 55
+223: [04:51:23] WARNING: no name column found on line 56
+223: [04:51:23] WARNING: no name column found on line 57
+223: [04:51:23] WARNING: no name column found on line 58
+223: [04:51:23] WARNING: no name column found on line 59
+223: [04:51:23] WARNING: no name column found on line 60
+223: [04:51:23] WARNING: no name column found on line 61
+223: [04:51:23] WARNING: no name column found on line 62
+223: [04:51:23] WARNING: no name column found on line 63
+223: [04:51:23] WARNING: no name column found on line 64
+223: [04:51:23] WARNING: no name column found on line 65
+223: [04:51:23] WARNING: no name column found on line 66
+223: [04:51:23] WARNING: no name column found on line 67
+223: [04:51:23] WARNING: no name column found on line 68
+223: [04:51:23] WARNING: no name column found on line 69
+223: [04:51:23] WARNING: no name column found on line 70
+223: [04:51:23] WARNING: no name column found on line 71
+223: [04:51:23] WARNING: no name column found on line 72
+223: [04:51:23] WARNING: no name column found on line 73
+223: [04:51:23] WARNING: no name column found on line 74
+223: [04:51:23] WARNING: no name column found on line 75
+223: [04:51:23] WARNING: no name column found on line 76
+223: [04:51:23] WARNING: no name column found on line 77
+223: [04:51:23] WARNING: no name column found on line 78
+223: [04:51:23] WARNING: no name column found on line 79
+223: [04:51:23] WARNING: no name column found on line 80
+223: [04:51:23] WARNING: no name column found on line 81
+223: [04:51:23] WARNING: no name column found on line 82
+223: [04:51:23] WARNING: no name column found on line 83
+223: [04:51:23] WARNING: no name column found on line 84
+223: [04:51:23] WARNING: no name column found on line 85
+223: [04:51:23] WARNING: no name column found on line 86
+223: [04:51:23] WARNING: no name column found on line 87
+223: [04:51:23] WARNING: no name column found on line 88
+223: [04:51:23] WARNING: no name column found on line 89
+223: [04:51:23] WARNING: no name column found on line 90
+223: [04:51:23] WARNING: no name column found on line 91
+223: [04:51:23] WARNING: no name column found on line 92
+223: [04:51:23] WARNING: no name column found on line 93
+223: [04:51:23] WARNING: no name column found on line 94
+223: [04:51:23] WARNING: no name column found on line 95
+223: [04:51:23] WARNING: no name column found on line 96
+223: [04:51:23] WARNING: no name column found on line 97
+223: [04:51:23] WARNING: no name column found on line 98
+223: [04:51:23] WARNING: no name column found on line 99
+223: [04:51:23] WARNING: no name column found on line 100
+223: [04:51:23] WARNING: no name column found on line 101
+223: [04:51:23] WARNING: no name column found on line 102
+223: [04:51:23] WARNING: no name column found on line 103
+223: [04:51:23] WARNING: no name column found on line 104
+223: [04:51:23] WARNING: no name column found on line 105
+223: [04:51:23] WARNING: no name column found on line 106
+223: [04:51:23] WARNING: no name column found on line 107
+223: [04:51:23] WARNING: no name column found on line 108
+223: [04:51:23] WARNING: no name column found on line 109
+223: [04:51:23] WARNING: no name column found on line 110
+223: [04:51:23] WARNING: no name column found on line 111
+223: [04:51:23] WARNING: no name column found on line 112
+223: [04:51:23] WARNING: no name column found on line 113
+223: [04:51:23] WARNING: no name column found on line 114
+223: [04:51:23] WARNING: no name column found on line 115
+223: [04:51:23] WARNING: no name column found on line 116
+223: [04:51:23] WARNING: no name column found on line 117
+223: [04:51:23] WARNING: no name column found on line 118
+223: [04:51:23] WARNING: no name column found on line 119
+223: [04:51:23] WARNING: no name column found on line 120
+223: [04:51:23] WARNING: no name column found on line 121
+223: [04:51:23] WARNING: no name column found on line 122
+223: [04:51:23] WARNING: no name column found on line 123
+223: [04:51:23] WARNING: no name column found on line 124
+223: [04:51:23] WARNING: no name column found on line 125
+223: [04:51:23] WARNING: no name column found on line 126
+223: [04:51:23] WARNING: no name column found on line 127
+223: [04:51:23] WARNING: no name column found on line 128
+223: [04:51:23] WARNING: no name column found on line 129
+223: [04:51:23] WARNING: no name column found on line 130
+223: [04:51:23] WARNING: no name column found on line 131
+223: [04:51:23] WARNING: no name column found on line 132
+223: [04:51:23] WARNING: no name column found on line 133
+223: [04:51:23] WARNING: no name column found on line 134
+223: [04:51:23] WARNING: no name column found on line 135
+223: [04:51:23] WARNING: no name column found on line 136
+223: [04:51:23] WARNING: no name column found on line 137
+223: [04:51:23] WARNING: no name column found on line 138
+223: [04:51:23] WARNING: no name column found on line 139
+223: [04:51:23] WARNING: no name column found on line 140
+223: [04:51:23] WARNING: no name column found on line 141
+223: [04:51:23] WARNING: no name column found on line 142
+223: [04:51:23] WARNING: no name column found on line 143
+223: [04:51:23] WARNING: no name column found on line 144
+223: [04:51:23] WARNING: no name column found on line 145
+223: [04:51:23] WARNING: no name column found on line 146
+223: [04:51:23] WARNING: no name column found on line 147
+223: [04:51:23] WARNING: no name column found on line 148
+223: [04:51:23] WARNING: no name column found on line 149
+223: [04:51:23] WARNING: no name column found on line 150
+223: [04:51:23] WARNING: no name column found on line 151
+223: [04:51:23] WARNING: no name column found on line 152
+223: [04:51:23] WARNING: no name column found on line 153
+223: [04:51:23] WARNING: no name column found on line 154
+223: [04:51:23] WARNING: no name column found on line 155
+223: [04:51:23] WARNING: no name column found on line 156
+223: [04:51:23] WARNING: no name column found on line 157
+223: [04:51:23] WARNING: no name column found on line 158
+223: [04:51:23] WARNING: no name column found on line 159
+223: [04:51:23] WARNING: no name column found on line 160
+223: [04:51:23] WARNING: no name column found on line 161
+223: [04:51:23] WARNING: no name column found on line 162
+223: [04:51:23] WARNING: no name column found on line 163
+223: [04:51:23] WARNING: no name column found on line 164
+223: [04:51:23] WARNING: no name column found on line 165
+223: [04:51:23] WARNING: no name column found on line 166
+223: [04:51:23] WARNING: no name column found on line 167
+223: [04:51:23] WARNING: no name column found on line 168
+223: [04:51:23] WARNING: no name column found on line 169
+223: [04:51:23] WARNING: no name column found on line 170
+223: [04:51:23] WARNING: no name column found on line 171
+223: [04:51:23] WARNING: no name column found on line 172
+223: [04:51:23] WARNING: no name column found on line 173
+223: [04:51:23] WARNING: no name column found on line 174
+223: [04:51:23] WARNING: no name column found on line 175
+223: [04:51:23] WARNING: no name column found on line 176
+223: [04:51:23] WARNING: no name column found on line 177
+223: [04:51:23] WARNING: no name column found on line 178
+223: [04:51:23] WARNING: no name column found on line 179
+223: [04:51:23] WARNING: no name column found on line 180
+223: [04:51:23] WARNING: no name column found on line 181
+223: [04:51:23] WARNING: no name column found on line 182
+223: [04:51:23] WARNING: no name column found on line 183
+223: [04:51:23] WARNING: no name column found on line 184
+223: [04:51:23] WARNING: no name column found on line 185
+223: [04:51:23] WARNING: no name column found on line 186
+223: [04:51:23] WARNING: no name column found on line 187
+223: [04:51:23] WARNING: no name column found on line 188
+223: [04:51:23] WARNING: no name column found on line 189
+223: [04:51:23] WARNING: no name column found on line 190
+223: [04:51:23] WARNING: no name column found on line 191
+223: [04:51:23] WARNING: no name column found on line 192
+223: [04:51:23] WARNING: no name column found on line 193
+223: [04:51:23] WARNING: no name column found on line 194
+223: [04:51:23] WARNING: no name column found on line 195
+223: [04:51:23] WARNING: no name column found on line 196
+223: [04:51:23] WARNING: no name column found on line 197
+223: [04:51:23] WARNING: no name column found on line 198
+223: [04:51:23] WARNING: no name column found on line 199
+223: [04:51:23] WARNING: no name column found on line 200
+223: [04:51:23] WARNING: no name column found on line 201
+223: [04:51:23] WARNING: no name column found on line 202
+223: [04:51:23] WARNING: no name column found on line 203
+223: [04:51:23] WARNING: no name column found on line 204
+223: [04:51:23] WARNING: no name column found on line 205
+223: [04:51:23] WARNING: no name column found on line 206
+223: [04:51:23] WARNING: no name column found on line 207
+223: [04:51:23] WARNING: no name column found on line 208
+223: [04:51:23] WARNING: no name column found on line 209
+223: [04:51:23] WARNING: no name column found on line 210
+223: [04:51:23] WARNING: no name column found on line 211
+223: [04:51:23] WARNING: no name column found on line 212
+223: [04:51:23] WARNING: no name column found on line 213
+223: [04:51:23] WARNING: no name column found on line 214
+223: [04:51:23] WARNING: no name column found on line 215
+223: [04:51:23] WARNING: no name column found on line 216
 223: ......
 223: ----------------------------------------------------------------------
-223: Ran 10 tests in 0.081s
+223: Ran 10 tests in 0.149s
 223: 
 223: OK
 223: ..................
 223: ----------------------------------------------------------------------
-223: Ran 18 tests in 0.493s
+223: Ran 18 tests in 2.000s
 223: 
 223: OK
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.052s
+223: Ran 3 tests in 0.224s
 223: 
 223: OK
 223: ........
 223: ----------------------------------------------------------------------
-223: Ran 8 tests in 0.019s
+223: Ran 8 tests in 0.072s
 223: 
 223: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.014s
+223: Ran 2 tests in 0.046s
 223: 
 223: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.009s
+223: Ran 2 tests in 0.024s
 223: 
 223: OK
 223: .
 223: ----------------------------------------------------------------------
-223: Ran 1 test in 0.043s
+223: Ran 1 test in 0.115s
 223: 
 223: OK
 223: ........
@@ -28342,37 +28377,37 @@
 223: OK
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.003s
+223: Ran 3 tests in 0.008s
 223: 
 223: OK
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.001s
+223: Ran 3 tests in 0.005s
 223: 
 223: OK
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.002s
+223: Ran 4 tests in 0.006s
 223: 
 223: OK
 223: .......
 223: ----------------------------------------------------------------------
-223: Ran 7 tests in 0.009s
+223: Ran 7 tests in 0.034s
 223: 
 223: OK
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.011s
+223: Ran 4 tests in 0.032s
 223: 
 223: OK
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 1.381s
+223: Ran 4 tests in 3.802s
 223: 
 223: OK
 223: ..........
 223: ----------------------------------------------------------------------
-223: Ran 10 tests in 0.030s
+223: Ran 10 tests in 0.034s
 223: 
 223: OK
 223: .
@@ -28387,18 +28422,18 @@
 223: OK
 223: .....
 223: ----------------------------------------------------------------------
-223: Ran 5 tests in 0.039s
+223: Ran 5 tests in 0.050s
 223: 
 223: OK
-223: .........[08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: [08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: [08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: [08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-223: .......[08:09:53] Molecule does not have explicit Hs. Consider calling AddHs()
-223: [08:09:53] Molecule does not have explicit Hs. Consider calling AddHs()
+223: .........[04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: [04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: [04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: [04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+223: .......[04:51:55] Molecule does not have explicit Hs. Consider calling AddHs()
+223: [04:51:55] Molecule does not have explicit Hs. Consider calling AddHs()
 223: .....
 223: ----------------------------------------------------------------------
-223: Ran 21 tests in 3.235s
+223: Ran 21 tests in 9.553s
 223: 
 223: OK
 223: mol_197
@@ -28412,7 +28447,7 @@
 223: Ran 1 test in 0.000s
 223: 
 223: OK
-223: ...[08:09:53] 
+223: ...[04:51:57] 
 223: 
 223: ****
 223: Pre-condition Violation
@@ -28423,63 +28458,63 @@
 223: 
 223: .
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.013s
+223: Ran 4 tests in 0.054s
 223: 
 223: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 3.862s
+223: Ran 2 tests in 10.827s
 223: 
 223: OK
 223: ..
 223: ----------------------------------------------------------------------
-223: Ran 2 tests in 0.051s
+223: Ran 2 tests in 0.133s
 223: 
 223: OK
 223: ...
 223: ----------------------------------------------------------------------
-223: Ran 3 tests in 0.007s
+223: Ran 3 tests in 0.016s
 223: 
 223: OK
 223: ....
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.012s
+223: Ran 4 tests in 0.013s
 223: 
 223: OK
-223: .....[08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
-223: [08:09:59] WARNING: not removing hydrogen atom without neighbors
+223: .....[04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
+223: [04:52:12] WARNING: not removing hydrogen atom without neighbors
 223: .....
 223: ----------------------------------------------------------------------
-223: Ran 10 tests in 0.178s
+223: Ran 10 tests in 0.467s
 223: 
 223: OK
 223: ssssss..........s/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/Draw/__init__.py:237: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually
 223:   warnings.warn(
 223: .....
 223: ----------------------------------------------------------------------
-223: Ran 22 tests in 3.025s
+223: Ran 22 tests in 3.535s
 223: 
 223: OK (skipped=7)
 223: sss.
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.260s
+223: Ran 4 tests in 0.526s
 223: 
 223: OK (skipped=3)
 223: ssss
@@ -28489,23 +28524,23 @@
 223: OK (skipped=4)
 223: ..........
 223: ----------------------------------------------------------------------
-223: Ran 10 tests in 0.440s
+223: Ran 10 tests in 0.439s
 223: 
 223: OK
-223: ...[08:10:05] SMARTS Parse Error: syntax error while parsing: boromicacid
-223: [08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-223: [08:10:05] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-223: [08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-223: [08:10:05] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-223: [08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-223: [08:10:05] reaction has no reactants
-223: [08:10:05] reaction has no products
-223: [08:10:05] initialization failed
-223: [08:10:05] reaction has no reactants
-223: [08:10:05] reaction has no products
+223: ...[04:52:20] SMARTS Parse Error: syntax error while parsing: boromicacid
+223: [04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+223: [04:52:20] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+223: [04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+223: [04:52:20] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+223: [04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+223: [04:52:20] reaction has no reactants
+223: [04:52:20] reaction has no products
+223: [04:52:20] initialization failed
+223: [04:52:20] reaction has no reactants
+223: [04:52:20] reaction has no products
 223: .
 223: ----------------------------------------------------------------------
-223: Ran 4 tests in 0.021s
+223: Ran 4 tests in 0.020s
 223: 
 223: OK
 223: ['C[C@@H](F)CN', 'C[C@@H](F)CN |a:1|', 'C[C@H](F)CN |o1:1|', 'C[C@H](F)CN |&1:1|']
@@ -28522,18 +28557,18 @@
 223: !!! TEST FAILURE:  python UnitTestDescriptors.py {}
 223: !!! TEST FAILURE:  python UnitTestInchi.py {}
 223: !!! TEST FAILURE:  python UnitTestPandasTools.py {}
-222/223 Test #223: pythonTestDirChem ......................***Failed   82.35 sec
+222/223 Test #223: pythonTestDirChem ......................***Failed  173.73 sec
 .......
 ----------------------------------------------------------------------
-Ran 7 tests in 0.119s
+Ran 7 tests in 0.144s
 
 OK
 ......
 ----------------------------------------------------------------------
-Ran 6 tests in 0.022s
+Ran 6 tests in 0.055s
 
 OK
-....[08:08:45] 
+....[04:49:29] 
 
 ****
 Pre-condition Violation
@@ -28544,7 +28579,7 @@
 
 .
 ----------------------------------------------------------------------
-Ran 5 tests in 0.010s
+Ran 5 tests in 0.026s
 
 OK
 ....
@@ -28554,81 +28589,81 @@
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.007s
+Ran 2 tests in 0.019s
 
 OK
 ......................
 ----------------------------------------------------------------------
-Ran 22 tests in 0.025s
+Ran 22 tests in 0.020s
 
 OK
 .....s.................ss
 ----------------------------------------------------------------------
-Ran 25 tests in 0.075s
+Ran 25 tests in 0.084s
 
 OK (skipped=3)
 ..s
 ----------------------------------------------------------------------
-Ran 3 tests in 0.088s
+Ran 3 tests in 0.193s
 
 OK (skipped=1)
 ...................................
 ----------------------------------------------------------------------
-Ran 35 tests in 1.099s
+Ran 35 tests in 1.057s
 
 OK
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 0.027s
+Ran 4 tests in 0.025s
 
 OK
 .
 ----------------------------------------------------------------------
-Ran 1 test in 0.006s
+Ran 1 test in 0.015s
 
 OK
 .......
 ----------------------------------------------------------------------
-Ran 7 tests in 0.022s
+Ran 7 tests in 0.052s
 
 OK
 ...
 ----------------------------------------------------------------------
-Ran 3 tests in 0.029s
+Ran 3 tests in 0.030s
 
 OK
 .ss.ss.......
 ----------------------------------------------------------------------
-Ran 13 tests in 0.626s
+Ran 13 tests in 1.124s
 
 OK (skipped=4)
-[08:08:51] Molecule does not have explicit Hs. Consider calling AddHs()
-.[08:08:51] Molecule does not have explicit Hs. Consider calling AddHs()
-....................[08:09:16] WARNING: More than one matching pattern found - picking one
+[04:49:38] Molecule does not have explicit Hs. Consider calling AddHs()
+.[04:49:38] Molecule does not have explicit Hs. Consider calling AddHs()
+....................[04:50:17] WARNING: More than one matching pattern found - picking one
 
-[08:09:16] WARNING: More than one matching pattern found - picking one
+[04:50:17] WARNING: More than one matching pattern found - picking one
 
-.[08:09:16] WARNING: More than one matching pattern found - picking one
+.[04:50:17] WARNING: More than one matching pattern found - picking one
 
 ...
 ----------------------------------------------------------------------
-Ran 25 tests in 26.133s
+Ran 25 tests in 43.963s
 
 OK
-{'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl'}
-{'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl'}
-{'F[C@H](Cl)[C@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl'}
+{'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl'}
+{'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl'}
+{'F[C@H](Cl)[C@@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl'}
 !!!! ['C[C@H]([C@H](C)Br)[C@@H](C)F', 'C[C@@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)Br)[C@@H](C)F', 'C[C@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)F)[C@H](C)Br', 'C[C@@H]([C@H](C)F)[C@@H](C)Br', 'C[C@H]([C@H](C)F)[C@H](C)Br', 'C[C@H]([C@H](C)F)[C@@H](C)Br']
 ........
 ----------------------------------------------------------------------
-Ran 8 tests in 0.063s
+Ran 8 tests in 0.231s
 
 OK
-.[08:09:18] Molecule does not have explicit Hs. Consider calling AddHs()
-F....[08:09:20] WARNING: not removing hydrogen atom without neighbors
-[08:09:20] WARNING: not removing hydrogen atom without neighbors
-[08:09:20] WARNING: not removing hydrogen atom without neighbors
-....[08:09:20] WARNING: not removing hydrogen atom without neighbors
+.[04:50:24] Molecule does not have explicit Hs. Consider calling AddHs()
+F....[04:50:29] WARNING: not removing hydrogen atom without neighbors
+[04:50:29] WARNING: not removing hydrogen atom without neighbors
+[04:50:29] WARNING: not removing hydrogen atom without neighbors
+....[04:50:29] WARNING: not removing hydrogen atom without neighbors
 ......
 ======================================================================
 FAIL: testGet3DMolDescriptors (__main__.TestCase.testGet3DMolDescriptors)
@@ -28639,16 +28674,16 @@
 AssertionError: 20.954531335493083 != 20.954531335493417
 
 ----------------------------------------------------------------------
-Ran 16 tests in 1.939s
+Ran 16 tests in 5.185s
 
 FAILED (failures=1)
-[08:09:20] WARNING: Omitted undefined stereo
+[04:50:29] WARNING: Omitted undefined stereo
 
-[08:09:20] WARNING: Proton(s) added/removed
+[04:50:29] WARNING: Proton(s) added/removed
 
-..[08:09:22] ERROR: Add/Remove protons error; *Conversion failed*
+..[04:50:33] ERROR: Add/Remove protons error; *Conversion failed*
 
-[08:09:22] ERROR: Add/Remove protons error; *Conversion failed*
+[04:50:33] ERROR: Add/Remove protons error; *Conversion failed*
 
 E....
 ======================================================================
@@ -28661,19 +28696,19 @@
 AttributeError: 'NoneType' object has no attribute 'GetAtoms'
 
 ----------------------------------------------------------------------
-Ran 7 tests in 1.452s
+Ran 7 tests in 3.744s
 
 FAILED (errors=1)
 
 InChI write Summary: 1160 identical, 0 suffix variance, 21 reasonable
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 0.707s
+Ran 4 tests in 1.422s
 
 OK
 ......
 ----------------------------------------------------------------------
-Ran 6 tests in 0.174s
+Ran 6 tests in 0.321s
 
 OK
 /build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py:218: SyntaxWarning: invalid escape sequence '\O'
@@ -28726,7 +28761,7 @@
 Traceback (most recent call last):
   File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py", line 229, in testPandasShouldShowMoleculesWhenTruncating
     self.assertIn('data-content="rdkit/molecule"', html_output)
-AssertionError: 'data-content="rdkit/molecule"' not found in '<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>Molecule ChEMBL ID</th>\n      <th>Molecule Name</th>\n      <th>Molecule Max Phase</th>\n      <th>Molecular Weight</th>\n      <th>#RO5 Violations</th>\n      <th>...</th>\n      <th>Source Description</th>\n      <th>Document Journal</th>\n      <th>Document Year</th>\n      <th>Cell ChEMBL ID</th>\n      <th>ROMol</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>"CHEMBL543779"</td>\n      <td>NaN</td>\n      <td>0</td>\n      <td>341.86</td>\n      <td>0</td>\n      <td>...</td>\n      <td>Scientific Literature</td>\n      <td>J. Med. Chem.</td>\n      <td>1986</td>\n      <td>NaN</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff8149b060&gt;</td>\n    </tr>\n  </tbody>\n</table>\n</div>'
+AssertionError: 'data-content="rdkit/molecule"' not found in '<div>\n<style scoped>\n    .dataframe tbody tr th:only-of-type {\n        vertical-align: middle;\n    }\n\n    .dataframe tbody tr th {\n        vertical-align: top;\n    }\n\n    .dataframe thead th {\n        text-align: right;\n    }\n</style>\n<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>Molecule ChEMBL ID</th>\n      <th>Molecule Name</th>\n      <th>Molecule Max Phase</th>\n      <th>Molecular Weight</th>\n      <th>#RO5 Violations</th>\n      <th>...</th>\n      <th>Source Description</th>\n      <th>Document Journal</th>\n      <th>Document Year</th>\n      <th>Cell ChEMBL ID</th>\n      <th>ROMol</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>"CHEMBL543779"</td>\n      <td>NaN</td>\n      <td>0</td>\n      <td>341.86</td>\n      <td>0</td>\n      <td>...</td>\n      <td>Scientific Literature</td>\n      <td>J. Med. Chem.</td>\n      <td>1986</td>\n      <td>NaN</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffae24f060&gt;</td>\n    </tr>\n  </tbody>\n</table>\n</div>'
 
 ======================================================================
 FAIL: test_RestoreMonkeyPatch (__main__.TestPandasTools.test_RestoreMonkeyPatch)
@@ -28734,296 +28769,296 @@
 Traceback (most recent call last):
   File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestPandasTools.py", line 64, in test_RestoreMonkeyPatch
     self.assertIn('data:image/png;base64', html)
-AssertionError: 'data:image/png;base64' not found in '<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>prop1</th>\n      <th>prop2</th>\n      <th>ID</th>\n      <th>ROMol</th>\n      <th>prop3</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>12.34</td>\n      <td>qwe</td>\n      <td>Methane</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff814999a0&gt;</td>\n      <td>NaN</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>NaN</td>\n      <td>rtz</td>\n      <td>Peroxide</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffff809422d0&gt;</td>\n      <td>yxcv</td>\n    </tr>\n  </tbody>\n</table>'
+AssertionError: 'data:image/png;base64' not found in '<table border="1" class="dataframe">\n  <thead>\n    <tr style="text-align: right;">\n      <th></th>\n      <th>prop1</th>\n      <th>prop2</th>\n      <th>ID</th>\n      <th>ROMol</th>\n      <th>prop3</th>\n    </tr>\n  </thead>\n  <tbody>\n    <tr>\n      <th>0</th>\n      <td>12.34</td>\n      <td>qwe</td>\n      <td>Methane</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffae24d9a0&gt;</td>\n      <td>NaN</td>\n    </tr>\n    <tr>\n      <th>1</th>\n      <td>NaN</td>\n      <td>rtz</td>\n      <td>Peroxide</td>\n      <td>&lt;rdkit.Chem.rdchem.Mol object at 0xffffad6f22d0&gt;</td>\n      <td>yxcv</td>\n    </tr>\n  </tbody>\n</table>'
 
 ----------------------------------------------------------------------
-Ran 28 tests in 0.632s
+Ran 28 tests in 2.361s
 
 FAILED (failures=2, skipped=2)
-..............[08:09:30] WARNING: More than one matching pattern found - picking one
+..............[04:50:51] WARNING: More than one matching pattern found - picking one
 
-[08:09:30] WARNING: More than one matching pattern found - picking one
+[04:50:51] WARNING: More than one matching pattern found - picking one
 
-..[08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-[08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-[08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
-[08:09:30] Molecule does not have explicit Hs. Consider calling AddHs()
+..[04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+[04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+[04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
+[04:50:51] Molecule does not have explicit Hs. Consider calling AddHs()
 .........
 ----------------------------------------------------------------------
-Ran 25 tests in 5.107s
+Ran 25 tests in 10.746s
 
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.027s
+Ran 2 tests in 0.111s
 
 OK
 ..s...
 ----------------------------------------------------------------------
-Ran 6 tests in 0.591s
+Ran 6 tests in 2.025s
 
 OK (skipped=1)
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.012s
+Ran 2 tests in 0.035s
 
 OK
 ..............
 ----------------------------------------------------------------------
-Ran 14 tests in 2.652s
+Ran 14 tests in 8.707s
 
 OK
-..[08:09:40] WARNING: not removing hydrogen atom without neighbors
-.[08:09:41] WARNING: not removing hydrogen atom without neighbors
-.[08:09:41] WARNING: no name column found on line 1
-[08:09:41] WARNING: no name column found on line 2
-[08:09:41] WARNING: no name column found on line 3
-[08:09:41] WARNING: no name column found on line 4
-[08:09:41] WARNING: no name column found on line 5
-[08:09:41] WARNING: no name column found on line 6
-[08:09:41] WARNING: no name column found on line 7
-[08:09:41] WARNING: no name column found on line 8
-[08:09:41] WARNING: no name column found on line 9
-[08:09:41] WARNING: no name column found on line 10
-[08:09:41] WARNING: no name column found on line 11
-[08:09:41] WARNING: no name column found on line 12
-[08:09:41] WARNING: no name column found on line 13
-[08:09:41] WARNING: no name column found on line 14
-[08:09:41] WARNING: no name column found on line 15
-[08:09:41] WARNING: no name column found on line 16
-[08:09:41] WARNING: no name column found on line 17
-[08:09:41] WARNING: no name column found on line 18
-[08:09:41] WARNING: no name column found on line 19
-[08:09:41] WARNING: no name column found on line 20
-[08:09:41] WARNING: no name column found on line 21
-[08:09:41] WARNING: no name column found on line 22
-[08:09:41] WARNING: no name column found on line 23
-[08:09:41] WARNING: no name column found on line 24
-[08:09:41] WARNING: no name column found on line 25
-[08:09:41] WARNING: no name column found on line 26
-[08:09:41] WARNING: no name column found on line 27
-[08:09:41] WARNING: no name column found on line 28
-[08:09:41] WARNING: no name column found on line 29
-[08:09:41] WARNING: no name column found on line 30
-[08:09:41] WARNING: no name column found on line 31
-[08:09:41] WARNING: no name column found on line 32
-[08:09:41] WARNING: no name column found on line 33
-[08:09:41] WARNING: no name column found on line 34
-[08:09:41] WARNING: no name column found on line 35
-[08:09:41] WARNING: no name column found on line 36
-[08:09:41] WARNING: no name column found on line 37
-[08:09:41] WARNING: no name column found on line 38
-[08:09:41] WARNING: no name column found on line 39
-[08:09:41] WARNING: no name column found on line 40
-[08:09:41] WARNING: no name column found on line 41
-[08:09:41] WARNING: no name column found on line 42
-[08:09:41] WARNING: no name column found on line 43
-[08:09:41] WARNING: no name column found on line 44
-[08:09:41] WARNING: no name column found on line 45
-[08:09:41] WARNING: no name column found on line 46
-[08:09:41] WARNING: no name column found on line 47
-[08:09:41] WARNING: no name column found on line 48
-[08:09:41] WARNING: no name column found on line 49
-[08:09:41] WARNING: no name column found on line 50
-[08:09:41] WARNING: no name column found on line 51
-[08:09:41] WARNING: no name column found on line 52
-[08:09:41] WARNING: no name column found on line 53
-[08:09:41] WARNING: no name column found on line 54
-[08:09:41] WARNING: no name column found on line 55
-[08:09:41] WARNING: no name column found on line 56
-[08:09:41] WARNING: no name column found on line 57
-[08:09:41] WARNING: no name column found on line 58
-[08:09:41] WARNING: no name column found on line 59
-[08:09:41] WARNING: no name column found on line 60
-[08:09:41] WARNING: no name column found on line 61
-[08:09:41] WARNING: no name column found on line 62
-[08:09:41] WARNING: no name column found on line 63
-[08:09:41] WARNING: no name column found on line 64
-[08:09:41] WARNING: no name column found on line 65
-[08:09:41] WARNING: no name column found on line 66
-[08:09:41] WARNING: no name column found on line 67
-[08:09:41] WARNING: no name column found on line 68
-[08:09:41] WARNING: no name column found on line 69
-[08:09:41] WARNING: no name column found on line 70
-[08:09:41] WARNING: no name column found on line 71
-[08:09:41] WARNING: no name column found on line 72
-[08:09:41] WARNING: no name column found on line 73
-[08:09:41] WARNING: no name column found on line 74
-[08:09:41] WARNING: no name column found on line 75
-[08:09:41] WARNING: no name column found on line 76
-[08:09:41] WARNING: no name column found on line 77
-[08:09:41] WARNING: no name column found on line 78
-[08:09:41] WARNING: no name column found on line 79
-[08:09:41] WARNING: no name column found on line 80
-[08:09:41] WARNING: no name column found on line 81
-[08:09:41] WARNING: no name column found on line 82
-[08:09:41] WARNING: no name column found on line 83
-[08:09:41] WARNING: no name column found on line 84
-[08:09:41] WARNING: no name column found on line 85
-[08:09:41] WARNING: no name column found on line 86
-[08:09:41] WARNING: no name column found on line 87
-[08:09:41] WARNING: no name column found on line 88
-[08:09:41] WARNING: no name column found on line 89
-[08:09:41] WARNING: no name column found on line 90
-[08:09:41] WARNING: no name column found on line 91
-[08:09:41] WARNING: no name column found on line 92
-[08:09:41] WARNING: no name column found on line 93
-[08:09:41] WARNING: no name column found on line 94
-[08:09:41] WARNING: no name column found on line 95
-[08:09:41] WARNING: no name column found on line 96
-[08:09:41] WARNING: no name column found on line 97
-[08:09:41] WARNING: no name column found on line 98
-[08:09:41] WARNING: no name column found on line 99
-[08:09:41] WARNING: no name column found on line 100
-[08:09:41] WARNING: no name column found on line 101
-[08:09:41] WARNING: no name column found on line 102
-[08:09:41] WARNING: no name column found on line 103
-[08:09:41] WARNING: no name column found on line 104
-[08:09:41] WARNING: no name column found on line 105
-[08:09:41] WARNING: no name column found on line 106
-[08:09:41] WARNING: no name column found on line 107
-[08:09:41] WARNING: no name column found on line 108
-[08:09:41] WARNING: no name column found on line 109
-[08:09:41] WARNING: no name column found on line 110
-[08:09:41] WARNING: no name column found on line 111
-[08:09:41] WARNING: no name column found on line 112
-[08:09:41] WARNING: no name column found on line 113
-[08:09:41] WARNING: no name column found on line 114
-[08:09:41] WARNING: no name column found on line 115
-[08:09:41] WARNING: no name column found on line 116
-[08:09:41] WARNING: no name column found on line 117
-[08:09:41] WARNING: no name column found on line 118
-[08:09:41] WARNING: no name column found on line 119
-[08:09:41] WARNING: no name column found on line 120
-[08:09:41] WARNING: no name column found on line 121
-[08:09:41] WARNING: no name column found on line 122
-[08:09:41] WARNING: no name column found on line 123
-[08:09:41] WARNING: no name column found on line 124
-[08:09:41] WARNING: no name column found on line 125
-[08:09:41] WARNING: no name column found on line 126
-[08:09:41] WARNING: no name column found on line 127
-[08:09:41] WARNING: no name column found on line 128
-[08:09:41] WARNING: no name column found on line 129
-[08:09:41] WARNING: no name column found on line 130
-[08:09:41] WARNING: no name column found on line 131
-[08:09:41] WARNING: no name column found on line 132
-[08:09:41] WARNING: no name column found on line 133
-[08:09:41] WARNING: no name column found on line 134
-[08:09:41] WARNING: no name column found on line 135
-[08:09:41] WARNING: no name column found on line 136
-[08:09:41] WARNING: no name column found on line 137
-[08:09:41] WARNING: no name column found on line 138
-[08:09:41] WARNING: no name column found on line 139
-[08:09:41] WARNING: no name column found on line 140
-[08:09:41] WARNING: no name column found on line 141
-[08:09:41] WARNING: no name column found on line 142
-[08:09:41] WARNING: no name column found on line 143
-[08:09:41] WARNING: no name column found on line 144
-[08:09:41] WARNING: no name column found on line 145
-[08:09:41] WARNING: no name column found on line 146
-[08:09:41] WARNING: no name column found on line 147
-[08:09:41] WARNING: no name column found on line 148
-[08:09:41] WARNING: no name column found on line 149
-[08:09:41] WARNING: no name column found on line 150
-[08:09:41] WARNING: no name column found on line 151
-[08:09:41] WARNING: no name column found on line 152
-[08:09:41] WARNING: no name column found on line 153
-[08:09:41] WARNING: no name column found on line 154
-[08:09:41] WARNING: no name column found on line 155
-[08:09:41] WARNING: no name column found on line 156
-[08:09:41] WARNING: no name column found on line 157
-[08:09:41] WARNING: no name column found on line 158
-[08:09:41] WARNING: no name column found on line 159
-[08:09:41] WARNING: no name column found on line 160
-[08:09:41] WARNING: no name column found on line 161
-[08:09:41] WARNING: no name column found on line 162
-[08:09:41] WARNING: no name column found on line 163
-[08:09:41] WARNING: no name column found on line 164
-[08:09:41] WARNING: no name column found on line 165
-[08:09:41] WARNING: no name column found on line 166
-[08:09:41] WARNING: no name column found on line 167
-[08:09:41] WARNING: no name column found on line 168
-[08:09:41] WARNING: no name column found on line 169
-[08:09:41] WARNING: no name column found on line 170
-[08:09:41] WARNING: no name column found on line 171
-[08:09:41] WARNING: no name column found on line 172
-[08:09:41] WARNING: no name column found on line 173
-[08:09:41] WARNING: no name column found on line 174
-[08:09:41] WARNING: no name column found on line 175
-[08:09:41] WARNING: no name column found on line 176
-[08:09:41] WARNING: no name column found on line 177
-[08:09:41] WARNING: no name column found on line 178
-[08:09:41] WARNING: no name column found on line 179
-[08:09:41] WARNING: no name column found on line 180
-[08:09:41] WARNING: no name column found on line 181
-[08:09:41] WARNING: no name column found on line 182
-[08:09:41] WARNING: no name column found on line 183
-[08:09:41] WARNING: no name column found on line 184
-[08:09:41] WARNING: no name column found on line 185
-[08:09:41] WARNING: no name column found on line 186
-[08:09:41] WARNING: no name column found on line 187
-[08:09:41] WARNING: no name column found on line 188
-[08:09:41] WARNING: no name column found on line 189
-[08:09:41] WARNING: no name column found on line 190
-[08:09:41] WARNING: no name column found on line 191
-[08:09:41] WARNING: no name column found on line 192
-[08:09:41] WARNING: no name column found on line 193
-[08:09:41] WARNING: no name column found on line 194
-[08:09:41] WARNING: no name column found on line 195
-[08:09:41] WARNING: no name column found on line 196
-[08:09:41] WARNING: no name column found on line 197
-[08:09:41] WARNING: no name column found on line 198
-[08:09:41] WARNING: no name column found on line 199
-[08:09:41] WARNING: no name column found on line 200
-[08:09:41] WARNING: no name column found on line 201
-[08:09:41] WARNING: no name column found on line 202
-[08:09:41] WARNING: no name column found on line 203
-[08:09:41] WARNING: no name column found on line 204
-[08:09:41] WARNING: no name column found on line 205
-[08:09:41] WARNING: no name column found on line 206
-[08:09:41] WARNING: no name column found on line 207
-[08:09:41] WARNING: no name column found on line 208
-[08:09:41] WARNING: no name column found on line 209
-[08:09:41] WARNING: no name column found on line 210
-[08:09:41] WARNING: no name column found on line 211
-[08:09:41] WARNING: no name column found on line 212
-[08:09:41] WARNING: no name column found on line 213
-[08:09:41] WARNING: no name column found on line 214
-[08:09:41] WARNING: no name column found on line 215
-[08:09:41] WARNING: no name column found on line 216
+..[04:51:23] WARNING: not removing hydrogen atom without neighbors
+.[04:51:23] WARNING: not removing hydrogen atom without neighbors
+.[04:51:23] WARNING: no name column found on line 1
+[04:51:23] WARNING: no name column found on line 2
+[04:51:23] WARNING: no name column found on line 3
+[04:51:23] WARNING: no name column found on line 4
+[04:51:23] WARNING: no name column found on line 5
+[04:51:23] WARNING: no name column found on line 6
+[04:51:23] WARNING: no name column found on line 7
+[04:51:23] WARNING: no name column found on line 8
+[04:51:23] WARNING: no name column found on line 9
+[04:51:23] WARNING: no name column found on line 10
+[04:51:23] WARNING: no name column found on line 11
+[04:51:23] WARNING: no name column found on line 12
+[04:51:23] WARNING: no name column found on line 13
+[04:51:23] WARNING: no name column found on line 14
+[04:51:23] WARNING: no name column found on line 15
+[04:51:23] WARNING: no name column found on line 16
+[04:51:23] WARNING: no name column found on line 17
+[04:51:23] WARNING: no name column found on line 18
+[04:51:23] WARNING: no name column found on line 19
+[04:51:23] WARNING: no name column found on line 20
+[04:51:23] WARNING: no name column found on line 21
+[04:51:23] WARNING: no name column found on line 22
+[04:51:23] WARNING: no name column found on line 23
+[04:51:23] WARNING: no name column found on line 24
+[04:51:23] WARNING: no name column found on line 25
+[04:51:23] WARNING: no name column found on line 26
+[04:51:23] WARNING: no name column found on line 27
+[04:51:23] WARNING: no name column found on line 28
+[04:51:23] WARNING: no name column found on line 29
+[04:51:23] WARNING: no name column found on line 30
+[04:51:23] WARNING: no name column found on line 31
+[04:51:23] WARNING: no name column found on line 32
+[04:51:23] WARNING: no name column found on line 33
+[04:51:23] WARNING: no name column found on line 34
+[04:51:23] WARNING: no name column found on line 35
+[04:51:23] WARNING: no name column found on line 36
+[04:51:23] WARNING: no name column found on line 37
+[04:51:23] WARNING: no name column found on line 38
+[04:51:23] WARNING: no name column found on line 39
+[04:51:23] WARNING: no name column found on line 40
+[04:51:23] WARNING: no name column found on line 41
+[04:51:23] WARNING: no name column found on line 42
+[04:51:23] WARNING: no name column found on line 43
+[04:51:23] WARNING: no name column found on line 44
+[04:51:23] WARNING: no name column found on line 45
+[04:51:23] WARNING: no name column found on line 46
+[04:51:23] WARNING: no name column found on line 47
+[04:51:23] WARNING: no name column found on line 48
+[04:51:23] WARNING: no name column found on line 49
+[04:51:23] WARNING: no name column found on line 50
+[04:51:23] WARNING: no name column found on line 51
+[04:51:23] WARNING: no name column found on line 52
+[04:51:23] WARNING: no name column found on line 53
+[04:51:23] WARNING: no name column found on line 54
+[04:51:23] WARNING: no name column found on line 55
+[04:51:23] WARNING: no name column found on line 56
+[04:51:23] WARNING: no name column found on line 57
+[04:51:23] WARNING: no name column found on line 58
+[04:51:23] WARNING: no name column found on line 59
+[04:51:23] WARNING: no name column found on line 60
+[04:51:23] WARNING: no name column found on line 61
+[04:51:23] WARNING: no name column found on line 62
+[04:51:23] WARNING: no name column found on line 63
+[04:51:23] WARNING: no name column found on line 64
+[04:51:23] WARNING: no name column found on line 65
+[04:51:23] WARNING: no name column found on line 66
+[04:51:23] WARNING: no name column found on line 67
+[04:51:23] WARNING: no name column found on line 68
+[04:51:23] WARNING: no name column found on line 69
+[04:51:23] WARNING: no name column found on line 70
+[04:51:23] WARNING: no name column found on line 71
+[04:51:23] WARNING: no name column found on line 72
+[04:51:23] WARNING: no name column found on line 73
+[04:51:23] WARNING: no name column found on line 74
+[04:51:23] WARNING: no name column found on line 75
+[04:51:23] WARNING: no name column found on line 76
+[04:51:23] WARNING: no name column found on line 77
+[04:51:23] WARNING: no name column found on line 78
+[04:51:23] WARNING: no name column found on line 79
+[04:51:23] WARNING: no name column found on line 80
+[04:51:23] WARNING: no name column found on line 81
+[04:51:23] WARNING: no name column found on line 82
+[04:51:23] WARNING: no name column found on line 83
+[04:51:23] WARNING: no name column found on line 84
+[04:51:23] WARNING: no name column found on line 85
+[04:51:23] WARNING: no name column found on line 86
+[04:51:23] WARNING: no name column found on line 87
+[04:51:23] WARNING: no name column found on line 88
+[04:51:23] WARNING: no name column found on line 89
+[04:51:23] WARNING: no name column found on line 90
+[04:51:23] WARNING: no name column found on line 91
+[04:51:23] WARNING: no name column found on line 92
+[04:51:23] WARNING: no name column found on line 93
+[04:51:23] WARNING: no name column found on line 94
+[04:51:23] WARNING: no name column found on line 95
+[04:51:23] WARNING: no name column found on line 96
+[04:51:23] WARNING: no name column found on line 97
+[04:51:23] WARNING: no name column found on line 98
+[04:51:23] WARNING: no name column found on line 99
+[04:51:23] WARNING: no name column found on line 100
+[04:51:23] WARNING: no name column found on line 101
+[04:51:23] WARNING: no name column found on line 102
+[04:51:23] WARNING: no name column found on line 103
+[04:51:23] WARNING: no name column found on line 104
+[04:51:23] WARNING: no name column found on line 105
+[04:51:23] WARNING: no name column found on line 106
+[04:51:23] WARNING: no name column found on line 107
+[04:51:23] WARNING: no name column found on line 108
+[04:51:23] WARNING: no name column found on line 109
+[04:51:23] WARNING: no name column found on line 110
+[04:51:23] WARNING: no name column found on line 111
+[04:51:23] WARNING: no name column found on line 112
+[04:51:23] WARNING: no name column found on line 113
+[04:51:23] WARNING: no name column found on line 114
+[04:51:23] WARNING: no name column found on line 115
+[04:51:23] WARNING: no name column found on line 116
+[04:51:23] WARNING: no name column found on line 117
+[04:51:23] WARNING: no name column found on line 118
+[04:51:23] WARNING: no name column found on line 119
+[04:51:23] WARNING: no name column found on line 120
+[04:51:23] WARNING: no name column found on line 121
+[04:51:23] WARNING: no name column found on line 122
+[04:51:23] WARNING: no name column found on line 123
+[04:51:23] WARNING: no name column found on line 124
+[04:51:23] WARNING: no name column found on line 125
+[04:51:23] WARNING: no name column found on line 126
+[04:51:23] WARNING: no name column found on line 127
+[04:51:23] WARNING: no name column found on line 128
+[04:51:23] WARNING: no name column found on line 129
+[04:51:23] WARNING: no name column found on line 130
+[04:51:23] WARNING: no name column found on line 131
+[04:51:23] WARNING: no name column found on line 132
+[04:51:23] WARNING: no name column found on line 133
+[04:51:23] WARNING: no name column found on line 134
+[04:51:23] WARNING: no name column found on line 135
+[04:51:23] WARNING: no name column found on line 136
+[04:51:23] WARNING: no name column found on line 137
+[04:51:23] WARNING: no name column found on line 138
+[04:51:23] WARNING: no name column found on line 139
+[04:51:23] WARNING: no name column found on line 140
+[04:51:23] WARNING: no name column found on line 141
+[04:51:23] WARNING: no name column found on line 142
+[04:51:23] WARNING: no name column found on line 143
+[04:51:23] WARNING: no name column found on line 144
+[04:51:23] WARNING: no name column found on line 145
+[04:51:23] WARNING: no name column found on line 146
+[04:51:23] WARNING: no name column found on line 147
+[04:51:23] WARNING: no name column found on line 148
+[04:51:23] WARNING: no name column found on line 149
+[04:51:23] WARNING: no name column found on line 150
+[04:51:23] WARNING: no name column found on line 151
+[04:51:23] WARNING: no name column found on line 152
+[04:51:23] WARNING: no name column found on line 153
+[04:51:23] WARNING: no name column found on line 154
+[04:51:23] WARNING: no name column found on line 155
+[04:51:23] WARNING: no name column found on line 156
+[04:51:23] WARNING: no name column found on line 157
+[04:51:23] WARNING: no name column found on line 158
+[04:51:23] WARNING: no name column found on line 159
+[04:51:23] WARNING: no name column found on line 160
+[04:51:23] WARNING: no name column found on line 161
+[04:51:23] WARNING: no name column found on line 162
+[04:51:23] WARNING: no name column found on line 163
+[04:51:23] WARNING: no name column found on line 164
+[04:51:23] WARNING: no name column found on line 165
+[04:51:23] WARNING: no name column found on line 166
+[04:51:23] WARNING: no name column found on line 167
+[04:51:23] WARNING: no name column found on line 168
+[04:51:23] WARNING: no name column found on line 169
+[04:51:23] WARNING: no name column found on line 170
+[04:51:23] WARNING: no name column found on line 171
+[04:51:23] WARNING: no name column found on line 172
+[04:51:23] WARNING: no name column found on line 173
+[04:51:23] WARNING: no name column found on line 174
+[04:51:23] WARNING: no name column found on line 175
+[04:51:23] WARNING: no name column found on line 176
+[04:51:23] WARNING: no name column found on line 177
+[04:51:23] WARNING: no name column found on line 178
+[04:51:23] WARNING: no name column found on line 179
+[04:51:23] WARNING: no name column found on line 180
+[04:51:23] WARNING: no name column found on line 181
+[04:51:23] WARNING: no name column found on line 182
+[04:51:23] WARNING: no name column found on line 183
+[04:51:23] WARNING: no name column found on line 184
+[04:51:23] WARNING: no name column found on line 185
+[04:51:23] WARNING: no name column found on line 186
+[04:51:23] WARNING: no name column found on line 187
+[04:51:23] WARNING: no name column found on line 188
+[04:51:23] WARNING: no name column found on line 189
+[04:51:23] WARNING: no name column found on line 190
+[04:51:23] WARNING: no name column found on line 191
+[04:51:23] WARNING: no name column found on line 192
+[04:51:23] WARNING: no name column found on line 193
+[04:51:23] WARNING: no name column found on line 194
+[04:51:23] WARNING: no name column found on line 195
+[04:51:23] WARNING: no name column found on line 196
+[04:51:23] WARNING: no name column found on line 197
+[04:51:23] WARNING: no name column found on line 198
+[04:51:23] WARNING: no name column found on line 199
+[04:51:23] WARNING: no name column found on line 200
+[04:51:23] WARNING: no name column found on line 201
+[04:51:23] WARNING: no name column found on line 202
+[04:51:23] WARNING: no name column found on line 203
+[04:51:23] WARNING: no name column found on line 204
+[04:51:23] WARNING: no name column found on line 205
+[04:51:23] WARNING: no name column found on line 206
+[04:51:23] WARNING: no name column found on line 207
+[04:51:23] WARNING: no name column found on line 208
+[04:51:23] WARNING: no name column found on line 209
+[04:51:23] WARNING: no name column found on line 210
+[04:51:23] WARNING: no name column found on line 211
+[04:51:23] WARNING: no name column found on line 212
+[04:51:23] WARNING: no name column found on line 213
+[04:51:23] WARNING: no name column found on line 214
+[04:51:23] WARNING: no name column found on line 215
+[04:51:23] WARNING: no name column found on line 216
 ......
 ----------------------------------------------------------------------
-Ran 10 tests in 0.081s
+Ran 10 tests in 0.149s
 
 OK
 ..................
 ----------------------------------------------------------------------
-Ran 18 tests in 0.493s
+Ran 18 tests in 2.000s
 
 OK
 ...
 ----------------------------------------------------------------------
-Ran 3 tests in 0.052s
+Ran 3 tests in 0.224s
 
 OK
 ........
 ----------------------------------------------------------------------
-Ran 8 tests in 0.019s
+Ran 8 tests in 0.072s
 
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.014s
+Ran 2 tests in 0.046s
 
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.009s
+Ran 2 tests in 0.024s
 
 OK
 .
 ----------------------------------------------------------------------
-Ran 1 test in 0.043s
+Ran 1 test in 0.115s
 
 OK
 ........
@@ -29033,37 +29068,37 @@
 OK
 ...
 ----------------------------------------------------------------------
-Ran 3 tests in 0.003s
+Ran 3 tests in 0.008s
 
 OK
 ...
 ----------------------------------------------------------------------
-Ran 3 tests in 0.001s
+Ran 3 tests in 0.005s
 
 OK
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 0.002s
+Ran 4 tests in 0.006s
 
 OK
 .......
 ----------------------------------------------------------------------
-Ran 7 tests in 0.009s
+Ran 7 tests in 0.034s
 
 OK
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 0.011s
+Ran 4 tests in 0.032s
 
 OK
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 1.381s
+Ran 4 tests in 3.802s
 
 OK
 ..........
 ----------------------------------------------------------------------
-Ran 10 tests in 0.030s
+Ran 10 tests in 0.034s
 
 OK
 .
@@ -29078,18 +29113,18 @@
 OK
 .....
 ----------------------------------------------------------------------
-Ran 5 tests in 0.039s
+Ran 5 tests in 0.050s
 
 OK
-.........[08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-[08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-[08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-[08:09:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-.......[08:09:53] Molecule does not have explicit Hs. Consider calling AddHs()
-[08:09:53] Molecule does not have explicit Hs. Consider calling AddHs()
+.........[04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+[04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+[04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+[04:51:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+.......[04:51:55] Molecule does not have explicit Hs. Consider calling AddHs()
+[04:51:55] Molecule does not have explicit Hs. Consider calling AddHs()
 .....
 ----------------------------------------------------------------------
-Ran 21 tests in 3.235s
+Ran 21 tests in 9.553s
 
 OK
 mol_197
@@ -29103,7 +29138,7 @@
 Ran 1 test in 0.000s
 
 OK
-...[08:09:53] 
+...[04:51:57] 
 
 ****
 Pre-condition Violation
@@ -29114,63 +29149,63 @@
 
 .
 ----------------------------------------------------------------------
-Ran 4 tests in 0.013s
+Ran 4 tests in 0.054s
 
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 3.862s
+Ran 2 tests in 10.827s
 
 OK
 ..
 ----------------------------------------------------------------------
-Ran 2 tests in 0.051s
+Ran 2 tests in 0.133s
 
 OK
 ...
 ----------------------------------------------------------------------
-Ran 3 tests in 0.007s
+Ran 3 tests in 0.016s
 
 OK
 ....
 ----------------------------------------------------------------------
-Ran 4 tests in 0.012s
+Ran 4 tests in 0.013s
 
 OK
-.....[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
-[08:09:59] WARNING: not removing hydrogen atom without neighbors
+.....[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
+[04:52:12] WARNING: not removing hydrogen atom without neighbors
 .....
 ----------------------------------------------------------------------
-Ran 10 tests in 0.178s
+Ran 10 tests in 0.467s
 
 OK
 ssssss..........s/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/Draw/__init__.py:237: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually
   warnings.warn(
 .....
 ----------------------------------------------------------------------
-Ran 22 tests in 3.025s
+Ran 22 tests in 3.535s
 
 OK (skipped=7)
 sss.
 ----------------------------------------------------------------------
-Ran 4 tests in 0.260s
+Ran 4 tests in 0.526s
 
 OK (skipped=3)
 ssss
@@ -29180,23 +29215,23 @@
 OK (skipped=4)
 ..........
 ----------------------------------------------------------------------
-Ran 10 tests in 0.440s
+Ran 10 tests in 0.439s
 
 OK
-...[08:10:05] SMARTS Parse Error: syntax error while parsing: boromicacid
-[08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-[08:10:05] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-[08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-[08:10:05] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-[08:10:05] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-[08:10:05] reaction has no reactants
-[08:10:05] reaction has no products
-[08:10:05] initialization failed
-[08:10:05] reaction has no reactants
-[08:10:05] reaction has no products
+...[04:52:20] SMARTS Parse Error: syntax error while parsing: boromicacid
+[04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+[04:52:20] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+[04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+[04:52:20] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+[04:52:20] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+[04:52:20] reaction has no reactants
+[04:52:20] reaction has no products
+[04:52:20] initialization failed
+[04:52:20] reaction has no reactants
+[04:52:20] reaction has no products
 .
 ----------------------------------------------------------------------
-Ran 4 tests in 0.021s
+Ran 4 tests in 0.020s
 
 OK
 ['C[C@@H](F)CN', 'C[C@@H](F)CN |a:1|', 'C[C@H](F)CN |o1:1|', 'C[C@H](F)CN |&1:1|']
@@ -29214,28 +29249,18 @@
 !!! TEST FAILURE:  python UnitTestInchi.py {}
 !!! TEST FAILURE:  python UnitTestPandasTools.py {}
 
-223/223 Test  #67: testMultithreadedMolSupplier ...........***Timeout 1500.11 sec
-[08:07:49] 
------------------------------------------
-[08:07:54] Finished: testSmiCorrectness()
-[08:07:54] -----------------------------------------
-
-[08:07:54] 
------------------------------------------
-[08:07:54] Spurious data before the first property will be ignored
-[08:07:54] Property <ID> will be truncated after the first blank line
-[08:07:54] Property <ID> will be truncated after the first blank line
-[08:07:54] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-
+6: [04:52:30] Finished: testMultipleTimes() 
+6: [04:52:30] 
+6: -----------------------------------------
+223/223 Test   #6: testConcurrentQueue ....................   Passed  246.94 sec
 
-98% tests passed, 5 tests failed out of 223
+98% tests passed, 4 tests failed out of 223
 
-Total Test time (real) = 1501.51 sec
+Total Test time (real) = 247.06 sec
 
 The following tests FAILED:
 	  1 - testInchi (Subprocess aborted)
 	 21 - testConrec (Failed)
-	 67 - testMultithreadedMolSupplier (Timeout)
 	219 - pythonTestDirDbase (Failed)
 	223 - pythonTestDirChem (Failed)
 Errors while running CTest
@@ -31978,29 +32003,29 @@
  diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
    dh_installdeb -O--buildsystem=cmake
    dh_gencontrol -O--buildsystem=cmake
-dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: package rdkit-data: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: Depends field of package rdkit-doc: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: package postgresql-17-rdkit: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
-dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: package rdkit-doc: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
+dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: package postgresql-17-rdkit: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined
+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 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202309.3-7_arm64.deb'.
-dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202309.3-7_all.deb'.
-dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202309.3-7_arm64.deb'.
-dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202309.3-7_arm64.deb'.
 dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202309.3-7_arm64.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202309.3-7_arm64.deb'.
-dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202309.3-7_all.deb'.
-dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202309.3-7_all.deb'.
 dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202309.3-7_all.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202309.3-7_arm64.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202309.3-7_arm64.deb'.
  dpkg-genbuildinfo --build=binary -O../rdkit_202309.3-7_arm64.buildinfo
  dpkg-genchanges --build=binary -O../rdkit_202309.3-7_arm64.changes
 dpkg-genchanges: info: binary-only upload (no source code included)
@@ -32008,12 +32033,14 @@
 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/871424/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/871424/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/4117202 and its subdirectories
-I: Current time: Mon Dec 22 08:35:30 -12 2025
-I: pbuilder-time-stamp: 1766435730
+I: removing directory /srv/workspace/pbuilder/871424 and its subdirectories
+I: Current time: Wed Nov 20 04:55:07 +14 2024
+I: pbuilder-time-stamp: 1732028107