Diff of the two buildlogs:

--
--- b1/build.log	2025-03-17 10:00:07.546783770 +0000
+++ b2/build.log	2025-03-17 10:17:46.563264812 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Sun Mar 16 20:54:51 -12 2025
-I: pbuilder-time-stamp: 1742201691
+I: Current time: Mon Apr 20 06:23:12 +14 2026
+I: pbuilder-time-stamp: 1776615792
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
 I: copying local configuration
@@ -35,52 +35,84 @@
 dpkg-source: info: applying disable_riscv64_timeout_tests.patch
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/2242063/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/3364963/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos15-amd64.
+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 Apr 19 16:23 /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/3364963/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/3364963/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='amd64'
-  DEBIAN_FRONTEND='noninteractive'
-  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
-  DISTRIBUTION='trixie'
-  HOME='/root'
-  HOST_ARCH='amd64'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu")
+  BASH_VERSION='5.2.37(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=amd64
+  DEBIAN_FRONTEND=noninteractive
+  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
+  DIRSTACK=()
+  DISTRIBUTION=trixie
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=x86_64
+  HOST_ARCH=amd64
   IFS=' 	
   '
-  INVOCATION_ID='32cf3dd124fe461fb437a36dd2788c04'
-  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='2242063'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=1d708fc1cfb74b58b0f766d3f6828a6b
+  LANG=C
+  LANGUAGE=et_EE:et
+  LC_ALL=C
+  MACHTYPE=x86_64-pc-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=3364963
   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.0dUPBDtL/pbuilderrc_XPlR --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0dUPBDtL/b1 --logfile b1/build.log rdkit_202409.6-2.dsc'
-  SUDO_GID='111'
-  SUDO_UID='106'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://46.16.76.132:3128'
+  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.0dUPBDtL/pbuilderrc_iJ7j --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0dUPBDtL/b2 --logfile b2/build.log rdkit_202409.6-2.dsc'
+  SUDO_GID=111
+  SUDO_UID=106
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://213.165.73.152:3128
 I: uname -a
-  Linux ionos11-amd64 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux
+  Linux i-capture-the-hostname 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Mar  4 11:20 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/2242063/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Mar  4  2025 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/3364963/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -573,7 +605,7 @@
 Get: 368 http://deb.debian.org/debian trixie/main amd64 texlive-latex-recommended all 2024.20250114-1 [8760 kB]
 Get: 369 http://deb.debian.org/debian trixie/main amd64 texlive-pictures all 2024.20250114-1 [17.1 MB]
 Get: 370 http://deb.debian.org/debian trixie/main amd64 texlive-latex-extra all 2024.20250114-1 [24.7 MB]
-Fetched 429 MB in 25s (17.0 MB/s)
+Fetched 429 MB in 8s (56.1 MB/s)
 Preconfiguring packages ...
 Selecting previously unselected package m4.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19803 files and directories currently installed.)
@@ -1762,8 +1794,8 @@
 Setting up tzdata (2025a-2) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Mon Mar 17 08:57:55 UTC 2025.
-Universal Time is now:  Mon Mar 17 08:57:55 UTC 2025.
+Local time is now:      Sun Apr 19 16:25:34 UTC 2026.
+Universal Time is now:  Sun Apr 19 16:25:34 UTC 2026.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libboost-atomic1.83.0:amd64 (1.83.0-4.1+b2) ...
@@ -2148,7 +2180,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
+I: user script /srv/workspace/pbuilder/3364963/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/3364963/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
 dpkg-buildpackage: info: source package rdkit
 dpkg-buildpackage: info: source version 202409.6-2
 dpkg-buildpackage: info: source distribution unstable
@@ -2272,8 +2308,8 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (8.4s)
--- Generating done (6.1s)
+-- Configuring done (1.8s)
+-- Generating done (1.1s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -2334,14 +2370,14 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (5.6s)
+-- Configuring done (0.5s)
 -- Generating done (0.0s)
 -- Build files have been written to: /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    debian/rules override_dh_auto_build
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_auto_build
-	cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1
+	cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6 -B/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
@@ -2349,95 +2385,95 @@
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+make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E copy /build/reproducible-path/rdkit-202409.6/External/INCHI-API/python/inchi.py /build/reproducible-path/rdkit-202409.6/rdkit/Chem/inchi.py
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDGeneralExceptions.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDGeneralExceptions.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
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-[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o
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-[  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/Chromosome.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/LocaleSwitcher.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/RandomUtil.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_main.cpp
+[  1%] Built target inchi_support
 [  1%] Linking C shared library ../../../../lib/libRDKithc.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1
 /usr/bin/cc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -Wl,--dependency-file=CMakeFiles/hc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKithc.so.1 -o ../../../../lib/libRDKithc.so.1.2024.09.6 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o  /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
@@ -2446,13 +2482,13 @@
 [  1%] Built target hc
 [  2%] Linking CXX shared library ../../lib/libRDKitga.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_link_script CMakeFiles/ga.dir/link.txt --verbose=1
+[  2%] Linking CXX static library librdkitCatch.a
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -P CMakeFiles/rdkitCatch.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2024.09.6 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkitCatch.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  2%] Built target ga
-[  2%] Linking CXX static library librdkitCatch.a
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -P CMakeFiles/rdkitCatch.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkitCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
@@ -2470,658 +2506,618 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  2%] Built target RDGeneral
 make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/depend
+make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend
+make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/DataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color="
-make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake "--color="
-make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
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+make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
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-make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color="
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/logTestsCatch.dir/DependInfo.cmake "--color="
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake "--color="
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake "--color="
+make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend
+make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Query /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/CMakeFiles/testQuery.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteValueVect.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o -MF CMakeFiles/testDict.dir/testDict.cpp.o.d -o CMakeFiles/testDict.dir/testDict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testDict.cpp
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+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
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+[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
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+[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -MF CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o.d -o CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_dict.cpp
+[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testConcurrentQueue.cpp
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/SparseBitVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
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-[  3%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
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+[  3%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
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+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
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+[  3%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
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+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_logs.cpp
+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
+[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/ExplicitBitVect.cpp
+[  4%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o -MF CMakeFiles/DataStructs.dir/base64.cpp.o.d -o CMakeFiles/DataStructs.dir/base64.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/base64.cpp
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+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
+[  4%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
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-[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
-[  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/DistPicker.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
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-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/MultiFPBReader.cpp
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-[  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
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+[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
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-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/MultiFPBReader.cpp
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-[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/DistPicker.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
 [  5%] Linking CXX executable testMatCalc
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
-[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogEntry.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatCalc.dir/link.d CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -o testMatCalc  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[  5%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
-[  5%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
+[  5%] Linking CXX executable testConcurrentQueue
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConcurrentQueue.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConcurrentQueue.dir/link.d CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -o testConcurrentQueue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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+[  5%] Built target testConcurrentQueue
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so
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-[  7%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
+[  6%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
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-[  7%] Built target testMatrices
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
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-[  8%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
+[  7%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
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-[  8%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/dictTestsCatch.dir/link.d CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -o dictTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDBoost.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDBoost.so.1 -o ../../lib/libRDKitRDBoost.so.1.2024.09.6 CMakeFiles/RDBoost.dir/Wrap.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so
-[  8%] Built target dictTestsCatch
+[  7%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  8%] Built target RDBoost
-make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake "--color="
+[  7%] Built target Catalogs
+[  8%] Linking CXX executable logTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/logTestsCatch.dir/link.d CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -o logTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-make  -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build
+[  8%] Built target logTestsCatch
+[  8%] Linking CXX executable testMatrices
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatrices.dir/link.d CMakeFiles/testMatrices.dir/testMatrices.cpp.o -o testMatrices  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  8%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DClustering_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o -MF CMakeFiles/Clustering.dir/Clustering.cpp.o.d -o CMakeFiles/Clustering.dir/Clustering.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/Clustering.cpp
-[  9%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdBase_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o -MF CMakeFiles/rdBase.dir/RDBase.cpp.o.d -o CMakeFiles/rdBase.dir/RDBase.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap/RDBase.cpp
-[  9%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
+[  8%] Built target testMatrices
+[  8%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
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 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDataStructs.so.1 -o ../../lib/libRDKitDataStructs.so.1.2024.09.6 CMakeFiles/DataStructs.dir/BitVect.cpp.o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o CMakeFiles/DataStructs.dir/Utils.cpp.o CMakeFiles/DataStructs.dir/base64.cpp.o CMakeFiles/DataStructs.dir/BitOps.cpp.o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/DataStructs.dir/FPBReader.cpp.o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so
-[  9%] Linking CXX executable testQuery
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-[  9%] Built target DataStructs
+[  8%] Built target DataStructs
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+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
+make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend
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-make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
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+make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
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-make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/build
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
+make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
+make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/build
+make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
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-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
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+[  8%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
+[  8%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o
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+[  8%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
+[  8%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/catch_tests.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -MF CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o.d -o CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
 [  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
+[  9%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
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+[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
 [ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/InfoBitRanker.cpp
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-[ 11%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
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-[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
-[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
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+[ 10%] Linking CXX executable dictTestsCatch
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 10%] Built target dictTestsCatch
+[ 10%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDBoost.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../lib/libRDKitRDBoost.so.1 ../../lib/libRDKitRDBoost.so
+[ 10%] Linking CXX executable testQuery
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 10%] Built target RDBoost
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 [ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
-[ 11%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
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+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
+[ 12%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
+[ 12%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
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+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
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-[ 11%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
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-[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
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+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_BitOps.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_Utils.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 11%] Linking CXX executable testSimDivPickers
+[ 12%] Built target testQuery
+[ 12%] Linking CXX executable testSimDivPickers
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/SparseIntVect.cpp
-[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/LeaderPicker.cpp
-[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
-[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
-[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
-[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_SparseBV.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
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-[ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
-[ 13%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
+[ 12%] Built target testRDValue
+[ 12%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeometryLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Built target RDGeometryLib
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcQuantize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Data/cQuantize.cpp
-[ 14%] Linking CXX executable pickersTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickersTestsCatch.dir/link.d CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 14%] Built target pickersTestsCatch
-make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend
+[ 12%] Built target RDGeometryLib
+make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend
+make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend
+make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
+make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake "--color="
+make  -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/depend
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-[ 14%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemicalFeatures_EXPORTS -DRDKIT_CHEMICALFEATURES_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/FreeChemicalFeature.cpp
-[ 14%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
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-[ 14%] Built target Clustering
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
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+make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend
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-[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202409.6/Code/GraphMol/Atom.cpp
-[ 14%] Linking CXX executable testFPB
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-[ 14%] Built target testFPB
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testRealValueGrid.dir/DependInfo.cmake "--color="
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-[ 14%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.cpp
-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_FPB.cpp
-[ 14%] Linking CXX executable testMultiFPB
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-[ 14%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
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-[ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake "--color="
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Alignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2024.09.6 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
-make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/depend
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-[ 14%] Building CXX object Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -MF CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o.d -o CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testRealValueGrid.cpp
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-[ 14%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/catch_tests.cpp
-[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
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-[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.6/Code/Geometry/Wrap/Point.cpp
-[ 14%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
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-make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testConrec.cpp
+[ 13%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testGrid.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Features/testFeatures.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testTransforms.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.cpp
+[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o
+[ 13%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
+[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformRealValueGrid3D.cpp
-[ 16%] Linking CXX executable testRealValueGrid
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
-[ 16%] Linking CXX executable geometryTestsCatch
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Built target testRealValueGrid
-[ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformGrid3D.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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-202409.6/Code/GraphMol/Atom.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.6/Code/Geometry/Wrap/Point.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/rdGeometry.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/geometryTestsCatch.dir/link.d CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Built target geometryTestsCatch
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemicalFeatures_EXPORTS -DRDKIT_CHEMICALFEATURES_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/FreeChemicalFeature.cpp
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-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
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-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
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-[ 16%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
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-[ 16%] Built target testDataStructs
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
+[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
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-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
+[ 14%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 14%] Built target InfoTheory
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+[ 16%] Linking CXX executable pickersTestsCatch
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+[ 16%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
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-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 17%] Built target testAlignment
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
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-[ 18%] Linking CXX executable testConrec
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+[ 16%] Linking CXX executable testDict
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-[ 18%] Built target testConrec
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
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-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o
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-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
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-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
+[ 16%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
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+[ 16%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
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+[ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
+make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so
+[ 16%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target ChemicalFeatures
+[ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
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 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp:1292:36: warning: unused parameter 'mol' [-Wunused-parameter]
  1292 | void findRingFamilies(const ROMol &mol) {
       |                       ~~~~~~~~~~~~~^~~
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
+[ 16%] Linking CXX executable testGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
+[ 16%] Linking CXX executable testBaseFeatures
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target testGrid
+[ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target testBaseFeatures
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Kekulize.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o
+[ 16%] Linking CXX executable geometryTestsCatch
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target geometryTestsCatch
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-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o
+[ 16%] Linking CXX executable testFPB
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/DependInfo.cmake "--color="
+make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build
+[ 17%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/testAlignment.cpp
+[ 17%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
+[ 17%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 17%] Built target testFPB
+make  -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color="
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AddHs.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target rdMetricMatrixCalc
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Matrices.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
+[ 18%] Linking CXX executable testRealValueGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
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-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target testRealValueGrid
+[ 18%] Linking CXX executable testTransforms
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-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target testTransforms
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -MF CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o.d -o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AdjustQuery.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
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+[ 19%] Linking CXX executable testConrec
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
 [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.cpp
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+[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 19%] Built target rdGeometry
+[ 19%] Built target testConrec
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/new_canon.cpp.o -MF CMakeFiles/GraphMol.dir/new_canon.cpp.o.d -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/new_canon.cpp
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@@ -3132,12 +3128,52 @@
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+[ 20%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdSimDivPickers
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 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o
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+[ 20%] Linking CXX executable testChemicalFeatures
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemicalFeatures.dir/link.d CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -o testChemicalFeatures  ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testChemicalFeatures
+[ 20%] Linking CXX executable testAlignment
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAlignment.dir/link.d CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testAlignment
+[ 20%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target cQuantize
+[ 20%] Linking CXX executable testDataStructs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDataStructs.dir/link.d CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testDataStructs
+[ 20%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAlignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Numerics/rdAlignment.so CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o  ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdAlignment
+[ 20%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdInfoTheory
+[ 20%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdGeometry
 [ 20%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cDataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -3153,1101 +3189,1009 @@
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.cpp
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+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build
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-[ 21%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.cpp
-[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.cpp
-[ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/Subgraphs.cpp
-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_periodictable.cpp
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-make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build
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+[ 20%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o
+[ 20%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
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+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
+[ 20%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
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 [ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
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+[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
+[ 21%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
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+[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
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+[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
+[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
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+[ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
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+[ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
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-[ 21%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
-[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
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+[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
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+[ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
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+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
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-[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o -MF CMakeFiles/rdqueries.dir/rdqueries.cpp.o.d -o CMakeFiles/rdqueries.dir/rdqueries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdqueries.cpp
-[ 22%] Linking CXX executable tableTestsCatch
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+[ 26%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
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+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
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+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
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+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
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+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
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+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
+[ 27%] Linking CXX executable tableTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
+[ 27%] Built target tableTestsCatch
+[ 27%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Trajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTrajectory.so.1 -o ../../../lib/libRDKitTrajectory.so.1.2024.09.6 CMakeFiles/Trajectory.dir/Trajectory.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
+[ 27%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
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-[ 22%] Built target Trajectory
+[ 27%] Built target Trajectory
 make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
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-[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
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-[ 22%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
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 make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/LinearSearch.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Trajectory.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.cpp
+[ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdTrajectory.cpp
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-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
-[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
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-[ 24%] Built target GenericGroups
+[ 28%] Built target MolCatalog
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
+[ 28%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolCatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -MF CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o.d -o CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
+[ 28%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
+[ 28%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Subgraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 28%] Built target PartialCharges
+make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
+[ 28%] Built target Subgraphs
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-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.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/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
-[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
+[ 28%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
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+[ 28%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
-[ 24%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target Optimizer
-[ 25%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
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-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
+[ 28%] Built target Optimizer
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend
+make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 26%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/testOptimizer.cpp
-[ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/sln.tab.cpp
-[ 26%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
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+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
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+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
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+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
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+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
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+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
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+[ 30%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
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-[ 26%] Built target MolTransforms
-make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
+[ 30%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 26%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
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-[ 26%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
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-[ 26%] Linking CXX executable testOptimizer
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 30%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
+[ 30%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 26%] Built target testOptimizer
-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
+[ 30%] Built target GenericGroups
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 26%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
-[ 26%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Subgraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
+[ 30%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
+[ 31%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 31%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 26%] Built target Subgraphs
+[ 31%] Built target MolTransforms
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build
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-[ 26%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
+[ 31%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp
-[ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
+[ 31%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
+[ 31%] Linking CXX executable testOptimizer
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Built target testOptimizer
+[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdPartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 27%] Built target rdPartialCharges
-[ 28%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/lex.yysln.cpp
-[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraint.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
-[ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
-[ 28%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 28%] Built target rdtrajectory
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
-[ 28%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
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-[ 29%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
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-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 30%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
+[ 32%] Built target rdPartialCharges
+[ 32%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
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-[ 30%] Built target SLNParse
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
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-[ 31%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 31%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
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-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 31%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
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-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
+[ 32%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
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-[ 32%] Built target ShapeHelpers
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+[ 32%] Built target rdtrajectory
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 32%] Built target rdCIPLabeler
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.cpp
+[ 32%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
+[ 33%] Linking CXX shared library ../../lib/libRDKitForceField.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 33%] Built target ShapeHelpers
 make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
+[ 33%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target rdMolInterchange
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/AngleBend.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/BondStretch.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
+[ 33%] Built target ForceField
+[ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target SmilesParse
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+[ 33%] Built target rdMolCatalog
+[ 33%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
+[ 33%] Built target MolInterchange
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 33%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
+[ 33%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
+[ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
-[ 32%] Built target rdMolTransforms
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
+[ 33%] Built target rdSLNParse
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.cpp
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+[ 33%] Built target SmilesParse
+make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
 make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
+make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
+make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/itertest.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/depend
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-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend
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-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
+make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/memtest1.cpp
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
-make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake "--color="
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-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_queries.cpp
-make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
-[ 34%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
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-[ 34%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
-[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
+[ 34%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdBase.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build
+[ 34%] Built target rdBase
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 34%] Built target SubstructMatch
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
-[ 34%] Built target queryTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o -MF CMakeFiles/testSubgraphs2.dir/test2.cpp.o.d -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test2.cpp
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
+make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/catch_tests.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Built target graphmolcpTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-[ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
-[ 34%] Linking CXX executable smiTest2
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1
-[ 35%] Linking CXX shared library ../../lib/libRDKitForceField.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest2.dir/link.d CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Built target smiTest2
-make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color="
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-[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color="
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-[ 38%] Built target graphmolqueryTest
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-[ 39%] Linking CXX executable testSubgraphs2
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-[ 39%] Linking CXX executable testPartialCharges
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPartialCharges.dir/link.txt --verbose=1
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
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+[ 35%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
+[ 35%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
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+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
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+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
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+[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
+[ 35%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
+[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o -MF CMakeFiles/testSLNParse.dir/test.cpp.o.d -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/test.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/EmbeddedFrag.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
+[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.cpp
+[ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
+[ 35%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
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+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_REDUCEDGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -MF CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o.d -o CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/DepictUtils.cpp
-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
-[ 39%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
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+[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
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+[ 35%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
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+[ 35%] Linking CXX executable testPartialCharges
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target rdCIPLabeler
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
-[ 39%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
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+[ 35%] Built target testPartialCharges
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+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target ReducedGraphs
-[ 39%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
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-[ 39%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
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+[ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
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+[ 36%] Linking CXX executable v2smiTestCatch
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-[ 39%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Templates.cpp
-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
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-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
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-[ 39%] Linking CXX executable testReducedGraphs
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+[ 36%] Built target v2smiTestCatch
+[ 36%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target testReducedGraphs
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
-[ 39%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
+[ 36%] Built target graphmolMemTest1
+[ 36%] Linking CXX executable graphmolcpTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
+[ 36%] Built target queryTestsCatch
+[ 36%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
+[ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
+[ 36%] Linking CXX executable subgraphsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
-[ 40%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
+[ 36%] Built target graphmolcpTest
+[ 36%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Built target FragCatalog
-[ 40%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
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-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
+[ 36%] Built target rdMolInterchange
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
-[ 40%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 36%] Built target subgraphsCatch
+[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
+[ 36%] Linking CXX executable graphmolIterTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp
-[ 40%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
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+[ 36%] Built target graphmolIterTest
+[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
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+[ 36%] Linking CXX executable testSubgraphs2
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-[ 40%] Built target testSLNParse
-[ 40%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
+[ 36%] Built target testSubgraphs2
+[ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
+[ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
+[ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
+[ 37%] Linking CXX executable molbundleTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
+[ 37%] Linking CXX executable testSubgraphs1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Built target Depictor
-make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend
-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend
-make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
-make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color="
+[ 37%] Built target molbundleTestsCatch
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Built target testSubgraphs1
+[ 37%] Linking CXX executable moliteratorTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Built target moliteratorTestsCatch
+[ 37%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
-make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build
+[ 37%] Built target ReducedGraphs
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
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-make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
-[ 40%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-[ 40%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/hashfunctions.cpp
-[ 40%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/inchi.cpp
-[ 40%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
+[ 37%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/test1.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
+[ 37%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
-[ 40%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
+[ 37%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
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-[ 40%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
+[ 37%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAbbreviations_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -MF CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o.d -o CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
-[ 40%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Built target FragCatalog
+[ 37%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
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+[ 37%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Built target MolChemicalFeatures
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Built target MolChemicalFeatures
 make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
+[ 37%] Built target MolAlign
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
-[ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Built target rdReducedGraphs
-[ 41%] Linking CXX executable smaTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
-[ 41%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Built target smaTest1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
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-[ 41%] Built target Fingerprints
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
+[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
+[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+[ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
-[ 41%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
-[ 41%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
+[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
+[ 39%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
+[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
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+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
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+[ 40%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1
-[ 41%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
-[ 41%] Built target ForceFieldHelpers
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
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-[ 41%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
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-[ 41%] Building CXX object Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o
-[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/catch_tests.cpp
-[ 41%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/TriangleSmooth.cpp
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
+[ 41%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
+[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
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-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
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-[ 42%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target RDInchiLib
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
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-[ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
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+[ 41%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
+[ 41%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/ForceField.cpp
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.6 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 41%] Built target Fingerprints
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o  ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
+[ 41%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
+[ 41%] Linking CXX executable testReducedGraphs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target rdDepictor
-[ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
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+[ 41%] Built target testReducedGraphs
+[ 41%] Linking CXX executable graphmolqueryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
+[ 41%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target rdMolChemicalFeatures
-[ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 41%] Built target graphmolqueryTest
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target rdAbbreviations
+[ 41%] Built target rdReducedGraphs
+[ 41%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 41%] Built target FilterCatalog
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
+[ 42%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
+[ 42%] Linking CXX executable testSLNParse
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSLNParse.dir/link.d CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 42%] Built target testSLNParse
 [ 43%] Linking CXX executable ForceFieldsCatch
+[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldsCatch.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Built target ForceFieldsCatch
-[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Built target rdMolHash
+[ 43%] Built target rdMolChemicalFeatures
+[ 43%] Built target ForceFieldsCatch
 [ 43%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2024.09.6 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
-[ 43%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 43%] Built target DistGeometry
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend
@@ -4256,160 +4200,262 @@
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/Mol2FileParser.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileParser.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
-[ 43%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
-[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileStereochem.cpp
-[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileWriter.cpp
-[ 45%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
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+[ 43%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/testDistGeom.cpp
+[ 43%] Linking CXX executable smaTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 45%] Built target rdinchi
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
-[ 45%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
+[ 43%] Built target smaTest1
+[ 43%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 43%] Built target rdCoordGen
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 45%] Built target MolInteractionFields
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o
+[ 44%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMIF_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o -MF CMakeFiles/rdMIF.dir/rdMIF.cpp.o.d -o CMakeFiles/rdMIF.dir/rdMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
+[ 44%] Linking CXX executable testDistGeom
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
+[ 44%] Built target testDistGeom
+[ 44%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o  ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Built target rdForceFieldHelpers
-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDMolSupplier.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
-[ 46%] Linking CXX executable testDistGeom
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 44%] Built target rdForceFieldHelpers
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Built target rdMHFPFingerprint
-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDWriter.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 44%] Built target rdAbbreviations
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Depictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2024.09.6 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Built target testDistGeom
-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
-[ 46%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
+[ 44%] Built target Depictor
+make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
+[ 44%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
+[ 44%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
+[ 44%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
+[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/inchi.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
+[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/hashfunctions.cpp
+[ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Built target rdForceField
-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
-[ 46%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
+[ 44%] Built target rdForceField
+[ 44%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 46%] Built target DistGeom
+[ 44%] Built target DistGeom
+[ 44%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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.1.2024.09.6 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target DistGeomHelpers
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdMHFPFingerprint
+[ 44%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2024.09.6 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target MolHash
+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
+[ 44%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 CMakeFiles/RDInchiLib.dir/inchi.cpp.o  /usr/lib/x86_64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../lib/libRDKitRDInchiLib.so.1 ../../lib/libRDKitRDInchiLib.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target RDInchiLib
+make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdFingerprintGenerator
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o  ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdDepictor
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdMolHash
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdMIF
+[ 44%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
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+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
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+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
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 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileWriter.cpp
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 [ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
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+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o
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-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
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-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o
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-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-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/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp
-[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 48%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o  ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 48%] Built target rdMIF
+[ 48%] Built target rdinchi
+[ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o  ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 48%] Built target rdfiltercatalog
 [ 48%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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/FileParsers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFileParsers.so.1 -o ../../../lib/libRDKitFileParsers.so.1.2024.09.6 CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDWriter.cpp.o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o CMakeFiles/FileParsers.dir/PDBParser.cpp.o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o CMakeFiles/FileParsers.dir/SVGParser.cpp.o CMakeFiles/FileParsers.dir/PNGParser.cpp.o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -4420,96 +4466,150 @@
 make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/depend
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 make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/CMakeFiles/testCoordGen.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/CMakeFiles/testCoordGen.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/testSGroup.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend
+make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/canonTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/depend
+make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color="
+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-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color="
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+make  -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 48%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
-[ 48%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/resMolSupplierTest.cpp
-make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
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+make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPicklerGlobalSettings.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o -MF CMakeFiles/ChemReactions.dir/Reaction.cpp.o.d -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Reaction.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
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-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.6/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolWriter.cpp
-[ 53%] Linking CXX executable graphmoltestPickler
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
-[ 53%] Linking CXX executable testSquiggleDoubleBonds
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 53%] Built target graphmoltestPickler
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -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-202409.6/Code/GraphMol/FileParsers/testTpls.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Built target testSquiggleDoubleBonds
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -MF CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o.d -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMol2ToMol.cpp
-[ 53%] Linking CXX executable graphmoltestChirality
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1
-[ 53%] Linking CXX executable testAtropisomers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Built target graphmoltestChirality
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build
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+make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o -MF CMakeFiles/testSequence.dir/testSequence.cpp.o.d -o CMakeFiles/testSequence.dir/testSequence.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSequence.cpp
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-make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake "--color="
+[ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
+[ 49%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
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+[ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
+[ 49%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
+[ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
+[ 49%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o
+[ 49%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testMolBundle.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -MF CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o.d -o CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molops.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test-valgrind.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/testMMFFForceField.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/catch_tests.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o
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-[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
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-[ 54%] Linking CXX executable testDepictor
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/testDepictor.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testSGroup.cpp
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o -MF CMakeFiles/fileParsersTest1.dir/test1.cpp.o.d -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/test1.cpp
+[ 52%] Linking CXX executable testSequence
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
+[ 52%] Built target testSequence
+[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
-[ 54%] Built target testDepictor
-make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
+[ 52%] Linking CXX executable test-valgrind
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/test-valgrind.dir/link.txt --verbose=1
+[ 52%] Linking CXX executable testMol2ToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
+[ 52%] Linking CXX executable testExtendedStereoParsing
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/file_parsers_catch.cpp
-[ 55%] Linking CXX executable testGeneralFileReader
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable testSequence
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable testMultithreadedMolSupplier
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test-valgrind.dir/link.d "CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o" -o test-valgrind  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
+[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -MF CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o.d -o CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testPropertyLists.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testMultithreadedMolSupplier
+[ 52%] Built target testExtendedStereoParsing
+[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
+[ 52%] Linking CXX executable testSquiggleDoubleBonds
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
 make  -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend
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-[ 55%] Built target testSequence
-make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
+[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
+[ 52%] Built target testSquiggleDoubleBonds
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -MF CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o.d -o CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
+[ 53%] Linking CXX executable testTplParser
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 53%] Built target testTplParser
+make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
-[ 55%] Linking CXX executable testTplParser
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable testMol2ToMol
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Linking CXX executable testAtropisomers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
+[ 53%] Linking CXX executable molopsTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molopsTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAtropisomers.dir/link.d CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -o testAtropisomers  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 53%] Built target testAtropisomers
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molopsTestsCatch.dir/link.d CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -o molopsTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testTplParser
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
+[ 53%] Built target molopsTestsCatch
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionRunner.cpp
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+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -MF CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o.d -o CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp
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+[ 53%] Linking CXX executable testMultithreadedMolSupplier
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+[ 53%] Linking CXX executable graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
+[ 53%] Linking CXX executable resMolSupplierTest
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+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolOrganometallicsCatch.dir/link.d CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
+[ 53%] Built target graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
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+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o
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-[ 55%] Linking CXX executable testExtendedStereoParsing
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable testGeneralFileReader
+[ 54%] Linking CXX executable nontetrahedralCatch
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o
+[ 54%] Linking CXX executable graphmoltestPicklerGlobalSetting
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o
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-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
-[ 55%] Linking CXX executable connectTheDotsTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
-[ 55%] Linking CXX executable testMolWriter
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable molBundleTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
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-[ 55%] Linking CXX executable depictorCatch
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-[ 55%] Built target connectTheDotsTest
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Built target testGeneralFileReader
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
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-[ 55%] Built target testMolWriter
+[ 54%] Built target nontetrahedralCatch
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+make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -MF CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o.d -o CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp
-[ 55%] Linking CXX executable XYZFileParserCatchTest
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-[ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molBundleTest.dir/link.d CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -o molBundleTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 56%] Built target depictorCatch
-[ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
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-[ 56%] Built target XYZFileParserCatchTest
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+[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
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-[ 56%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
+[ 54%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
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-[ 56%] Linking CXX executable v2MolSuppliers
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+[ 54%] Linking CXX executable testUFFForceField
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target v2MolSuppliers
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+[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
+[ 54%] Linking CXX executable hanoiTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
+[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+[ 54%] Linking CXX executable pickleTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickleTestsCatch.dir/link.txt --verbose=1
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/catch_tests.cpp
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-[ 56%] Linking CXX executable graphmolTestsCatch
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/catch_tests.cpp
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-[ 56%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
+[ 54%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
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-[ 56%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
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-[ 57%] Linking CXX executable molfileStereoCatchTest
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-[ 57%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o -MF CMakeFiles/testFragCatalog.dir/test1.cpp.o.d -o CMakeFiles/testFragCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/test1.cpp
-[ 57%] Linking CXX executable v2FileParsersCatchTest
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-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o
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-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
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-[ 57%] Built target multithreadedSupplierCatchTest
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+[ 54%] Linking CXX executable canonTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
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-[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
+[ 54%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/canonTestsCatch.dir/link.d CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Linking CXX executable connectTheDotsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
+[ 54%] Built target canonTestsCatch
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Linking CXX executable XYZFileParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable testDepictor
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1
+[ 55%] Built target connectTheDotsTest
+[ 55%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 55%] Built target testDepictor
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake "--color="
+[ 55%] Built target XYZFileParserCatchTest
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
+[ 55%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
+[ 55%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/test1.cpp
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
-[ 57%] Linking CXX executable testPropertyLists
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target testPropertyLists
+[ 55%] Linking CXX executable graphmolAdjustQueryCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable v2FileParsersCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1
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-[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
+[ 55%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
-[ 57%] Linking CXX executable smiTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target smiTestCatch
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-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
-[ 57%] Linking CXX executable filterCatalogTest
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target filterCatalogTest
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 56%] Built target v2MolSuppliers
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MQN.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 56%] Built target testSGroup
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Property.cpp
+[ 56%] Linking CXX executable multithreadedSupplierCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1
+[ 56%] Linking CXX executable testMolWriter
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/multithreadedSupplierCatchTest.dir/link.d CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -o multithreadedSupplierCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 56%] Built target multithreadedSupplierCatchTest
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 56%] Built target testMolWriter
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
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-[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
+[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
-[ 57%] Linking CXX executable testFragCatalog
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
+[ 56%] Linking CXX executable cdxmlParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
+[ 57%] Linking CXX executable molfileStereoCatchTest
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target testFragCatalog
-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
-[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
-[ 57%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
-[ 57%] Linking CXX executable testMHFPFingerprint
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 57%] Built target cdxmlParserCatchTest
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AtomFeat.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target testMHFPFingerprint
+[ 58%] Built target molfileStereoCatchTest
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/OxidationNumbers.cpp
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o -MF CMakeFiles/Descriptors.dir/DCLV.cpp.o.d -o CMakeFiles/Descriptors.dir/DCLV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/DCLV.cpp
+[ 59%] Linking CXX executable testMMFFForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1
+[ 59%] Linking CXX executable testMHFPFingerprint
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 59%] Built target testMHFPFingerprint
+[ 59%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/catch_tests.cpp
+[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/EEM.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceField.dir/link.d CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 59%] Built target testMMFFForceField
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-[ 58%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
+[ 60%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
-[ 58%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
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-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
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-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
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-[ 59%] Linking CXX executable testChemTransforms
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-[ 59%] Linking CXX executable substructTestCatch
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 60%] Linking CXX executable testFragCatalog
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
+[ 60%] Linking CXX executable filterCatalogTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
+[ 60%] Linking CXX executable graphmolTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target testChemTransforms
+[ 60%] Built target testFragCatalog
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PBF.cpp
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o -MF CMakeFiles/Descriptors.dir/PMI.cpp.o.d -o CMakeFiles/Descriptors.dir/PMI.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PMI.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 60%] Built target filterCatalogTest
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
+[ 60%] Built target graphmolTest1
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o -MF CMakeFiles/Descriptors.dir/RDF.cpp.o.d -o CMakeFiles/Descriptors.dir/RDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/RDF.cpp
+[ 60%] Linking CXX executable testPropertyLists
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
+[ 60%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructTestCatch.dir/link.d CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target substructTestCatch
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o -MF CMakeFiles/Descriptors.dir/MORSE.cpp.o.d -o CMakeFiles/Descriptors.dir/MORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MORSE.cpp
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target fileParsersTest1
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
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-[ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
+[ 60%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
-[ 59%] Linking CXX executable molTransformsTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
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+[ 60%] Linking CXX executable testMolSupplier
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
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-[ 59%] Built target molTransformsTestCatch
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
+[ 61%] Built target testMolSupplier
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
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-[ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
+[ 61%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
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-[ 59%] Linking CXX executable fpGenTestCatch
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/GETAWAY.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -MF CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o.d -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -MF CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o.d -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
-[ 62%] Linking CXX executable testCrystalForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_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.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 62%] Built target testCrystalForceField
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-[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
-[ 63%] Linking CXX executable testMMFFForceFieldHelpers
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-[ 63%] Built target testMMFFForceFieldHelpers
+[ 63%] Built target graphmoltestPickler
+[ 63%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
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+[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o -MF CMakeFiles/FMCS.dir/Seed.cpp.o.d -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.cpp
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-[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
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-[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
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-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
-[ 64%] Linking CXX executable molAlignCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 64%] Built target molAlignCatchTest
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-[ 64%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
+[ 63%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
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-[ 64%] Linking CXX executable testShapeHelpers
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
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-[ 64%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
+[ 63%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
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-[ 64%] Linking CXX executable testMolAlign
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+[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
+[ 64%] Linking CXX executable testSubstructMatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubstructMatch.dir/link.d CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 64%] Built target testMolAlign
+[ 64%] Built target testSubstructMatch
+[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
 [ 64%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalCluster.cpp
-[ 64%] Linking CXX executable testUFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
-[ 64%] Linking CXX executable testMolCatalog
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
+[ 65%] Linking CXX executable forceFieldHelpersCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Linking CXX executable substructTestCatch
+[ 65%] Built target forceFieldHelpersCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructTestCatch.dir/link.d CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Built target testUFFForceFieldHelpers
+[ 65%] Built target substructTestCatch
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.cpp
+[ 65%] Linking CXX executable molTransformsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Built target molTransformsTestCatch
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
+[ 65%] Linking CXX executable testMolTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
+[ 65%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Built target testMolTransforms
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp
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-[ 66%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
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-[ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
-[ 66%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/PositionVariation.cpp
-[ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
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-[ 67%] Linking CXX executable distGeomHelpersCatch
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-[ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
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-[ 68%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
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+[ 66%] Linking CXX executable testChemTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 69%] Built target molHashCatchTest
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+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
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-[ 69%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
+[ 66%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -MF CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o.d -o CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/trajectoryTest.cpp
-[ 69%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
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-[ 69%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
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-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
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-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
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-[ 69%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
-[ 69%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
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-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
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-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.6 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
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-[ 69%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
+[ 66%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
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+[ 66%] Linking CXX executable testShapeHelpers
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 66%] Built target testShapeHelpers
+[ 66%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
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+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
+[ 66%] Linking CXX executable molAlignCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
+[ 66%] Linking CXX executable chemTransformsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 66%] Built target molAlignCatchTest
+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chemTransformsTestCatch.dir/link.d CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -o chemTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 66%] Linking CXX executable smiTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
+[ 66%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.cpp
+[ 66%] Built target chemTransformsTestCatch
 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-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
+[ 66%] Linking CXX executable testMolAlign
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
+[ 66%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -MF CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o.d -o CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/molinterchange_catch.cpp
-[ 69%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.6 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp
+[ 66%] Linking CXX executable testMolCatalog
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 69%] Built target Deprotect
+[ 66%] Built target testMolAlign
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-[ 69%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
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-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
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-[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolops.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
+[ 66%] Built target smiTest1
+[ 66%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -MF CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o.d -o CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/catch_tests.cpp
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
-[ 70%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
+[ 66%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
+[ 66%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
+[ 66%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
+[ 66%] Linking CXX executable testMMFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
+[ 66%] Linking CXX executable fpTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 70%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o
+[ 66%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
+[ 66%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ChiralityOps.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolProcessing_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLPROCESSING_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -MF CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o.d -o CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/MolProcessing.cpp
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpTestCatch.dir/link.d CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target MolEnumerator
+[ 66%] Built target fpTestCatch
 make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/depend
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 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/DependInfo.cmake "--color="
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-[ 70%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o
+[ 66%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o -MF CMakeFiles/testMIF.dir/testMIF.cpp.o.d -o CMakeFiles/testMIF.dir/testMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/testMIF.cpp
-In file included from /usr/include/c++/14/vector:62,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
-In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
-    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
-    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
-    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
-    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
-    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
-    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
-    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
-  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
-      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In file included from /usr/include/x86_64-linux-gnu/c++/14/bits/c++allocator.h:33,
-                 from /usr/include/c++/14/bits/allocator.h:46,
-                 from /usr/include/c++/14/vector:63:
-In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
-    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
-    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
-  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
-      |                                                       ^
-[ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
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-[ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
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-[ 70%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
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-[ 70%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
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-[ 70%] Linking CXX executable molInterchangeCatchTest
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+[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
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+[ 67%] Linking CXX executable smiTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
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-[ 70%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
+[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
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-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
-[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so
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-[ 70%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
+[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -MF CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp
-[ 70%] Built target MolProcessing
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 67%] Built target Deprotect
+[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
+[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
+[ 67%] Linking CXX executable trajectoryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
+[ 68%] Linking CXX executable molHashCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 68%] Built target trajectoryTest
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-[ 70%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
+[ 68%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/catch_tests.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molHashCatchTest.dir/link.d CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 70%] Built target RascalMCES
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-[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o
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+[ 68%] Linking CXX executable testFingerprintGenerators
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+[ 68%] Linking CXX executable testUFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
+[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 68%] Built target testFingerprintGenerators
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color="
+[ 68%] Built target testUFFForceFieldHelpers
+make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test.cpp
-[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.cpp
-[ 70%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
-[ 70%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
+[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 68%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
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+[ 68%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
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+[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
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+[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
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+[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 69%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so
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+[ 69%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 69%] Built target distGeomHelpersCatch
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
+[ 69%] Linking CXX executable graphmolTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so
+[ 69%] Linking CXX executable molInterchangeTest1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 69%] Built target MolProcessing
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.6 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target FMCS
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTestsCatch.dir/link.d CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target graphmolTestsCatch
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
+[ 70%] Built target molInterchangeTest1
+[ 70%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
+[ 70%] Linking CXX executable testFingerprints
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target testFingerprints
+make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -MF CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o.d -o CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/processing_tests.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
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+[ 70%] Linking CXX executable testReactionFingerprints
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReactionFingerprints.dir/link.d CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -o testReactionFingerprints  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Linking CXX executable molInterchangeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
+[ 70%] Built target testReactionFingerprints
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
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 [ 70%] Linking CXX executable testAbbreviations
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1
+[ 70%] Linking CXX executable chiralityTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Linking CXX executable testMMPA
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
+[ 70%] Built target molInterchangeCatchTest
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAbbreviations.dir/link.d CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -o testAbbreviations  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Linking CXX executable testDistGeomHelpers
+[ 70%] Built target testMMPA
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
 [ 70%] Built target testAbbreviations
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target chiralityTestsCatch
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeomHelpers.dir/link.d CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target testDistGeomHelpers
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
+make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build
+make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
-[ 70%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
+[ 70%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolProcessing_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp
+[ 70%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
+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-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/testFMCS_Unit.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
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+[ 70%] Built target MolEnumerator
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
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+[ 71%] Linking CXX executable testEnumeration
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+[ 71%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1
-[ 70%] Linking CXX executable testMIF
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
+[ 71%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
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+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
+[ 71%] Linking CXX executable testMIF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target SynthonSpaceSearch
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
+[ 71%] Built target SynthonSpaceSearch
+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target RascalMCES
+make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color="
+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
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 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target testMIF
+[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
+[ 71%] Linking CXX executable deprotectTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
+[ 71%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target testMIF
+make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/deprotectTest.dir/link.d CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target deprotectTest
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
+[ 73%] Linking CXX executable testMolProcessing
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Descriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2024.09.6 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Built target Descriptors
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
+[ 73%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
+[ 73%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
+[ 73%] Built target testMolProcessing
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
+make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
+[ 73%] Linking CXX executable fileParsersTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
+[ 73%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Built target fileParsersTest1
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test.cpp
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/DependInfo.cmake "--color="
+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testATF.cpp
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/DependInfo.cmake "--color="
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-[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testATF.cpp
-[ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testBCUT.cpp
-[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
+In file included from /usr/include/c++/14/vector:62,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
+In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
+    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
+    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
+    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
+    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
+    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
+    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
+    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
+  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
+      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In file included from /usr/include/x86_64-linux-gnu/c++/14/bits/c++allocator.h:33,
+                 from /usr/include/c++/14/bits/allocator.h:46,
+                 from /usr/include/c++/14/vector:63:
+In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
+    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
+    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
+  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
+      |                                                       ^
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+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
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+[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Built target testMORSE
+[ 77%] Built target rdMolProcessing
 make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
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-[ 76%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
+[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
+[ 77%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Built target testRDFcustom
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
+[ 77%] Built target rdDeprotect
+[ 77%] Linking CXX executable testRascalCluster
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
-[ 76%] Linking CXX executable testWHIM
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
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+[ 77%] Built target testRascalCluster
+[ 77%] Linking CXX executable testATF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Built target testWHIM
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
+[ 77%] Built target testATF
+[ 77%] Linking CXX executable testBCUT
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBCUT.dir/link.d CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
-[ 76%] Linking CXX executable testAUTOCORR3D
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 77%] Built target testBCUT
+[ 77%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Linking CXX executable testGETAWAY
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1
-[ 76%] Built target testAUTOCORR3D
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
+[ 77%] Built target MolStandardize
+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Linking CXX executable testCoulombMat
-[ 76%] Built target testGETAWAY
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend
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-[ 76%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.cpp
-[ 76%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
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-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MarvinParser.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/DependInfo.cmake "--color="
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/DependInfo.cmake "--color="
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-[ 76%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
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-[ 76%] Linking CXX executable moldraw2DRxnTest1
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-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
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-[ 76%] Built target moldraw2DRxnTest1
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
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+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build
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+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
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-[ 76%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
-[ 76%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
-[ 76%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 76%] Built target rdmolops
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-[ 77%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
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-[ 78%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
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+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testCharge.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
-[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
-[ 78%] Linking CXX executable rxnTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 78%] Built target rxnTestCatch
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
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+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
-[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
-[ 78%] Linking CXX executable testMMPA
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
-[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
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+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test2.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testPipeline.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testTautomer.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/catch_tests.cpp
+[ 78%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
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 [ 78%] Linking CXX executable FMCStest
+[ 78%] Linking CXX executable testAUTOCORR2D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
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-[ 78%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
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-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
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-[ 79%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
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+[ 78%] Built target testAUTOCORR2D
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
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+[ 79%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
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+[ 79%] Linking CXX executable testPBF
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
+[ 79%] Linking CXX executable testGETAWAY
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+[ 79%] Linking CXX executable testRDF
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-[ 79%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
-[ 79%] Linking CXX executable testRascalCluster
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 79%] Built target testRascalCluster
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 79%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
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-[ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
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+[ 80%] Linking CXX executable testWHIM
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
+[ 80%] Built target testPBF
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDF.dir/link.d CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target rdFMCS
+[ 80%] Built target testRDF
+[ 80%] Built target testEEM
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target testWHIM
+[ 80%] Linking CXX executable testAUTOCORR3D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
+[ 80%] Linking CXX executable graphmolMolOpsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target testAUTOCORR3D
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMolOpsTest.dir/link.d CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target graphmolMolOpsTest
+[ 80%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
+[ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
+[ 80%] Built target MarvinParser
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
-[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
-[ 80%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
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-[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
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-[ 81%] Linking CXX executable deprotectTest
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build
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+make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build
+[ 80%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
+[ 80%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
+[ 81%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -MF CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o.d -o CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/generic_tests.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
-[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
+[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/catch_tests.cpp
+[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
+[ 82%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
+[ 82%] Linking CXX executable testRDFcustom
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Built target rdRascalMCES
-make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
+[ 82%] Built target rdRascalMCES
+[ 82%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Table.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
-[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
+[ 82%] Built target testRDFcustom
+[ 82%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
+[ 82%] Linking CXX executable test3D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 82%] Built target test3D
+[ 82%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
+[ 82%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1
+[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o  ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Built target rdSynthonSpaceSearch
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/DependInfo.cmake "--color="
+[ 83%] Built target rdSynthonSpaceSearch
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -MF CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o.d -o CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/processing_tests.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-[ 81%] Linking CXX executable testRascalMCES
+[ 83%] Built target rdMolEnumerator
+[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Mol.cpp
+[ 83%] Linking CXX executable molStandardizeSmallTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 83%] Built target molStandardizeSmallTest
+[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
+[ 83%] Linking CXX executable testRascalMCES
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
+[ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Built target testRascalMCES
-[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
-[ 81%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Built target MolStandardize
-[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
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+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Built target rdMolDescriptors
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
-make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 85%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
+[ 85%] Built target testRascalMCES
+[ 85%] Built target rdFMCS
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 81%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolProcessing_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp
-[ 81%] Linking CXX executable moldraw2DTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
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-[ 81%] Built target moldraw2DTest1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 82%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
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-[ 82%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 82%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
-[ 82%] Built target rdDeprotect
-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 86%] Linking CXX executable molChargeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
+[ 86%] Built target molNormalizeTest
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MonomerInfo.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target rdMolDraw2D
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 84%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
-[ 84%] Linking CXX executable testMolProcessing
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 84%] Built target testMolProcessing
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/DependInfo.cmake "--color="
+[ 86%] Built target molChargeTest
+[ 86%] Built target molFragmentTest
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
+[ 86%] Built target testFMCS
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
+[ 87%] Linking CXX executable molValidateTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -MF CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o.d -o CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/generic_tests.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
-[ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 87%] Built target molValidateTest
+[ 87%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
+[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
+[ 87%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 86%] Built target rdMolEnumerator
-make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
+[ 88%] Built target rdmolops
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
+[ 88%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1
+[ 88%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 86%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
-[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
+[ 88%] Built target MolDraw2D
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitScaffoldNetwork.so.1 -o ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 89%] Built target ScaffoldNetwork
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDMolSupplier.cpp
-[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
+[ 89%] Built target TautomerQuery
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 89%] Linking CXX executable rxnTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
-[ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
-[ 88%] Linking CXX executable testMolEnumerator
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 89%] Built target rxnTestCatch
+[ 90%] Linking CXX executable testMolEnumerator
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
+[ 90%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 88%] Built target testMolEnumerator
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Mol.cpp
-[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 88%] Built target rdMolProcessing
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 89%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
-[ 89%] Linking CXX executable testReaction
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReaction.dir/link.d CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 90%] Built target testMolEnumerator
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
+[ 90%] Linking CXX executable molStandardizeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 89%] Built target testReaction
+[ 90%] Built target molStandardizeTest
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
+[ 90%] Linking CXX executable testDescriptors
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
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+[ 90%] Linking CXX executable testMrvToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 90%] Built target testGenericGroups
+[ 90%] Built target testMrvToMol
 [ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/PDBWriter.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 90%] Built target testGenericGroups
 [ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
-[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
-[ 90%] Linking CXX executable cxsmilesTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 90%] Built target cxsmilesTest
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-[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/EditableMol.cpp
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
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+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
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-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
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-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
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-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
+[ 91%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
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+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build
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-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
-[ 91%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+[ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
+[ 92%] Linking CXX executable molStandardizePipelineTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Built target TautomerQuery
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color="
+[ 92%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build
-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 92%] Built target molStandardizePipelineTest
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
 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,
@@ -6648,303 +6765,215 @@
 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
    55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
       |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testCharge.cpp
-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test2.cpp
-[ 91%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
-[ 91%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
+[ 93%] Linking CXX executable molTautomerTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
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-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testFragment.cpp
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build
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+[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
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+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
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-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
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-[ 91%] Linking CXX executable molNormalizeTest
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Built target rdmolfiles
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testPipeline.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Built target molNormalizeTest
-make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/depend
+[ 93%] Built target molTautomerTest
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
+[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
+make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
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-make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build
+make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp
-[ 91%] Linking CXX executable molStandardizeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Built target molStandardizeTest
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/depend
+[ 94%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
+[ 94%] Linking CXX executable cxsmilesTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
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 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build
+make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp
-[ 92%] Linking CXX executable molValidateTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
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+[ 94%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Built target molValidateTest
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
+[ 94%] Built target cxsmilesTest
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
 make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend
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+[ 94%] Linking CXX executable molStandardizeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
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-[ 92%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
+[ 94%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
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-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
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-[ 92%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
+[ 94%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
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-[ 92%] Linking CXX executable molStandardizeSmallTest
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-[ 92%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
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-[ 92%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
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-[ 92%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp
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-[ 93%] Built target ScaffoldNetwork
-[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
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-[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
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-[ 94%] Linking CXX executable tautomerQueryTestCatch
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-[ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
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+[ 95%] Linking CXX executable moldraw2DRxnTest1
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+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 94%] Built target tautomerQueryTestCatch
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
+[ 95%] Built target moldraw2DRxnTest1
+[ 95%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
+[ 95%] Linking CXX executable testCIPLabeler
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o  ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 94%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
-[ 95%] Linking CXX executable molStandardizePipelineTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
-[ 95%] Linking CXX executable molTautomerTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
-[ 95%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 95%] Built target rdMolStandardize
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 95%] Built target molStandardizePipelineTest
-make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
+[ 95%] Built target testCIPLabeler
+[ 95%] Linking CXX executable testO3AAlign
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
+[ 95%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
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-make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 95%] Built target testO3AAlign
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 95%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
-[ 95%] Built target molTautomerTest
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
-[ 95%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
-[ 95%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 95%] Built target rdMolDescriptors
+[ 95%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o  ../../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 95%] Built target rdTautomerQuery
-[ 95%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
+[ 95%] Built target rdMolAlign
+[ 95%] Linking CXX executable tautomerQueryTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
 [ 95%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend
+make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend
+make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 95%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
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-[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
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+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build
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+make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build
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-[ 95%] Built target rdchem
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-[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o -MF CMakeFiles/rdkit.dir/low_gist.c.o.d -o CMakeFiles/rdkit.dir/low_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/low_gist.c
+[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
 [ 95%] Building CXX object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o
+[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o -MF CMakeFiles/rdkit.dir/adapter.cpp.o.d -o CMakeFiles/rdkit.dir/adapter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp
-[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_op.c
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
 [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o
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+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
 [ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o
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-[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o
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+[ 95%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
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+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o
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+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_op.c
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
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+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/cache.c
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
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-[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
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-[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o
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-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o CMakeFiles/rdkit.dir/bitstring.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bitstring.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o -MF CMakeFiles/rdkit.dir/rdkit_io.c.o.d -o CMakeFiles/rdkit.dir/rdkit_io.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_io.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rxn_op.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sfp_op.c
-[ 96%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
+[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target rdTautomerQuery
+[ 96%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1
+[ 96%] Linking CXX executable testScaffoldNetwork
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)':
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:38: warning: unused parameter 'data' [-Wunused-parameter]
  1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
@@ -6955,85 +6984,122 @@
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1628:44: warning: unused parameter 'bitFlags' [-Wunused-parameter]
  1628 |                               unsigned int bitFlags) {
       |                               ~~~~~~~~~~~~~^~~~~~~~
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdChemReactions
-[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o  ../../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
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+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o -MF CMakeFiles/gaExample.dir/GaExample.cpp.o.d -o CMakeFiles/gaExample.dir/GaExample.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/GaExample.cpp
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-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o -MF CMakeFiles/gaExample.dir/GaExample.cpp.o.d -o CMakeFiles/gaExample.dir/GaExample.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/GaExample.cpp
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-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/sql
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o
+[ 96%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp
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+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
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+[ 97%] Built target rdScaffoldNetwork
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdchem
+[ 97%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolfiles.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdmolfiles
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdChemReactions
 [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1
-[ 97%] Linking CXX executable generalizedSubstructCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-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-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o  ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 97%] Built target rdGeneralizedSubstruct
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 97%] Linking CXX executable gaExample
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1
+[ 97%] Linking CXX executable testRGroupDecompInternals
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target testScaffoldNetwork
+[ 97%] Built target gaExample
+[ 97%] Linking CXX executable generalizedSubstructCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target testRGroupDecompInternals
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/generalizedSubstructCatch.dir/link.d CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 97%] Built target generalizedSubstructCatch
+[ 97%] Linking CXX shared library librdkit.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o   -L/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/lib  /usr/lib/x86_64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/sql
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/data
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/expected
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdkit
+[ 97%] Linking CXX executable moldraw2DTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target moldraw2DTest1
+[ 97%] Linking CXX executable rgroupCatchTests
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
+[ 97%] Built target rgroupCatchTests
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdMolDraw2D
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdRGroupDecomposition
 [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o  ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
@@ -7045,70 +7111,50 @@
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend
 make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[ 99%] Linking CXX executable rgroupCatchTests
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target rgroupCatchTests
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp
+[ 99%] Linking CXX executable testRGroupDecomp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target rdRGroupDecomposition
+[ 99%] Built target testRGroupDecomp
 [ 99%] Linking CXX executable substructLibraryCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target substructLibraryCatchTest
 [ 99%] Linking CXX executable substructLibraryTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryTest.dir/link.d CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest  ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 99%] Built target substructLibraryTest
+[ 99%] Built target substructLibraryCatchTest
 [ 99%] Linking CXX executable testSynthonSpaceSubstructureSearch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1
 /usr/bin/ld: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `CATCH2_INTERNAL_TEST_20()':
@@ -7116,26 +7162,16 @@
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 99%] Built target testSynthonSpaceSubstructureSearch
-[ 99%] Linking CXX executable testRGroupDecomp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 99%] Linking CXX executable moldraw2DTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
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-[100%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
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@@ -7262,69 +7298,69 @@
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 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol
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 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog
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+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/data
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/tutorial
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/libs
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/data
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DetermineBonds
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Catalogs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/DataStructs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Query
@@ -7342,12 +7378,12 @@
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/RDBoost
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/DistGeom
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Geometry
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Features
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures
@@ -8363,14 +8399,6 @@
 Generating code for file Contrib.h...
 Generating code for file DistanceConstraints.h...
 Generating code for file ForceField.h...
-Generating code for file OopBend.h...
-Generating code for file StretchBend.h...
-Generating code for file PositionConstraint.h...
-Generating code for file PositionConstraint.h...
-Generating code for file PositionConstraint.h...
-Generating code for file TorsionConstraint.h...
-Generating code for file TorsionConstraint.h...
-Generating code for file TorsionConstraint.h...
 Generating code for file AngleBend.h...
 Generating code for file AngleBend.h...
 Generating code for file AngleConstraint.h...
@@ -8383,14 +8411,22 @@
 Generating code for file DistanceConstraint.h...
 Generating code for file DistanceConstraint.h...
 Generating code for file DistanceConstraint.h...
-Generating code for file Inversion.h...
-Generating code for file Inversions.h...
 Generating code for file Nonbonded.h...
 Generating code for file Nonbonded.h...
+Generating code for file OopBend.h...
 Generating code for file Params.h...
 Generating code for file Params.h...
+Generating code for file PositionConstraint.h...
+Generating code for file PositionConstraint.h...
+Generating code for file PositionConstraint.h...
+Generating code for file StretchBend.h...
 Generating code for file TorsionAngle.h...
 Generating code for file TorsionAngle.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file Inversion.h...
+Generating code for file Inversions.h...
 Generating code for file Utils.h...
 Generating code for file Utils.h...
 Generating code for file Grid3D.h...
@@ -8489,6 +8525,8 @@
 Generating code for file RegisterDescriptor.h...
 Generating code for file USRDescriptor.h...
 Generating code for file WHIM.h...
+Generating code for file details.h...
+Generating code for file details.h...
 Generating code for file DetermineBonds.h...
 Generating code for file BoundsMatrixBuilder.h...
 Generating code for file Embedder.h...
@@ -8545,11 +8583,11 @@
 Generating code for file TorsionAngleM6.h...
 Generating code for file TorsionPreferences.h...
 Generating code for file FFConvenience.h...
-Generating code for file MMFF.h...
 Generating code for file AtomTyper.h...
 Generating code for file AtomTyper.h...
 Generating code for file Builder.h...
 Generating code for file Builder.h...
+Generating code for file MMFF.h...
 Generating code for file UFF.h...
 Generating code for file FragCatalogEntry.h...
 Generating code for file FragCatalogUtils.h...
@@ -8608,8 +8646,6 @@
 Generating code for file MolHash.h...
 Generating code for file nmmolhash.h...
 Generating code for file MIFDescriptors.h...
-Generating code for file details.h...
-Generating code for file details.h...
 Generating code for file MolInterchange.h...
 Generating code for file MolOps.h...
 Generating code for file MolPickler.h...
@@ -8808,14 +8844,6 @@
 Generating docs for file Contrib.h...
 Generating docs for file DistanceConstraints.h...
 Generating docs for file ForceField.h...
-Generating docs for file OopBend.h...
-Generating docs for file StretchBend.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file TorsionConstraint.h...
-Generating docs for file TorsionConstraint.h...
-Generating docs for file TorsionConstraint.h...
 Generating docs for file AngleBend.h...
 Generating docs for file AngleBend.h...
 Generating docs for file AngleConstraint.h...
@@ -8828,14 +8856,22 @@
 Generating docs for file DistanceConstraint.h...
 Generating docs for file DistanceConstraint.h...
 Generating docs for file DistanceConstraint.h...
-Generating docs for file Inversion.h...
-Generating docs for file Inversions.h...
 Generating docs for file Nonbonded.h...
 Generating docs for file Nonbonded.h...
+Generating docs for file OopBend.h...
 Generating docs for file Params.h...
 Generating docs for file Params.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file StretchBend.h...
 Generating docs for file TorsionAngle.h...
 Generating docs for file TorsionAngle.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file Inversion.h...
+Generating docs for file Inversions.h...
 Generating docs for file Utils.h...
 Generating docs for file Utils.h...
 Generating docs for file Grid3D.h...
@@ -8934,6 +8970,8 @@
 Generating docs for file RegisterDescriptor.h...
 Generating docs for file USRDescriptor.h...
 Generating docs for file WHIM.h...
+Generating docs for file details.h...
+Generating docs for file details.h...
 Generating docs for file DetermineBonds.h...
 Generating docs for file BoundsMatrixBuilder.h...
 Generating docs for file Embedder.h...
@@ -8990,11 +9028,11 @@
 Generating docs for file TorsionAngleM6.h...
 Generating docs for file TorsionPreferences.h...
 Generating docs for file FFConvenience.h...
-Generating docs for file MMFF.h...
 Generating docs for file AtomTyper.h...
 Generating docs for file AtomTyper.h...
 Generating docs for file Builder.h...
 Generating docs for file Builder.h...
+Generating docs for file MMFF.h...
 Generating docs for file UFF.h...
 Generating docs for file FragCatalogEntry.h...
 Generating docs for file FragCatalogUtils.h...
@@ -9053,8 +9091,6 @@
 Generating docs for file MolHash.h...
 Generating docs for file nmmolhash.h...
 Generating docs for file MIFDescriptors.h...
-Generating docs for file details.h...
-Generating docs for file details.h...
 Generating docs for file MolInterchange.h...
 Generating docs for file MolOps.h...
 Generating docs for file MolPickler.h...
@@ -11206,9 +11242,9 @@
 copying downloadable files... [100%] C++Examples/example16.cpp
 
 copying static files... 
+Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/documentation_options.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/language_data.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/basic.css
-Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/documentation_options.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/sphinxdoc.css
 copying static files: done
 copying extra files... 
@@ -12495,9 +12531,9 @@
 preparing documents... done
 copying assets... 
 copying TeX support files... Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/Makefile
-Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/make.bat
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkjarc
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkrc
+Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/make.bat
 done
 copying assets: done
 processing RDKit.tex... 
@@ -12765,7 +12801,7 @@
 
 resolving references...
 /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:273: WARNING: 'myst' cross-reference target not found: 'building-rdkit-for-development' [myst.xref_missing]
-WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7fb3340ce510>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
+WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7f31a1ff2510>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
 processing RDKit.tex: done
 writing... done
 copying images... [  1%] images/Cc1ccccc1.png
@@ -14893,10 +14929,10 @@
 find /build/reproducible-path/rdkit-202409.6 -name rdchem.so
 /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 PYTHONPATH=/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/:/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib:" dh_auto_test
-	cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20
+	cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 Running tests...
-/usr/bin/ctest --force-new-ctest-process --verbose -j20
+/usr/bin/ctest --force-new-ctest-process --verbose -j42
 UpdateCTestConfiguration  from :/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/DartConfiguration.tcl
 Parse Config file:/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/DartConfiguration.tcl
  Add coverage exclude regular expressions.
@@ -15030,193 +15066,6 @@
 20: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/geometryTestsCatch
 20: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry
 20: Test timeout computed to be: 1500
-3: [21:51:48] Testing Github940: property dictionaries leaking memory
-3: [21:51:48] 	done
-3: Testing RDValue
-3: Testing RDAny
-3: dict set int vect
-3: dict get int vect
-3: static boost any:0.000739 s
-3: dynamic boost any:0.002042 s
-3: static RDAny:0.000274 s
-3: dynamic RDAny:0.002219 s
-3: static RDValue:0 s
-3: dynamic RDValue:0.000452 s
-3: deleted!
-3: [21:51:48] -------------------------------------
-3: [21:51:48] Testing String Pickle Roundtrips.
-3: [21:51:48] 	done
-3: [21:51:48] -------------------------------------
-3: [21:51:48] Testing conversion of vect to string.
-3: [21:51:48] 	done
-3: [21:51:48] -------------------------------------
-3: [21:51:48] Testing returning const references.
-3: [21:51:48] any cast
-3: [21:51:48] done: 0.001598 300000
-3: [21:51:48] copy
-3: [21:51:48] done: 0.001554 300000
-3: [21:51:48] ref
-3: [21:51:48] done: 0.001676 300000
-3: [21:51:48] dict
-3: [21:51:48] done: 0.004381 300000
-3: [21:51:48] ref with hasVal
-3: [21:51:48] done: 0.002501 300000
-3: [21:51:48] 	done
-3: [21:51:48] -------------------------------------
-3: [21:51:48] Testing dict update.
-3: [21:51:48] 	done
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-3: deleted!
-4: -- running tests -- 
-4: min: -2147483648 -2147483648
-4: min: 0 0
-4: min: 2.22507e-308 2.22507e-308
-4: min: 1.17549e-38 1.17549e-38
-4: min: 0 0
-4: == int
-4: == double
-4: == float
-4: == unsigned int
-4: == bool
-4: == std::string
-5: [21:51:48] 
-5: -----------------------------------------
-5: [21:51:48] Finished: testPushAndPop() 
-5: [21:51:48] 
-5: -----------------------------------------
-5: [21:51:48] 
-5: -----------------------------------------
-6: Randomness seeded to: 1571958427
-6: ===============================================================================
-6: All tests passed (32 assertions in 2 test cases)
-6: 
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: Randomness seeded to: 4164317599
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: [21:51:48] should not be silent
-7: ===============================================================================
-7: All tests passed (26 assertions in 3 test cases)
-7: 
-8: [21:51:48] pass
-8: [21:51:48] v3 4
-8: [21:51:48] v4 5
-8: [21:51:48]  SPARSE -----------------------------------
-8: [21:51:48] Set 10: 0
-8: [21:51:48] Set 11: 0
-8: [21:51:48] Set 14: 0
-8: [21:51:48] Set 10: 1
-8: [21:51:48] Get 14: 1
-8: [21:51:48] Num: 20
-8: [21:51:48] NumOn: 3
-8: [21:51:48] NumOff: 17
-8: 10, 11, 14, 
-8: [21:51:48] t2[19]: 0
-8: [21:51:48] t2[14]: 1
-8: [21:51:48] t2[19]: 0
-8: [21:51:48] t2[14]: 0
-8: t1: 10, 11, 14, 
-8: t2: 10, 11, 15, 17, 
-8: t1|t2: 10, 11, 14, 15, 17, 
-8: t1&t2: 10, 11, 
-8: t1^t2: 14, 15, 17, 
-8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-8:  except 
-8: [21:51:48]  Explicit ----------------------------------
-8: [21:51:48] Set 10: 0
-8: [21:51:48] Set 11: 0
-8: [21:51:48] Set 14: 0
-8: [21:51:48] Set 10: 1
-8: [21:51:48] Get 14: 1
-8: [21:51:48] Num: 20
-8: [21:51:48] NumOn: 3
-8: [21:51:48] NumOff: 17
-8: 10, 11, 14, 
-8: [21:51:48] t2[19]: 0
-8: [21:51:48] t2[14]: 1
-8: [21:51:48] t2[19]: 0
-8: [21:51:48] t2[14]: 0
-8: t1: 10, 11, 14, 
-8: t2: 10, 11, 15, 17, 
-8: t1|t2: 10, 11, 14, 15, 17, 
-8: t1&t2: 10, 11, 
-8: t1^t2: 14, 15, 17, 
-8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
-8:  except 
-8: [21:51:48]  Done
-8: [21:51:48]  Test DiscreteValue Vectors 1 ----------------------------
-8: [21:51:48] Expected failure: Value out of range
-8: [21:51:48] Expected failure: Value out of range
-8: [21:51:48] Expected failure: Value out of range
-8: [21:51:48] Expected failure: Value out of range
-8: [21:51:48] Expected failure: Value out of range
-8: [21:51:48]  Test DiscreteValue Vectors 2 ------------------------------
-8: [21:51:48]  Test DiscreteValue Vectors 3 ---------------------------
-8: [21:51:48]  Test DiscreteValue Operations -----------------------------
-8: [21:51:48]  Test DiscreteValue Operations 2 -------------------------- 
-8: [21:51:48]  Test SparseIntVect  ------------------------------------
-8: [21:51:48]  Test SparseIntVect Serialization  --------------------------
-8: [21:51:48]  Test BitVect Serialization  -------------------------------
-8: [21:51:48]  Test BitVect to FPS  -------------------------------
-8: [21:51:48]  Test BitVect to binary string  -------------------------------
-8: [21:51:48]  Test Similarity Measures BitVect -------------------------------
-8: [21:51:48]  Test Similarity Measures SparseBitVect -------------------------------
-8: [21:51:48]  Test BitVect with all ones -------------------------------
-8: [21:51:48]  Test Explicit BitVects: Concatenation Operation  -------------------------------
-8: [21:51:48]  Test bitmap operations  -------------------------------
-8: [21:51:48]  Test bitmaps as properties -------------------------------
-8: [21:51:48]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
-8: [21:51:48]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
-8: [21:51:48]  Test RealValue Vectors 2: L1Norm -------------------------------
-8: [21:51:48]  Test RealValue Vectors 3: Pickles -------------------------------
-8: [21:51:48]  Test RealValue Vectors 4: Vector Operations  -------------------------------
-11: Randomness seeded to: 3856891599
-11: ===============================================================================
-11: All tests passed (3 assertions in 1 test case)
-11: 
-17: ****************************************
-17: testPointND
-17: ****************************************
-17: testPointOps3D
-17: ****************************************
-17: testPointOps2D
-17: ****************************************
-17: test12D
-17: ref1: 1.33423 2.82744  ref2: 0.582987 2.5541 
-17: pt1: 2.75154 3.94815  pt2: 4.13284 0.721851 
-17: ****************************************
-17: test23D
-17: ****************************************
-17: test3MatMultiply
-17: Pt1: 1 0 0  Pt2: 2 0 0 
-17: -Pt1: -1 -0 -0 
-17: tp1: 0 0 0  tp2: 0 0 0 
-17: tp1: 0 0 0  tp2: 0 0 0 
-17: tp1: 0 0 3  tp2: 0 0 3 
-17: npt1: 0 0 3  npt2: 0 0 4 
-17: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
-17: ****************************************
-17: testFromQuaternion
-17: ****************************************
-  1/235 Test   #3: testDict ...............................   Passed    0.10 sec
-  2/235 Test   #4: testRDValue ............................   Passed    0.09 sec
-  3/235 Test   #6: dictTestsCatch .........................   Passed    0.09 sec
-  4/235 Test   #7: logTestsCatch ..........................   Passed    0.08 sec
-  5/235 Test   #8: testDataStructs ........................   Passed    0.08 sec
-  6/235 Test   #9: testFPB ................................   Passed    0.07 sec
-  7/235 Test  #10: testMultiFPB ...........................   Passed    0.06 sec
-  8/235 Test  #11: catchDataStructs .......................   Passed    0.06 sec
-  9/235 Test  #17: testTransforms .........................   Passed    0.03 sec
 test 21
         Start  21: testPyGeometry
 
@@ -15271,54 +15120,6 @@
 29: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
 29: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF
 29: Test timeout computed to be: 1500
-22: [21:51:48] -----------------------------------------
-22: [21:51:48] Testing RDNumerics: vectors and matrices Code
-22: [21:51:48] ---------------------------------------
-22: [21:51:48] 	 test1Vector
-22: [21:51:48] ---------------------------------------
-22: [21:51:48] 	 test2Matrix
-22: [21:51:48] ---------------------------------------
-22: [21:51:48] 	 test3SquareMatrix
-22: [21:51:48] ---------------------------------------
-22: [21:51:48] 	 test4SymmMatrix
-24: -----------------------------------------
-24: Testing Alignment Code
-24: ---------------------------------------
-24: 	 testBasic
-24: ---------------------------------------
-24: 	 testTriangle
-24: ---------------------------------------
-24: 	 testFourPts
-24: ---------------------------------------
-24: 	 testReflection
-24: ---------------------------------------
-26: -------------------------------------
-26: Testing linear search.
-26:   done
-26: -------------------------------------
-26: Testing BFGS optimization.
-26:   done
- 10/235 Test  #22: testMatrices ...........................   Passed    0.03 sec
- 11/235 Test  #24: testAlignment ..........................   Passed    0.02 sec
- 12/235 Test  #26: testOptimizer ..........................   Passed    0.02 sec
-18: ***********************************************************
-18: Testing Grid
-18: 	---------------------------------
-18: 	 testUniformGrid1 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGrid2 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGridPickling 
-18: 
-18: 	---------------------------------
-18: 	 testGridOps 
-18: 
-18: 	---------------------------------
-18: 	 testUniformGridIndexing 
-18: 
- 13/235 Test  #18: testGrid ...............................   Passed    0.07 sec
 test 30
         Start  30: pyForceFieldConstraints
 
@@ -15343,98 +15144,60 @@
 33: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
 33: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
 33: Test timeout computed to be: 1500
-28: -------------------------------------
-28: Unit tests for force field basics.
-28:   done
-28: -------------------------------------
-28: Unit tests for basics of UFF bond-stretch terms.
-28:   done
-28: -------------------------------------
-28: Unit tests for UFF bond-stretch terms.
-28:   done
-28: -------------------------------------
-28: Unit tests for basics of UFF angle terms.
-28:   done
-28: -------------------------------------
-28: Unit tests for UFF angle-bend terms.
-28: theta = 3.14159; theta0 = 3.14159
-28: theta = 2.094395, param1.theta0 = 2.094395
-28:   done
-28: -------------------------------------
-28:  Test Simple UFF molecule optimizations.
-28:   done
-28: -------------------------------------
-28: Unit tests for UFF nonbonded terms.
-28:   done
-28: -------------------------------------
-28:  Test UFF torsional terms.
-28:   done
-28: -------------------------------------
-28:  Test UFF Parameter objects
-28: -------------------------------------
-28:  Test Simple UFF molecule optimization, part 2.
-28:   done
-28: -------------------------------------
-28:  Test UFF Torsion Conflicts.
-28: C 0.4783 -0.7477 -0.0753 
-28: C -0.5465 -0.0176 0.3519 
-28: C -0.5114 1.4472 0.0870 
-28: H -1.5201 -0.4838 0.2485 
-28: H 0.4696 1.8363 0.3367 
-28: O -1.2618 1.9423 0.6934 
-28: F -0.7163 1.6298 -0.9622 
-28:   done
-28: -------------------------------------
-28: Unit tests for UFF distance constraint terms.
-28:   done
-28: -------------------------------------
-28: Unit tests for all UFF constraint terms.
-31: ***********************************************************
-31:    test1 
-31: ***********************************************************
-31:    testIssue216 
-31: Rows: 4 Columns: 4
-31:       0      1      1      1
-31:       1      0      1      1
-31:       1      1      0      1
-31:       1      1      1      0
-31: ***********************************************************
-31: 
- 14/235 Test  #31: testDistGeom ...........................   Passed    0.02 sec
 test 34
         Start  34: graphmolcpTest
 
 34: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest
 34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
 34: Test timeout computed to be: 1500
-29: -------------------------------------
-29: Official MMFF validation suite.
-23: Randomness seeded to: 4110739011
-23: ===============================================================================
-23: All tests passed (76 assertions in 3 test cases)
-23: 
-27: Randomness seeded to: 1753016150
-27: ===============================================================================
-27: All tests passed (20 assertions in 2 test cases)
-27: 
- 15/235 Test  #23: testConrec .............................   Passed    0.07 sec
 test 35
         Start  35: graphmolqueryTest
 
 35: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest
 35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
 35: Test timeout computed to be: 1500
- 16/235 Test  #27: ForceFieldsCatch .......................   Passed    0.05 sec
-34: 
-34: 
-34: 
-34: COPY
 test 36
         Start  36: graphmolMolOpsTest
 
 36: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
 36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
 36: Test timeout computed to be: 1500
+test 37
+        Start  37: graphmoltestChirality
+
+37: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
+37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+37: Test timeout computed to be: 1500
+test 38
+        Start  38: graphmoltestPickler
+
+38: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
+38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+38: Test timeout computed to be: 1500
+test 39
+        Start  39: graphmoltestPicklerGlobalSetting
+
+39: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
+39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+39: Test timeout computed to be: 1500
+test 40
+        Start  40: graphmolIterTest
+
+40: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest
+40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+40: Test timeout computed to be: 1500
+test 41
+        Start  41: hanoiTest
+
+41: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest
+41: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+41: Test timeout computed to be: 1500
+test 42
+        Start  42: graphmolMemTest1
+
+42: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1
+42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+42: Test timeout computed to be: 1500
 1: core
 1:      RDKit          2D
 1: 
@@ -15892,6 +15655,761 @@
 1:   2  5  1  0
 1: M  END
 1: 
+3: [06:34:54] Testing Github940: property dictionaries leaking memory
+3: [06:34:54] 	done
+3: Testing RDValue
+3: Testing RDAny
+3: dict set int vect
+3: dict get int vect
+3: static boost any:0.000297 s
+3: dynamic boost any:0.000929 s
+3: static RDAny:0.000132 s
+3: dynamic RDAny:0.00083 s
+3: static RDValue:1e-06 s
+3: dynamic RDValue:0.000161 s
+3: deleted!
+3: [06:34:54] -------------------------------------
+3: [06:34:54] Testing String Pickle Roundtrips.
+3: [06:34:54] 	done
+3: [06:34:54] -------------------------------------
+3: [06:34:54] Testing conversion of vect to string.
+3: [06:34:54] 	done
+3: [06:34:54] -------------------------------------
+3: [06:34:54] Testing returning const references.
+3: [06:34:54] any cast
+3: [06:34:54] done: 0.000728 300000
+3: [06:34:54] copy
+3: [06:34:54] done: 0.000693 300000
+3: [06:34:54] ref
+3: [06:34:54] done: 0.00075 300000
+3: [06:34:54] dict
+3: [06:34:54] done: 0.001569 300000
+3: [06:34:54] ref with hasVal
+3: [06:34:54] done: 0.001322 300000
+3: [06:34:54] 	done
+3: [06:34:54] -------------------------------------
+3: [06:34:54] Testing dict update.
+3: [06:34:54] 	done
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+3: deleted!
+4: -- running tests -- 
+4: min: -2147483648 -2147483648
+4: min: 0 0
+4: min: 2.22507e-308 2.22507e-308
+4: min: 1.17549e-38 1.17549e-38
+4: min: 0 0
+4: == int
+4: == double
+4: == float
+4: == unsigned int
+4: == bool
+4: == std::string
+5: [06:34:54] 
+5: -----------------------------------------
+5: [06:34:54] Finished: testPushAndPop() 
+5: [06:34:54] 
+5: -----------------------------------------
+5: [06:34:54] 
+5: -----------------------------------------
+6: Randomness seeded to: 676651126
+6: ===============================================================================
+6: All tests passed (32 assertions in 2 test cases)
+6: 
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: Randomness seeded to: 2733542274
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: [06:34:54] should not be silent
+7: ===============================================================================
+7: All tests passed (26 assertions in 3 test cases)
+7: 
+8: [06:34:54] pass
+8: [06:34:54] v3 4
+8: [06:34:54] v4 5
+8: [06:34:54]  SPARSE -----------------------------------
+8: [06:34:54] Set 10: 0
+8: [06:34:54] Set 11: 0
+8: [06:34:54] Set 14: 0
+8: [06:34:54] Set 10: 1
+8: [06:34:54] Get 14: 1
+8: [06:34:54] Num: 20
+8: [06:34:54] NumOn: 3
+8: [06:34:54] NumOff: 17
+8: 10, 11, 14, 
+8: [06:34:54] t2[19]: 0
+8: [06:34:54] t2[14]: 1
+8: [06:34:54] t2[19]: 0
+8: [06:34:54] t2[14]: 0
+8: t1: 10, 11, 14, 
+8: t2: 10, 11, 15, 17, 
+8: t1|t2: 10, 11, 14, 15, 17, 
+8: t1&t2: 10, 11, 
+8: t1^t2: 14, 15, 17, 
+8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+8:  except 
+8: [06:34:54]  Explicit ----------------------------------
+8: [06:34:54] Set 10: 0
+8: [06:34:54] Set 11: 0
+8: [06:34:54] Set 14: 0
+8: [06:34:54] Set 10: 1
+8: [06:34:54] Get 14: 1
+8: [06:34:54] Num: 20
+8: [06:34:54] NumOn: 3
+8: [06:34:54] NumOff: 17
+8: 10, 11, 14, 
+8: [06:34:54] t2[19]: 0
+8: [06:34:54] t2[14]: 1
+8: [06:34:54] t2[19]: 0
+8: [06:34:54] t2[14]: 0
+8: t1: 10, 11, 14, 
+8: t2: 10, 11, 15, 17, 
+8: t1|t2: 10, 11, 14, 15, 17, 
+8: t1&t2: 10, 11, 
+8: t1^t2: 14, 15, 17, 
+8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
+8:  except 
+8: [06:34:54]  Done
+8: [06:34:54]  Test DiscreteValue Vectors 1 ----------------------------
+8: [06:34:54] Expected failure: Value out of range
+8: [06:34:54] Expected failure: Value out of range
+8: [06:34:54] Expected failure: Value out of range
+8: [06:34:54] Expected failure: Value out of range
+8: [06:34:54] Expected failure: Value out of range
+8: [06:34:54]  Test DiscreteValue Vectors 2 ------------------------------
+8: [06:34:54]  Test DiscreteValue Vectors 3 ---------------------------
+8: [06:34:54]  Test DiscreteValue Operations -----------------------------
+8: [06:34:54]  Test DiscreteValue Operations 2 -------------------------- 
+8: [06:34:54]  Test SparseIntVect  ------------------------------------
+8: [06:34:54]  Test SparseIntVect Serialization  --------------------------
+8: [06:34:54]  Test BitVect Serialization  -------------------------------
+8: [06:34:54]  Test BitVect to FPS  -------------------------------
+8: [06:34:54]  Test BitVect to binary string  -------------------------------
+8: [06:34:54]  Test Similarity Measures BitVect -------------------------------
+8: [06:34:54]  Test Similarity Measures SparseBitVect -------------------------------
+8: [06:34:54]  Test BitVect with all ones -------------------------------
+8: [06:34:54]  Test Explicit BitVects: Concatenation Operation  -------------------------------
+8: [06:34:54]  Test bitmap operations  -------------------------------
+8: [06:34:54]  Test bitmaps as properties -------------------------------
+8: [06:34:54]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
+8: [06:34:54]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
+8: [06:34:54]  Test RealValue Vectors 2: L1Norm -------------------------------
+8: [06:34:54]  Test RealValue Vectors 3: Pickles -------------------------------
+8: [06:34:54]  Test RealValue Vectors 4: Vector Operations  -------------------------------
+11: Randomness seeded to: 3711263348
+11: ===============================================================================
+11: All tests passed (3 assertions in 1 test case)
+11: 
+17: ****************************************
+17: testPointND
+17: ****************************************
+17: testPointOps3D
+17: ****************************************
+17: testPointOps2D
+17: ****************************************
+17: test12D
+17: ref1: 1.95512 0.770032  ref2: 4.86164 3.34826 
+17: pt1: 0.946516 1.782  pt2: 2.86897 4.03808 
+17: ****************************************
+17: test23D
+17: ****************************************
+17: test3MatMultiply
+17: Pt1: 1 0 0  Pt2: 2 0 0 
+17: -Pt1: -1 -0 -0 
+17: tp1: 0 0 0  tp2: 0 0 0 
+17: tp1: 0 0 0  tp2: 0 0 0 
+17: tp1: 0 0 3  tp2: 0 0 3 
+17: npt1: 0 0 3  npt2: 0 0 4 
+17: Pt1: 0 0 3  Pt2: 6.12323e-17 0 4 
+17: ****************************************
+17: testFromQuaternion
+17: ****************************************
+18: ***********************************************************
+18: Testing Grid
+18: 	---------------------------------
+18: 	 testUniformGrid1 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGrid2 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGridPickling 
+18: 
+18: 	---------------------------------
+18: 	 testGridOps 
+18: 
+18: 	---------------------------------
+18: 	 testUniformGridIndexing 
+18: 
+19: ***********************************************************
+19: Testing RealValueGrid3D
+19: 	---------------------------------
+19: 	 test1UniformRealValueGrid3D 
+19: 
+19: 	---------------------------------
+19: 	 test2UniformRealValueGrid3DPickling 
+19: 
+19: 	---------------------------------
+19: 	 test3UniformRealValueGrid3DIndexing 
+19: 
+19: 	---------------------------------
+19: 	 test4UniformRealValueGrid3DOps 
+19: 
+20: Randomness seeded to: 891950187
+20: ===============================================================================
+20: All tests passed (50 assertions in 5 test cases)
+20: 
+22: [06:34:54] -----------------------------------------
+22: [06:34:54] Testing RDNumerics: vectors and matrices Code
+22: [06:34:54] ---------------------------------------
+22: [06:34:54] 	 test1Vector
+22: [06:34:54] ---------------------------------------
+22: [06:34:54] 	 test2Matrix
+22: [06:34:54] ---------------------------------------
+22: [06:34:54] 	 test3SquareMatrix
+22: [06:34:54] ---------------------------------------
+22: [06:34:54] 	 test4SymmMatrix
+24: -----------------------------------------
+24: Testing Alignment Code
+24: ---------------------------------------
+24: 	 testBasic
+24: ---------------------------------------
+24: 	 testTriangle
+24: ---------------------------------------
+24: 	 testFourPts
+24: ---------------------------------------
+24: 	 testReflection
+24: ---------------------------------------
+26: -------------------------------------
+26: Testing linear search.
+26:   done
+26: -------------------------------------
+26: Testing BFGS optimization.
+26:   done
+  1/235 Test   #3: testDict ...............................   Passed    0.08 sec
+  2/235 Test   #4: testRDValue ............................   Passed    0.08 sec
+  3/235 Test   #6: dictTestsCatch .........................   Passed    0.07 sec
+  4/235 Test   #7: logTestsCatch ..........................   Passed    0.07 sec
+  5/235 Test   #8: testDataStructs ........................   Passed    0.07 sec
+  6/235 Test   #9: testFPB ................................   Passed    0.07 sec
+  7/235 Test  #10: testMultiFPB ...........................   Passed    0.07 sec
+  8/235 Test  #11: catchDataStructs .......................   Passed    0.07 sec
+  9/235 Test  #17: testTransforms .........................   Passed    0.06 sec
+ 10/235 Test  #18: testGrid ...............................   Passed    0.05 sec
+ 11/235 Test  #19: testRealValueGrid ......................   Passed    0.05 sec
+ 12/235 Test  #20: geometryTestsCatch .....................   Passed    0.05 sec
+ 13/235 Test  #22: testMatrices ...........................   Passed    0.05 sec
+ 14/235 Test  #24: testAlignment ..........................   Passed    0.04 sec
+ 15/235 Test  #26: testOptimizer ..........................   Passed    0.04 sec
+test 43
+        Start  43: resMolSupplierTest
+
+43: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest
+43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+43: Test timeout computed to be: 1500
+test 44
+        Start  44: molBundleTest
+
+44: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest
+44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+44: Test timeout computed to be: 1500
+test 45
+        Start  45: testSGroup
+
+45: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup
+45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+45: Test timeout computed to be: 1500
+test 46
+        Start  46: test-valgrind
+
+46: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
+46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+46: Test timeout computed to be: 1500
+test 47
+        Start  47: graphmolTestsCatch
+
+47: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+47: Test timeout computed to be: 1500
+test 48
+        Start  48: graphmolOrganometallicsCatch
+
+48: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
+48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+48: Test timeout computed to be: 1500
+test 49
+        Start  49: graphmolSGroupCatch
+
+49: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
+49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+49: Test timeout computed to be: 1500
+test 50
+        Start  50: graphmolAdjustQueryCatch
+
+50: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
+50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+50: Test timeout computed to be: 1500
+test 51
+        Start  51: chiralityTestsCatch
+
+51: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
+51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+51: Test timeout computed to be: 1500
+test 52
+        Start  52: canonTestsCatch
+
+52: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
+52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+52: Test timeout computed to be: 1500
+test 53
+        Start  53: moliteratorTestsCatch
+
+53: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
+53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+53: Test timeout computed to be: 1500
+test 54
+        Start  54: queryTestsCatch
+
+54: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
+54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+54: Test timeout computed to be: 1500
+test 55
+        Start  55: molbundleTestsCatch
+
+55: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
+55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+55: Test timeout computed to be: 1500
+test 56
+        Start  56: pickleTestsCatch
+
+56: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
+56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+56: Test timeout computed to be: 1500
+test 57
+        Start  57: tableTestsCatch
+
+57: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/tableTestsCatch
+57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+57: Test timeout computed to be: 1500
+28: -------------------------------------
+28: Unit tests for force field basics.
+28:   done
+28: -------------------------------------
+28: Unit tests for basics of UFF bond-stretch terms.
+28:   done
+28: -------------------------------------
+28: Unit tests for UFF bond-stretch terms.
+28:   done
+28: -------------------------------------
+28: Unit tests for basics of UFF angle terms.
+28:   done
+28: -------------------------------------
+28: Unit tests for UFF angle-bend terms.
+28: theta = 3.14159; theta0 = 3.14159
+28: theta = 2.094395, param1.theta0 = 2.094395
+28:   done
+28: -------------------------------------
+28:  Test Simple UFF molecule optimizations.
+28:   done
+28: -------------------------------------
+28: Unit tests for UFF nonbonded terms.
+28:   done
+28: -------------------------------------
+28:  Test UFF torsional terms.
+28:   done
+28: -------------------------------------
+28:  Test UFF Parameter objects
+28: -------------------------------------
+28:  Test Simple UFF molecule optimization, part 2.
+28:   done
+28: -------------------------------------
+28:  Test UFF Torsion Conflicts.
+28: C 0.4783 -0.7477 -0.0753 
+28: C -0.5465 -0.0176 0.3519 
+28: C -0.5114 1.4472 0.0870 
+28: H -1.5201 -0.4838 0.2485 
+28: H 0.4696 1.8363 0.3367 
+28: O -1.2618 1.9423 0.6934 
+28: F -0.7163 1.6298 -0.9622 
+28:   done
+28: -------------------------------------
+28: Unit tests for UFF distance constraint terms.
+28:   done
+28: -------------------------------------
+28: Unit tests for all UFF constraint terms.
+28:   done
+28: -------------------------------------
+28: Unit tests for copying UFF ForceFields.
+28:   done
+28: -------------------------------------
+28: Unit test for UFF butane scan.
+23: Randomness seeded to: 3760147162
+23: ===============================================================================
+23: All tests passed (76 assertions in 3 test cases)
+23: 
+ 16/235 Test  #23: testConrec .............................   Passed    0.10 sec
+27: Randomness seeded to: 2169208548
+27: ===============================================================================
+27: All tests passed (20 assertions in 2 test cases)
+27: 
+ 17/235 Test  #27: ForceFieldsCatch .......................   Passed    0.09 sec
+29: -------------------------------------
+29: Official MMFF validation suite.
+31: ***********************************************************
+31:    test1 
+31: ***********************************************************
+31:    testIssue216 
+31: Rows: 4 Columns: 4
+31:       0      1      1      1
+31:       1      0      1      1
+31:       1      1      0      1
+31:       1      1      1      0
+31: ***********************************************************
+31: 
+ 18/235 Test  #31: testDistGeom ...........................   Passed    0.09 sec
+33: Atoms:
+33: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 
+33: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 
+33: 	2 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: 
+33: 	3 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
+33: 	4 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
+33: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 
+33: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 
+33: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb:  arom?: 1 query: AtomAtomicNum
+33: 	8 22 Ti chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+33: Bonds:
+33: 	0 0->1 order: 1
+33: 	1 1->2 order: 2
+33: 	2 2->3 order: 1
+33: 	3 0->4 order: 1
+33: 	4 5->6 order: 3
+33: 	5 6->7 order: 1
+33: 	6 7->8 order: 2
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x00005557E133704C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E1331081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x00005557E1325312 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E1331081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: attempt to add self-bond
+33: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: atomIdx1 != atomIdx2
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x00005557E13254F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E1331081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp
+33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x00005557E1325535 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E1331081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: attempt to add self-bond
+33: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp
+33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x00005557E1325668 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E1331081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] Explicit valence for atom # 0 B, 4, is greater than permitted
+33: [06:34:54] Explicit valence for atom # 0 B, 4, is greater than permitted
+33: [06:34:54] 
+33: 
+33: ****
+33: Post-condition Violation
+33: Element 'Xx' not found
+33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+33: Failed Expression: anum > -1
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x00005557E1359987 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00005557E13424FD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00005557E1331090 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  8# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test github381: thread-safe initialization of the periodic table
+33: [06:34:54]   done
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x00005557E134FB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x00005557E13310BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x00005557E13309BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x00005557E13310BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54]   done
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x00005557E134FB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x00005557E13310C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x00005557E13309BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x00005557E13310C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F47CE033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x00005557E1331121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [06:34:54]   done
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test github1453: RWMol.clear() should reset the numBonds count.
+33: [06:34:54]   done
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test range-based for loops.
+33: [06:34:54]   done
+33: [06:34:54] -------------------------------------
+33: [06:34:54]     Test github1642: Atom index type is too low for big molecules.
+34: 
+34: 
+34: 
+34: COPY
+ 19/235 Test  #34: graphmolcpTest .........................   Passed    0.10 sec
+35: [06:34:54] ---------------------- Test1
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test2
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test3
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test4
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test5
+35: [06:34:54] Done!
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test issue 2892580
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test github issue 53: query molecules not matching [R]
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test queries using qualifiers instead of ==
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test extra atom queries
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test extra bond queries
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test num heteroatom neighbor queries
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test atom type queries
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
+35: [06:34:54] Done!
+35: [06:34:54] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
+35: [06:34:54] Done!
+ 20/235 Test  #35: graphmolqueryTest ......................   Passed    0.10 sec
+38: [06:34:54] -------------------------------------
+38: [06:34:54] Testing String Pickle Roundtrips.
+38: [06:34:54] 	done
+38: [06:34:54] -------------------------------------
+38: [06:34:54] Testing reading existing pickle file (v2).
+test 58
+        Start  58: molopsTestsCatch
+
+58: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molopsTestsCatch
+58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+58: Test timeout computed to be: 1500
+test 59
+        Start  59: smiTest1
+
+59: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
+59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+59: Test timeout computed to be: 1500
+test 60
+        Start  60: smiTest2
+
+60: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
+60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+60: Test timeout computed to be: 1500
+test 61
+        Start  61: cxsmilesTest
+
+61: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
+61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+61: Test timeout computed to be: 1500
+test 62
+        Start  62: smaTest1
+
+62: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
+62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+62: Test timeout computed to be: 1500
+36: 1 1 2 
+36: 1 1 1 
+36: 2 1 0.75 
+36: path: 2
+36: [06:34:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [06:34:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [06:34:54] Explicit valence for atom # 0 B, 5, is greater than permitted
+36: [06:34:54] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [06:34:54] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [06:34:54] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [06:34:54] Explicit valence for atom # 1 Si, 7, is greater than permitted
+39: [06:34:54] 	done
+41: [06:34:54] Testing the hanoi sort
+41: [06:34:54] populating vectors
+37: --------------------------
+37: --------------------------
+37: C/C=C/C(C)Cl
+37: [06:34:54] Conflicting single bond directions around double bond at index 2.
+37: [06:34:54]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [06:34:54] Conflicting single bond directions around double bond at index 4.
+37: [06:34:54]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [06:34:54] Conflicting single bond directions around double bond at index 15.
+37: [06:34:54]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [06:34:54] Conflicting single bond directions around double bond at index 2.
+37: [06:34:54]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [06:34:54] Conflicting single bond directions around double bond at index 1.
+37: [06:34:54]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: --------------------------------------------------
 1: cyclosporine a
 1:      RDKit          2D
 1: 
@@ -16252,659 +16770,40 @@
 1:  30 11  1  0
 1: M  END
 1: 
-33: Atoms:
-33: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 
-33: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 
-33: 	2 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: 
-33: 	3 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
-33: 	4 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
-33: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 
-33: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 
-33: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb:  arom?: 1 query: AtomAtomicNum
-33: 	8 22 Ti chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-33: Bonds:
-33: 	0 0->1 order: 1
-33: 	1 1->2 order: 2
-33: 	2 2->3 order: 1
-33: 	3 0->4 order: 1
-33: 	4 5->6 order: 3
-33: 	5 6->7 order: 1
-33: 	6 7->8 order: 2
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000558375EAA04C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EA4081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000558375E98312 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EA4081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: attempt to add self-bond
-33: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: atomIdx1 != atomIdx2
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000558375E984F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EA4081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp
-33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000558375E98535 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EA4081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: attempt to add self-bond
-33: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp
-33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000558375E98668 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EA4081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] Explicit valence for atom # 0 B, 4, is greater than permitted
-33: [21:51:49] Explicit valence for atom # 0 B, 4, is greater than permitted
-33: [21:51:49] 
-33: 
-33: ****
-33: Post-condition Violation
-33: Element 'Xx' not found
-33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-33: Failed Expression: anum > -1
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000558375ECC987 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000558375EB54FD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000558375EA4090 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  6# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  8# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test github381: thread-safe initialization of the periodic table
-33: [21:51:49]   done
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000558375EC2B9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000558375EA40BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000558375EA39BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000558375EA40BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49]   done
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000558375EC2B9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000558375EA40C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000558375EA39BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000558375EA40C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007FD14A030CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000558375EA4121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [21:51:49]   done
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test github1453: RWMol.clear() should reset the numBonds count.
-33: [21:51:49]   done
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test range-based for loops.
-33: [21:51:49]   done
-33: [21:51:49] -------------------------------------
-33: [21:51:49]     Test github1642: Atom index type is too low for big molecules.
-13: ......
-13: ----------------------------------------------------------------------
-13: Ran 6 tests in 0.005s
-13: 
-13: OK
-14: ......
-14: ----------------------------------------------------------------------
-14: Ran 6 tests in 0.002s
-14: 
-14: OK
- 17/235 Test   #1: testCoordGen ...........................   Passed    0.93 sec
- 18/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.86 sec
-test 37
-        Start  37: graphmoltestChirality
-
-37: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
-37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-37: Test timeout computed to be: 1500
-test 38
-        Start  38: graphmoltestPickler
-
-38: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
-38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-38: Test timeout computed to be: 1500
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing String Pickle Roundtrips.
- 19/235 Test  #14: pyRealValueVect ........................   Passed    0.90 sec
-test 39
-        Start  39: graphmoltestPicklerGlobalSetting
-
-39: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
-39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-39: Test timeout computed to be: 1500
-37: --------------------------
-37: --------------------------
-37: C/C=C/C(C)Cl
-19: ***********************************************************
-19: Testing RealValueGrid3D
-19: 	---------------------------------
-19: 	 test1UniformRealValueGrid3D 
-19: 
-19: 	---------------------------------
-19: 	 test2UniformRealValueGrid3DPickling 
-19: 
-19: 	---------------------------------
-19: 	 test3UniformRealValueGrid3DIndexing 
-19: 
-19: 	---------------------------------
-19: 	 test4UniformRealValueGrid3DOps 
-19: 
- 20/235 Test  #19: testRealValueGrid ......................   Passed    0.89 sec
-test 40
-        Start  40: graphmolIterTest
-
-40: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest
-40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-40: Test timeout computed to be: 1500
-36: 1 1 2 
-36: 1 1 1 
-36: 2 1 0.75 
-36: path: 2
-36: [21:51:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-36: [21:51:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-39: [21:51:49] 	done
- 21/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.03 sec
-test 41
-        Start  41: hanoiTest
-
-41: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest
-41: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-41: Test timeout computed to be: 1500
-37: [21:51:49] Conflicting single bond directions around double bond at index 2.
-37: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [21:51:49] Conflicting single bond directions around double bond at index 4.
-37: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [21:51:49] Conflicting single bond directions around double bond at index 15.
-37: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [21:51:49] Conflicting single bond directions around double bond at index 2.
-37: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [21:51:49] Conflicting single bond directions around double bond at index 1.
-37: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
- 22/235 Test  #40: graphmolIterTest .......................   Passed    0.04 sec
-36: [21:51:49] Explicit valence for atom # 0 B, 5, is greater than permitted
-test 42
-        Start  42: graphmolMemTest1
-
-42: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1
-42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-42: Test timeout computed to be: 1500
-36: [21:51:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [21:51:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [21:51:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [21:51:49] Explicit valence for atom # 1 Si, 7, is greater than permitted
-28:   done
-28: -------------------------------------
-28: Unit tests for copying UFF ForceFields.
-41: [21:51:49] Testing the hanoi sort
-41: [21:51:49] populating vectors
-37: --------------------------------------------------
-28:   done
-28: -------------------------------------
-28: Unit test for UFF butane scan.
- 23/235 Test  #37: graphmoltestChirality ..................   Passed    0.12 sec
-test 43
-        Start  43: resMolSupplierTest
-
-43: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest
-43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-43: Test timeout computed to be: 1500
- 24/235 Test  #34: graphmolcpTest .........................   Passed    0.88 sec
- 25/235 Test  #42: graphmolMemTest1 .......................   Passed    0.04 sec
-20: Randomness seeded to: 1734368779
-20: ===============================================================================
-20: All tests passed (50 assertions in 5 test cases)
-20: 
-test 44
-        Start  44: molBundleTest
-
-44: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest
-44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-44: Test timeout computed to be: 1500
-test 45
-        Start  45: testSGroup
-
-45: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup
-45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-45: Test timeout computed to be: 1500
-35: [21:51:49] ---------------------- Test1
-2: ....
-2: ----------------------------------------------------------------------
-2: Ran 4 tests in 0.052s
-2: 
-2: OK
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing reading existing pickle file (v2).
-36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
- 26/235 Test  #20: geometryTestsCatch .....................   Passed    1.01 sec
-test 46
-        Start  46: test-valgrind
-
-46: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
-46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-46: Test timeout computed to be: 1500
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test2
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test3
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test4
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test5
-35: [21:51:49] Done!
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test issue 2892580
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test github issue 53: query molecules not matching [R]
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test queries using qualifiers instead of ==
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test extra atom queries
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test extra bond queries
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test num heteroatom neighbor queries
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test atom type queries
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
-35: [21:51:49] Done!
-35: [21:51:49] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
-35: [21:51:49] Done!
- 27/235 Test  #35: graphmolqueryTest ......................   Passed    0.95 sec
- 28/235 Test  #44: molBundleTest ..........................   Passed    0.07 sec
-test 47
-        Start  47: graphmolTestsCatch
-
-47: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-47: Test timeout computed to be: 1500
-test 48
-        Start  48: graphmolOrganometallicsCatch
-
-48: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
-48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-48: Test timeout computed to be: 1500
-36: [21:51:49] non-ring atom 0 marked aromatic
-36: [21:51:49] non-ring atom 0 marked aromatic
-36: [21:51:49] Conflicting single bond directions around double bond at index 17.
-36: [21:51:49]   BondStereo set to STEREONONE and single bond directions set to NONE.
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
- 29/235 Test   #2: pyCoordGen .............................   Passed    1.17 sec
-36: starting ring finding
-test 49
-        Start  49: graphmolSGroupCatch
-
-49: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
-49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-49: Test timeout computed to be: 1500
- 30/235 Test  #46: test-valgrind ..........................   Passed    0.07 sec
-test 50
-        Start  50: graphmolAdjustQueryCatch
-
-50: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
-50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-50: Test timeout computed to be: 1500
-36: done
-36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
-36: starting sanitization
-25: .....
-25: ----------------------------------------------------------------------
-25: Ran 5 tests in 0.002s
-25: 
-25: OK
-25: Testing Alignment Wrapper code:
-16: .........
-16: ----------------------------------------------------------------------
-16: Ran 9 tests in 0.064s
-16: 
-16: OK
- 31/235 Test  #45: testSGroup .............................   Passed    0.14 sec
-test 51
-        Start  51: chiralityTestsCatch
-
-51: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
-51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-51: Test timeout computed to be: 1500
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing combining molecules using pickles.
-38: Atoms:
-38: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	2 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	3 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	4 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	5 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: SP3
-38: 	6 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: Bonds:
-38: 	0 0->1 order: 1
-38: 	1 1->2 order: 1
-38: 	2 2->0 order: 1
-38: 	3 3->4 order: 1
-38: 	4 4->5 order: 1
-38: 	5 5->6 order: 1
-38: 	6 6->3 order: 1
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Issue164: Roundtrip Pickle Failure.
-15: .........
-15: ----------------------------------------------------------------------
-15: Ran 9 tests in 0.016s
-15: 
-15: OK
-36: done
-36: starting sanitization
-49: Randomness seeded to: 546885556
-49: ===============================================================================
-49: All tests passed (136 assertions in 8 test cases)
-49: 
- 32/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.07 sec
-36: done
-test 52
-        Start  52: canonTestsCatch
-
-52: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
-52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-52: Test timeout computed to be: 1500
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
-47: Randomness seeded to: 1027457664
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 1 N, 6, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [21:51:49] non-ring atom 2 marked aromatic
-47: [21:51:49] non-ring atom 2 marked aromatic
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [21:51:49] Explicit valence for atom # 1 O, 3, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 4 F, 2, is greater than permitted
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Issue219: Pickle Failure with Conformations.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Issue220: Pickle problems with bond stereochemistry.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing query serialization.
-38: [21:51:49] C=[$(C=O)]
-38: [21:51:49] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing radical handling in pickles.
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 2788233.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 3202580.
-38:   mass! 13.0034
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 3316407.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 3496759.
-47: [21:51:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-47: [21:51:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [21:51:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [21:51:49] WARNING: not removing hydrogen atom with wedged bond
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-48: Randomness seeded to: 3406239932
-48: ===============================================================================
-48: All tests passed (62 assertions in 6 test cases)
-48: 
-38: smi match: *C *C
-38: smi match: **=* **=*
-38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
-38: smi match: *OS(=O)OC *OS(=O)OC
-38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
-38: smi match: O=COC=O O=COC=O
-38: smi match: OO OO
-38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
-38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
-38: smi match: nnnOC=O nnnOC=O
- 33/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.14 sec
-38: smi match: *=C=N *=C=N
-38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
-test 53
-        Start  53: moliteratorTestsCatch
-
-53: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
-53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-53: Test timeout computed to be: 1500
-38: smi match: SP(S)=S SP(S)=S
-38: smi match: NP(N)(N)=O NP(N)(N)=O
-38: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
-38: smi match: *CC=O *CC=O
-38: smi match: NNC=O NNC=O
-38: smi match: * *
-38: smi match: C=P C=P
-38: smi match: CC(=N)Cl CC(=N)Cl
-38: smi match: N=O N=O
-38: smi match: ** **
-38: smi match: N=C=N N=C=N
-38: smi match: [C-]#[NH+] [C-]#[NH+]
-38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
-38: smi match: N#CC[OH] N#CC[OH]
-38: smi match: N#CC=O N#CC=O
-38: smi match: N#CS(=O)=O N#CS(=O)=O
-38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
-38: smi match: N#CN=N N#CN=N
-38: smi match: N=NCC=O N=NCC=O
-38: smi match: CCCCCCC CCCCCCC
-38: smi match: OCCOCCO OCCOCCO
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-47: [21:51:49] Unreasonable formal charge on atom # 0.
- 34/235 Test  #16: pyFPB ..................................   Passed    1.23 sec
-test 54
-        Start  54: queryTestsCatch
-
-54: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
-54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-54: Test timeout computed to be: 1500
-38: smi match: SS SS
-38: smi match: [SH] [SH]
-38: smi match: *1CC1 *1CC1
-38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
-38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
-38: smi match: NC(=S)N=N NC(=S)N=N
-38: smi match: N#CS N#CS
-38: smi match: cC[N+] cC[N+]
-38: smi match: C*C=S C*C=S
-38: smi match: N[CH2]C#N N[CH2]C#N
-38: smi match: O=C1CCO1 O=C1CCO1
-38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH]
-38: smi match: O=C1CCN1 O=C1CCN1
-38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1
-38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C
-38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1
-38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
-38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
-38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
-38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
-38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
-38: smi match: cN(=O)~O cN(=O)~O
-38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O
-38: smi match: N~NC=O N~NC=O
-38: smi match: *=N~C *=N~C
-38: smi match: CO*(=O)=O CO*(=O)=O
-38: smi match: * *
-38: smi match: * *
-47: [21:51:49] 
+47: Randomness seeded to: 3688327896
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 1 N, 6, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [06:34:54] non-ring atom 2 marked aromatic
+47: [06:34:54] non-ring atom 2 marked aromatic
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [06:34:54] Explicit valence for atom # 1 O, 3, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 4 F, 2, is greater than permitted
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 6 7 8
+47: [06:34:54] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [06:34:54] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [06:34:54] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [06:34:54] WARNING: not removing hydrogen atom with wedged bond
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] Unreasonable formal charge on atom # 0.
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -16916,20 +16815,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB789A8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579537249A8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -16941,20 +16840,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78A32 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724A32 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -16966,20 +16865,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78AC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724AC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -16991,20 +16890,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78BB0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724BB0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17016,20 +16915,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78C41 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724C41 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17041,20 +16940,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78CDD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724CDD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17066,20 +16965,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB795F9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579537255F9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17091,20 +16990,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78E48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724E48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17116,20 +17015,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB78EE2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x0000557953724EE2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17141,20 +17040,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB795D1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579537255D1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17166,20 +17065,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB791F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579537251F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17191,24 +17090,24 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB795AD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579537255AD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-47: [21:51:49] Explicit valence for atom # 1 F greater than permitted
-47: [21:51:49] 
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+47: [06:34:54] Explicit valence for atom # 1 F greater than permitted
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17220,20 +17119,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Atom::setQuery(Queries::Query<int, RDKit::Atom const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB2210B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579536CE10B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17245,20 +17144,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Atom::expandQuery(Queries::Query<int, RDKit::Atom const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB221A0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579536CE1A0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17270,20 +17169,20 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Bond::setQuery(Queries::Query<int, RDKit::Bond const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB21E30 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579536CDE30 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] 
+47: [06:34:54] 
 47: 
 47: ****
 47: Pre-condition Violation
@@ -17295,34 +17194,328 @@
 47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 47:  2# RDKit::Bond::expandQuery(Queries::Query<int, RDKit::Bond const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x00005636BAB21EC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x00005636BABC5CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x00005636BABC67D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x00005636BABC6C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x00005636BAB982C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x00005636BAB9862C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x00005636BAB1480E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007F4F90430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47:  3# 0x00005579536CDEC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x0000557953771CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005579537727D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x0000557953772C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005579537442C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x000055795374462C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005579536C080E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007FBEB9C33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x00005636BAB14851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 12# 0x00005579536C0851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
 47: ----------
 47: ****
 47: 
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-50: Randomness seeded to: 4188776790
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Unusual charge on atom 0 number of radical electrons set to zero
+47: [06:34:54] Unusual charge on atom 0 number of radical electrons set to zero
+47: [06:34:54] Unusual charge on atom 0 number of radical electrons set to zero
+47: [06:34:54] non-ring atom 0 marked aromatic
+47: [06:34:54] non-ring atom 0 marked aromatic
+47: [06:34:54] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 3 N, 4, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 15 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 11 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [06:34:54] Explicit valence for atom # 9 C, 6, is greater than permitted
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 7
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 3
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 3 7
+47: [06:34:54] Can't kekulize mol.  Unkekulized atoms: 3 7
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [06:34:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+48: Randomness seeded to: 2492710307
+48: ===============================================================================
+48: All tests passed (62 assertions in 6 test cases)
+48: 
+49: Randomness seeded to: 1664261559
+49: ===============================================================================
+49: All tests passed (136 assertions in 8 test cases)
+49: 
+50: Randomness seeded to: 208729798
 50: ===============================================================================
 50: All tests passed (283 assertions in 11 test cases)
 50: 
-36: [21:51:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-36: -------------------------------
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
- 35/235 Test  #15: pySparseIntVect ........................   Passed    1.26 sec
- 36/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.14 sec
+51: Randomness seeded to: 3352507213
+51: [06:34:54]  unable to set wavy bonds for double bonds: 3
+51: [06:34:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+51: [06:34:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+53: Randomness seeded to: 84790609
+53: ===============================================================================
+53: All tests passed (14 assertions in 4 test cases)
+53: 
+54: Randomness seeded to: 2083168711
+54: ===============================================================================
+54: All tests passed (10 assertions in 1 test case)
+54: 
+55: Randomness seeded to: 3406833361
+55: ===============================================================================
+55: All tests passed (6 assertions in 1 test case)
+55: 
+56: Randomness seeded to: 154740896
+56: ===============================================================================
+56: All tests passed (45 assertions in 4 test cases)
+56: 
+57: Randomness seeded to: 240868139
+57: ===============================================================================
+57: All tests passed (7 assertions in 2 test cases)
+57: 
+ 21/235 Test   #1: testCoordGen ...........................   Passed    0.20 sec
+ 22/235 Test  #37: graphmoltestChirality ..................   Passed    0.13 sec
+ 23/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.13 sec
+ 24/235 Test  #40: graphmolIterTest .......................   Passed    0.13 sec
+ 25/235 Test  #42: graphmolMemTest1 .......................   Passed    0.12 sec
+ 26/235 Test  #44: molBundleTest ..........................   Passed    0.11 sec
+ 27/235 Test  #45: testSGroup .............................   Passed    0.11 sec
+ 28/235 Test  #46: test-valgrind ..........................   Passed    0.11 sec
+ 29/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.10 sec
+ 30/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.10 sec
+ 31/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.09 sec
+ 32/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.09 sec
+ 33/235 Test  #54: queryTestsCatch ........................   Passed    0.08 sec
+ 34/235 Test  #55: molbundleTestsCatch ....................   Passed    0.08 sec
+ 35/235 Test  #56: pickleTestsCatch .......................   Passed    0.08 sec
+ 36/235 Test  #57: tableTestsCatch ........................   Passed    0.07 sec
+test 63
+        Start  63: smiTestCatch
+
+63: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+63: Test timeout computed to be: 1500
+test 64
+        Start  64: nontetrahedralCatch
+
+64: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
+64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+64: Test timeout computed to be: 1500
+test 65
+        Start  65: v2smiTestCatch
+
+65: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
+65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+65: Test timeout computed to be: 1500
+test 66
+        Start  66: testDepictor
+
+66: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
+66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
+66: Test timeout computed to be: 1500
+test 67
+        Start  67: depictorCatch
+
+67: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
+67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
+67: Test timeout computed to be: 1500
+test 68
+        Start  68: pyDepictor
+
+68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
+68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap
+68: Test timeout computed to be: 1500
+test 69
+        Start  69: testMrvToMol
+
+69: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse
+69: Test timeout computed to be: 1500
+test 70
+        Start  70: fileParsersTest1
+
+70: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+70: Test timeout computed to be: 1500
+test 71
+        Start  71: testAtropisomers
+
+71: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
+71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+71: Test timeout computed to be: 1500
+test 72
+        Start  72: testSquiggleDoubleBonds
+
+72: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
+72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+72: Test timeout computed to be: 1500
+test 73
+        Start  73: testMolSupplier
+
+73: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+73: Test timeout computed to be: 1500
+test 74
+        Start  74: testGeneralFileReader
+
+74: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
+74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+74: Test timeout computed to be: 1500
+test 75
+        Start  75: testMultithreadedMolSupplier
+
+75: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
+75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+75: Test timeout computed to be: 1500
+test 76
+        Start  76: testMolWriter
+
+76: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
+76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+76: Test timeout computed to be: 1500
+test 77
+        Start  77: testTplParser
+
+77: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
+77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+77: Test timeout computed to be: 1500
+test 78
+        Start  78: testMol2ToMol
+
+78: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
+78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+78: Test timeout computed to be: 1500
+36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
+36: [06:34:55] non-ring atom 0 marked aromatic
+36: [06:34:55] non-ring atom 0 marked aromatic
+36: [06:34:55] Conflicting single bond directions around double bond at index 17.
+36: [06:34:55]   BondStereo set to STEREONONE and single bond directions set to NONE.
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: starting ring finding
+14: ......
+14: ----------------------------------------------------------------------
+14: Ran 6 tests in 0.001s
+14: 
+14: OK
+16: .........
+16: ----------------------------------------------------------------------
+16: Ran 9 tests in 0.003s
+16: 
+16: OK
+15: .........
+15: ----------------------------------------------------------------------
+15: Ran 9 tests in 0.008s
+15: 
+15: OK
+38: [06:34:54] 	done
+38: [06:34:54] -------------------------------------
+38: [06:34:54] Testing combining molecules using pickles.
+38: Atoms:
+38: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	2 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	3 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	4 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	5 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: SP3
+38: 	6 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: Bonds:
+38: 	0 0->1 order: 1
+38: 	1 1->2 order: 1
+38: 	2 2->0 order: 1
+38: 	3 3->4 order: 1
+38: 	4 4->5 order: 1
+38: 	5 5->6 order: 1
+38: 	6 6->3 order: 1
+38: [06:34:54] 	done
+38: [06:34:54] -------------------------------------
+38: [06:34:54] Testing Issue164: Roundtrip Pickle Failure.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing Issue219: Pickle Failure with Conformations.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing Issue220: Pickle problems with bond stereochemistry.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing query serialization.
+38: [06:34:55] C=[$(C=O)]
+38: [06:34:55] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing radical handling in pickles.
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 2788233.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 3202580.
+38:   mass! 13.0034
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 3316407.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 3496759.
+38: smi match: *C *C
+38: smi match: **=* **=*
+38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
+38: smi match: *OS(=O)OC *OS(=O)OC
+38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
+38: smi match: O=COC=O O=COC=O
+38: smi match: OO OO
+38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
+38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
+38: smi match: nnnOC=O nnnOC=O
+38: smi match: *=C=N *=C=N
+38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
+38: smi match: SP(S)=S SP(S)=S
+38: smi match: NP(N)(N)=O NP(N)(N)=O
+38: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
+38: smi match: *CC=O *CC=O
+38: smi match: NNC=O NNC=O
+38: smi match: * *
+38: smi match: C=P C=P
+38: smi match: CC(=N)Cl CC(=N)Cl
+38: smi match: N=O N=O
+38: smi match: ** **
+38: smi match: N=C=N N=C=N
+38: smi match: [C-]#[NH+] [C-]#[NH+]
+38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
+38: smi match: N#CC[OH] N#CC[OH]
+38: smi match: N#CC=O N#CC=O
+38: smi match: N#CS(=O)=O N#CS(=O)=O
+38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
+38: smi match: N#CN=N N#CN=N
+38: smi match: N=NCC=O N=NCC=O
+38: smi match: CCCCCCC CCCCCCC
+38: smi match: OCCOCCO OCCOCCO
+38: smi match: SS SS
+38: smi match: [SH] [SH]
+38: smi match: *1CC1 *1CC1
+38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
+38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
+38: smi match: NC(=S)N=N NC(=S)N=N
+38: smi match: N#CS N#CS
+38: smi match: cC[N+] cC[N+]
+38: smi match: C*C=S C*C=S
+38: smi match: N[CH2]C#N N[CH2]C#N
+38: smi match: O=C1CCO1 O=C1CCO1
+38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH]
+38: smi match: O=C1CCN1 O=C1CCN1
+38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1
+38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C
+38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1
+38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
+38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
+38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
+38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
+38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
+38: smi match: cN(=O)~O cN(=O)~O
+38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O
+38: smi match: N~NC=O N~NC=O
+38: smi match: *=N~C *=N~C
+38: smi match: CO*(=O)=O CO*(=O)=O
+38: smi match: * *
+38: smi match: * *
 38: smi match: *C=C *C=C
 38: smi match: N#CS N#CS
 38: smi match: *C=S *C=S
@@ -17333,18 +17526,6 @@
 38: smi match: O=N(=O)CCO O=N(=O)CCO
 38: smi match: N=CS N=CS
 38: smi match: O=CNC(O)C=O O=CNC(O)C=O
-test 55
-        Start  55: molbundleTestsCatch
-
-55: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
-55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-55: Test timeout computed to be: 1500
-test 56
-        Start  56: pickleTestsCatch
-
-56: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
-56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-56: Test timeout computed to be: 1500
 38: smi match: C=C(C=O)C=O C=C(C=O)C=O
 38: smi match: N=CC=O N=CC=O
 38: smi match: *C(C=O)C=O *C(C=O)C=O
@@ -17375,39 +17556,6 @@
 38: smi match: *C=C(*)C=C *C=C(*)C=C
 38: smi match: C=CC=N C=CC=N
 38: smi match: *N(*)C=C *N(*)C=C
-47: [21:51:49] Unusual charge on atom 0 number of radical electrons set to zero
-47: [21:51:49] Unusual charge on atom 0 number of radical electrons set to zero
-47: [21:51:49] Unusual charge on atom 0 number of radical electrons set to zero
-47: [21:51:49] non-ring atom 0 marked aromatic
-47: [21:51:49] non-ring atom 0 marked aromatic
-47: [21:51:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 3 N, 4, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 15 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 11 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [21:51:49] Explicit valence for atom # 9 C, 6, is greater than permitted
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 7
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 3
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-36: [21:51:49] Explicit valence for atom # 0 N, 4, is greater than permitted
-53: Randomness seeded to: 3445035590
-53: ===============================================================================
-53: All tests passed (14 assertions in 4 test cases)
-53: 
-54: Randomness seeded to: 3306718250
-54: ===============================================================================
-54: All tests passed (10 assertions in 1 test case)
-54: 
-28:   done
- 37/235 Test  #25: pyAlignment ............................   Passed    1.24 sec
- 38/235 Test  #28: testUFFForceField ......................   Passed    1.22 sec
- 39/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.07 sec
- 40/235 Test  #54: queryTestsCatch ........................   Passed    0.05 sec
 38: smi match: C=CN(=O)=O C=CN(=O)=O
 38: smi match: C=CN(O)=O C=CN(O)=O
 38: smi match: C=CO C=CO
@@ -17424,30 +17572,6 @@
 38: smi match: N#CS N#CS
 38: smi match: *CN=O *CN=O
 38: smi match: NCN NCN
-test 57
-        Start  57: tableTestsCatch
-
-57: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/tableTestsCatch
-57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-57: Test timeout computed to be: 1500
-test 58
-        Start  58: molopsTestsCatch
-
-58: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molopsTestsCatch
-58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-58: Test timeout computed to be: 1500
-test 59
-        Start  59: smiTest1
-
-59: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
-59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-59: Test timeout computed to be: 1500
-test 60
-        Start  60: smiTest2
-
-60: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
-60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-60: Test timeout computed to be: 1500
 38: smi match: ON=CCN=O ON=CCN=O
 38: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O
 38: smi match: N=C(N)S N=C(N)S
@@ -17464,6 +17588,63 @@
 38: smi match: *C=N *C=N
 38: smi match: N=CC=O N=CC=O
 38: smi match: N=CS N=CS
+58: Randomness seeded to: 1930167149
+58: ===============================================================================
+58: All tests passed (79 assertions in 6 test cases)
+58: 
+ 37/235 Test  #58: molopsTestsCatch .......................   Passed    0.08 sec
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] WARNING: not removing hydrogen atom without neighbors
+59: [06:34:54] Invalid chiral specification on atom 0
+59: [06:34:54] Invalid chiral specification on atom 0
+59: [06:34:54] Invalid chiral specification on atom 0
+59: [06:34:54] Invalid chiral specification on atom 0
+59: [06:34:54] Invalid chiral specification on atom 0
+59: [06:34:55] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
+59: [06:34:55] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [06:34:54] SMILES Parse Error: syntax error while parsing: -
+60: [06:34:54] SMILES Parse Error: check for mistakes around position 1:
+60: [06:34:54] -
+60: [06:34:54] ^
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [06:34:54] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
+60: [06:34:54] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
+ 38/235 Test  #60: smiTest2 ...............................   Passed    0.07 sec
+test 79
+        Start  79: testSequence
+
+79: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
+79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+79: Test timeout computed to be: 1500
+test 80
+        Start  80: testExtendedStereoParsing
+
+80: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
+80: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+80: Test timeout computed to be: 1500
+36: done
+36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
+36: starting sanitization
 38: smi match: N=C=N N=C=N
 38: smi match: N=C=O N=C=O
 38: smi match: N=C=S N=C=S
@@ -17496,6 +17677,102 @@
 38: smi match: S=CS S=CS
 38: smi match: C=CN(=O)=O C=CN(=O)=O
 38: smi match: C=CN(=O)O C=CN(=O)O
+13: ......
+13: ----------------------------------------------------------------------
+13: Ran 6 tests in 0.003s
+13: 
+13: OK
+51: [06:34:55] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [06:34:55] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [06:34:55] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
+51: ===============================================================================
+51: All tests passed (2267 assertions in 79 test cases)
+51: 
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
+25: .....
+25: ----------------------------------------------------------------------
+25: Ran 5 tests in 0.002s
+25: 
+25: OK
+25: Testing Alignment Wrapper code:
+47: [06:34:55] Explicit valence for atom # 1 O, 3, is greater than permitted
+47: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
+47: [06:34:55] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
+47: [06:34:55] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
+47: [06:34:55] non-ring atom 0 marked aromatic
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+28:   done
+63: Randomness seeded to: 2041067472
+63: [06:34:55] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+63: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [06:34:55] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
+63: [06:34:55] SMARTS Parse Error: unclosed ring for input: 'C1C'
+63: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [06:34:55] SMARTS Parse Error: syntax error while parsing: C)foo
+63: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
+63: [06:34:55] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
+63: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
+63: [06:34:55] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
+64: Randomness seeded to: 3249131374
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+65: Randomness seeded to: 2022052281
+65: ===============================================================================
+65: All tests passed (14 assertions in 2 test cases)
+65: 
+71: [06:34:55]  ---- Running with POSIX locale ----- 
+ 39/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.23 sec
+ 40/235 Test  #14: pyRealValueVect ........................   Passed    0.23 sec
+ 41/235 Test  #15: pySparseIntVect ........................   Passed    0.23 sec
+ 42/235 Test  #16: pyFPB ..................................   Passed    0.22 sec
+ 43/235 Test  #51: chiralityTestsCatch ....................   Passed    0.14 sec
+ 44/235 Test  #65: v2smiTestCatch .........................   Passed    0.04 sec
+test 81
+        Start  81: fileParsersCatchTest
+
+81: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+81: Test timeout computed to be: 1500
+test 82
+        Start  82: testPropertyLists
+
+82: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
+82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+82: Test timeout computed to be: 1500
+test 83
+        Start  83: XYZFileParserCatchTest
+
+83: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
+83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+83: Test timeout computed to be: 1500
+test 84
+        Start  84: cdxmlParserCatchTest
+
+84: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
+84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+84: Test timeout computed to be: 1500
+test 85
+        Start  85: molfileStereoCatchTest
+
+85: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
+85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+85: Test timeout computed to be: 1500
+test 86
+        Start  86: connectTheDotsTest
+
+86: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
+86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+86: Test timeout computed to be: 1500
 38: smi match: N=CC=O N=CC=O
 38: smi match: C=CS C=CS
 38: smi match: SC(S)(S)S SC(S)(S)S
@@ -17587,6 +17864,22 @@
 38: smi match: COS(O)(=O)=O COS(O)(=O)=O
 38: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-]
 38: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-]
+ 45/235 Test  #28: testUFFForceField ......................   Passed    0.22 sec
+73: [06:34:55] 
+73: -----------------------------------------
+74: [06:34:55] 
+74: -----------------------------------------
+74: [06:34:55] Finished: testDetermineFormat()
+74: [06:34:55] -----------------------------------------
+74: 
+74: [06:34:55] 
+74: -----------------------------------------
+test 87
+        Start  87: v2MolSuppliers
+
+87: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
+87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+87: Test timeout computed to be: 1500
 38: smi match: *C(*)(*)C=O *C(*)(*)C=O
 38: smi match: *C(*)(*)C=O *C(*)(*)C=O
 38: smi match: *C(*)C=O *C(*)C=O
@@ -17595,6 +17888,76 @@
 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
 38: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O
 38: smi match: *C[SH](=O)=O *C[SH](=O)=O
+75: [06:34:55] 
+75: -----------------------------------------
+72: Randomness seeded to: 2294096692
+72: ===============================================================================
+72: All tests passed (15 assertions in 3 test cases)
+72: 
+2: ....
+2: ----------------------------------------------------------------------
+2: Ran 4 tests in 0.029s
+2: 
+2: OK
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [06:34:55] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
+64: ===============================================================================
+64: All tests passed (308 assertions in 9 test cases)
+64: 
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+36: done
+36: starting sanitization
+36: done
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
+70: ***************************************
+70: ***************************************
+70: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+32: ......
+32: ----------------------------------------------------------------------
+32: Ran 6 tests in 0.001s
+32: 
+32: OK
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 46/235 Test  #25: pyAlignment ............................   Passed    0.23 sec
+ 47/235 Test  #64: nontetrahedralCatch ....................   Passed    0.07 sec
+ 48/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.05 sec
+ 49/235 Test  #77: testTplParser ..........................   Passed    0.04 sec
+test 88
+        Start  88: v2FileParsersCatchTest
+
+88: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
+88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+88: Test timeout computed to be: 1500
+test 89
+        Start  89: multithreadedSupplierCatchTest
+
+89: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
+89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+89: Test timeout computed to be: 1500
+test 90
+        Start  90: testSubstructMatch
+
+90: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+90: Test timeout computed to be: 1500
+test 91
+        Start  91: substructTestCatch
+
+91: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
+91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+91: Test timeout computed to be: 1500
 38: smi match: * *
 38: smi match: *1CC1 *1CC1
 38: smi match: O=COC=O O=COC=O
@@ -17653,445 +18016,21 @@
 38: smi match: C[OH] C[OH]
 38: smi match: C[CH]=O C[CH]=O
 38: smi match: *=* *=*
+74: [06:34:55] Finished: testSdf()
+74: [06:34:55] -----------------------------------------
+74: 
+74: [06:34:55] 
+74: -----------------------------------------
+74: [06:34:55] Finished: testSmi()
+74: [06:34:55] -----------------------------------------
+74: 
+74: [06:34:55] 
+74: -----------------------------------------
 38: smi match: *C *C
-38: smi match: C#C C#C
-38: smi match: *[CH]C=C *[CH]C=C
-38: smi match: cCC(=O)[OH] cCC(=O)[OH]
-38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
-38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
-38: smi match: C=CC(=O)[OH] C=CC(=O)[OH]
-38: smi match: N#CC(=O)[OH] N#CC(=O)[OH]
-38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O
-38: smi match: *N(*)C*=O *N(*)C*=O
-38: smi match: O=*C[OH] O=*C[OH]
-38: smi match: *=C*=O *=C*=O
-38: smi match: *=CC#N *=CC#N
-38: smi match: *C[OH] *C[OH]
-38: smi match: ** **
-38: smi match: *C[OH] *C[OH]
-38: smi match: *C(*)=O *C(*)=O
-38: smi match: * *
-38: smi match: *CC(=O)[OH] *CC(=O)[OH]
-51: Randomness seeded to: 2274035446
-51: [21:51:49]  unable to set wavy bonds for double bonds: 3
-51: [21:51:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-51: [21:51:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-30: ...[21:51:49] Molecule does not have explicit Hs. Consider calling AddHs()
-47: [21:51:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-36: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-36: [21:51:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: 
-36: [21:51:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-55: Randomness seeded to: 1525278879
-55: ===============================================================================
-55: All tests passed (6 assertions in 1 test case)
-55: 
-21: ....................
-21: ----------------------------------------------------------------------
-21: Ran 20 tests in 0.157s
-21: 
-21: OK
-21: Testing Geometry wrapper
-56: Randomness seeded to: 4282015294
-56: ===============================================================================
-56: All tests passed (45 assertions in 4 test cases)
-56: 
-57: Randomness seeded to: 1269634377
-57: ===============================================================================
-57: All tests passed (7 assertions in 2 test cases)
-57: 
- 41/235 Test  #55: molbundleTestsCatch ....................   Passed    0.11 sec
- 42/235 Test  #57: tableTestsCatch ........................   Passed    0.08 sec
-38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O
-38: smi match: *c *c
-38: smi match: CN(C)c CN(C)c
-38: smi match: c c
-38: smi match: *c *c
-38: smi match: *c *c
-38: smi match: **:*cF **:*cF
-38: smi match: cB([OH])[OH] cB([OH])[OH]
-38: smi match: N~N~N N~N~N
-51: [21:51:49] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-51: [21:51:49] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-test 61
-        Start  61: cxsmilesTest
-
-61: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
-61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-61: Test timeout computed to be: 1500
-test 62
-        Start  62: smaTest1
-
-62: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
-62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-62: Test timeout computed to be: 1500
-38: smi match: *N=N* *N=N*
-38: smi match: *CC[OH] *CC[OH]
-38: smi match: *CC[OH] *CC[OH]
-38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH]
-38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH]
-38: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
-38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
-38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
-38: smi match: *OC(*)=O *OC(*)=O
-38: smi match: *C(=O)[OH] *C(=O)[OH]
-38: smi match: O=C[OH] O=C[OH]
-38: smi match: *OC(=O)O* *OC(=O)O*
-38: smi match: * *
-38: smi match: *OC(=O)Cl *OC(=O)Cl
-38: smi match: *C#N *C#N
-38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
-38: smi match: SS SS
-38: smi match: * *
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: *=* *=*
-38: smi match: C1CO1 C1CO1
-38: smi match: *OC(*)=O *OC(*)=O
-38: smi match: * *
-38: smi match: *O*[OH] *O*[OH]
-38: smi match: COC(C)(C)O COC(C)(C)O
-38: smi match: *[OH] *[OH]
-38: smi match: ** **
-38: smi match: C=N[NH2] C=N[NH2]
-38: smi match: C=NC=O C=NC=O
-38: smi match: * *
-38: smi match: C#NC C#NC
-38: smi match: CN=C=O CN=C=O
-38: smi match: CN=C=S CN=C=S
-38: smi match: *OC(*)(*)O* *OC(*)(*)O*
-38: smi match: *C(*)=O *C(*)=O
-38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
-38: smi match: *~*=O *~*=O
-38: smi match: *~*=O *~*=O
-38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
-38: smi match: * *
-38: smi match: *C#N *C#N
-38: smi match: *N(=O)~O *N(=O)~O
-38: smi match: N N
-38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
-38: smi match: C=NO C=NO
-38: smi match: O~O O~O
-38: smi match: c[OH] c[OH]
-38: smi match: O=P(~[OH])~O O=P(~[OH])~O
-38: smi match: CO~P(=O)~O CO~P(=O)~O
-38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
-38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
-38: smi match: O=P(~O)~O O=P(~O)~O
-38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
-38: smi match: C[NH2] C[NH2]
-38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
-38: smi match: * *
-38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
-38: smi match: CS(C)~O CS(C)~O
-38: smi match: CS(C)(~O)~O CS(C)(~O)~O
-38: smi match: CS(N)(~O)~O CS(N)(~O)~O
-38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
-38: smi match: COS(C)(~O)~O COS(C)(~O)~O
-38: smi match: *S(C)(~O)~O *S(C)(~O)~O
-38: smi match: CN(C)C CN(C)C
-38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
-38: smi match: *C(*)=S *C(*)=S
-38: smi match: *OC(*)=S *OC(*)=S
-38: smi match: * *
-38: smi match: C[SH] C[SH]
-38: smi match: c[SH] c[SH]
-38: smi match: NC(N)=S NC(N)=S
-38: smi match: * *
-38: smi match: ***** *****
-38: smi match: NC(N)=O NC(N)=O
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 280.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing sf.net issue 285.
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Github2441: Add RDProps interface to Conformers.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Issue2510: Pickle Confs as double.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing loading pickled mols with conformers
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing conformer reading/writing options
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing property reading options
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing property reading options
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing boost::serialization integration
-38: [21:51:49] 	done
-38: [21:51:49] -------------------------------------
-38: [21:51:49] Testing github issue 6036
-51: [21:51:49] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
-51: ===============================================================================
-51: All tests passed (2267 assertions in 79 test cases)
-51: 
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [21:51:49] SMILES Parse Error: syntax error while parsing: -
-60: [21:51:49] SMILES Parse Error: check for mistakes around position 1:
-60: [21:51:49] -
-60: [21:51:49] ^
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [21:51:49] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
-60: [21:51:49] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
-41: [21:51:49] sorting (hanoi sort) vectors
-58: Randomness seeded to: 2722404415
-58: ===============================================================================
-58: All tests passed (79 assertions in 6 test cases)
-58: 
-47: [21:51:49] Explicit valence for atom # 1 O, 3, is greater than permitted
-47: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [21:51:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [21:51:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [21:51:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [21:51:49] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
-47: [21:51:49] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
-47: [21:51:49] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
-47: [21:51:49] non-ring atom 0 marked aromatic
-47: [21:51:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [21:51:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
- 43/235 Test  #51: chiralityTestsCatch ....................   Passed    0.27 sec
- 44/235 Test  #56: pickleTestsCatch .......................   Passed    0.14 sec
- 45/235 Test  #58: molopsTestsCatch .......................   Passed    0.11 sec
- 46/235 Test  #60: smiTest2 ...............................   Passed    0.07 sec
- 47/235 Test  #38: graphmoltestPickler ....................   Passed    0.56 sec
-test 63
-        Start  63: smiTestCatch
-
-63: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-63: Test timeout computed to be: 1500
-test 64
-        Start  64: nontetrahedralCatch
-
-64: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
-64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-64: Test timeout computed to be: 1500
-test 65
-        Start  65: v2smiTestCatch
-
-65: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
-65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-65: Test timeout computed to be: 1500
-test 66
-        Start  66: testDepictor
-
-66: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
-66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
-66: Test timeout computed to be: 1500
-test 67
-        Start  67: depictorCatch
-
-67: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
-67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
-67: Test timeout computed to be: 1500
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] WARNING: not removing hydrogen atom without neighbors
-59: [21:51:49] Invalid chiral specification on atom 0
-59: [21:51:49] Invalid chiral specification on atom 0
-59: [21:51:49] Invalid chiral specification on atom 0
-59: [21:51:49] Invalid chiral specification on atom 0
-59: [21:51:49] Invalid chiral specification on atom 0
-59: [21:51:50] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
-59: [21:51:50] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
- 48/235 Test  #21: testPyGeometry .........................   Passed    1.47 sec
-47: [21:51:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-47: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-32: ......
-32: ----------------------------------------------------------------------
-32: Ran 6 tests in 0.001s
-32: 
-32: OK
- 49/235 Test  #32: pyDistGeom .............................   Passed    1.43 sec
-64: Randomness seeded to: 1946500501
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-test 68
-        Start  68: pyDepictor
-
-68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
-68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap
-68: Test timeout computed to be: 1500
-test 69
-        Start  69: testMrvToMol
-
-69: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse
-69: Test timeout computed to be: 1500
-63: Randomness seeded to: 3343231822
-63: [21:51:50] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-63: [21:51:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-63: [21:51:50] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
-63: [21:51:50] SMARTS Parse Error: unclosed ring for input: 'C1C'
-63: [21:51:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-63: [21:51:50] SMARTS Parse Error: syntax error while parsing: C)foo
-63: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
-63: [21:51:50] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
-63: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
-63: [21:51:50] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [21:51:50] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
-64: ===============================================================================
-64: All tests passed (308 assertions in 9 test cases)
-64: 
-65: Randomness seeded to: 394218394
-65: ===============================================================================
-65: All tests passed (14 assertions in 2 test cases)
-65: 
- 50/235 Test  #64: nontetrahedralCatch ....................   Passed    0.12 sec
- 51/235 Test  #65: v2smiTestCatch .........................   Passed    0.11 sec
-test 70
-        Start  70: fileParsersTest1
-
-70: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-70: Test timeout computed to be: 1500
-test 71
-        Start  71: testAtropisomers
-
-71: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
-71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-71: Test timeout computed to be: 1500
-71: [21:51:50]  ---- Running with POSIX locale ----- 
-47: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
-62: [21:51:50] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
-62: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
-62: [21:51:50] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
-62: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
-47: [21:51:50] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: [21:51:50] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: ===============================================================================
-47: All tests passed (4464 assertions in 106 test cases)
-47: 
-62: [21:51:50] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-62: [21:51:50] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
- 52/235 Test  #47: graphmolTestsCatch .....................   Passed    0.59 sec
-test 72
-        Start  72: testSquiggleDoubleBonds
-
-72: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
-72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-72: Test timeout computed to be: 1500
- 53/235 Test  #62: smaTest1 ...............................   Passed    0.25 sec
-63: [21:51:50] w block attempts to set wedging on bond 0 more than once.
-63: [21:51:50] improperly formatted w block
-test 73
-        Start  73: testMolSupplier
-
-73: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-73: Test timeout computed to be: 1500
-63: [21:51:50] atom 3 is not associated with bond 1(1-2) in w block
-30: ......[21:51:50] Molecule does not have explicit Hs. Consider calling AddHs()
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1Br
-59: smi: c1ccccc1
-59: smi: c1ccncc1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[pH]c1
-59: [21:51:50] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-59: [21:51:50] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-59: CbC(aC)aC
-59: CaC(bC)aC
-59: CbC(bC)aC
-59: O.C
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-59: [21:51:50] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 4:
-59: [21:51:50] c%()ccccc%()
-59: [21:51:50] ~~~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
-59: [21:51:50] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 9:
-59: [21:51:50] c%(100000)ccccc%(100000)
-59: [21:51:50] ~~~~~~~~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
-59: [21:51:50] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
-59: [21:51:50] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+70: [06:34:55] bond with order 0 found on line 7. This is not part of the MDL specification.
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
 69: Using new chirality perception
 69: Test
 69: 
@@ -18101,152 +18040,8 @@
 69: 
 69:  145323811.mol
 69: 
-69: [21:51:50] unsupported number of radical electrons 5
-63: [21:51:50] 
-63: 
-63: ****
-63: Range Error
-63: idx
-63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-63: Failed Expression: 20 < 20
-63: ----------
-63: Stacktrace:
-63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x000055F2E0EFC41D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x000055F2E0F4D6E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x000055F2E0F4E208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x000055F2E0F4E680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x000055F2E0F1FCC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x000055F2E0F2002C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x000055F2E0EB1CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x00007FBDB8630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-63: 16# 0x000055F2E0EB1D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: ----------
-63: ****
-63: 
-59: [21:51:50] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 14:
-59: [21:51:50] COc(c1)cccc1C#
-59: [21:51:50] ~~~~~~~~~~~~~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [21:51:50] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [21:51:50] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 14:
-59: [21:51:50] COc(c1)cccc1C#
-59: [21:51:50] ~~~~~~~~~~~~~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [21:51:50] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [21:51:50] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 14:
-59: [21:51:50] COc(c1)cccc1C#
-59: [21:51:50] ~~~~~~~~~~~~~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [21:51:50] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: C=c1s/c2n(c1=O)CCCCCCC\N=2
-59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
-59: [21:51:50] SMILES Parse Error: extra close parentheses while parsing: C)
-59: [21:51:50] SMILES Parse Error: check for mistakes around position 2:
-59: [21:51:50] C)
-59: [21:51:50] ~^
-59: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-72: Randomness seeded to: 2846056710
-72: ===============================================================================
-72: All tests passed (15 assertions in 3 test cases)
-72: 
-73: [21:51:50] 
-73: -----------------------------------------
- 54/235 Test  #59: smiTest1 ...............................   Passed    0.41 sec
- 55/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.09 sec
-test 74
-        Start  74: testGeneralFileReader
-
-74: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
-74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-74: Test timeout computed to be: 1500
-test 75
-        Start  75: testMultithreadedMolSupplier
-
-75: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
-75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-75: Test timeout computed to be: 1500
-63: [21:51:50] 
-63: 
-63: ****
-63: Range Error
-63: idx
-63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-63: Failed Expression: 20 < 20
-63: ----------
-63: Stacktrace:
-63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x000055F2E0EFC41D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x000055F2E0F4D6E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x000055F2E0F4E208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x000055F2E0F4E680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x000055F2E0F1FCC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x000055F2E0F2002C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x000055F2E0EB1CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x00007FBDB8630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-63: 16# 0x000055F2E0EB1D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: ----------
-63: ****
-63: 
-63: [21:51:50] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [21:51:50] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [21:51:50] SMARTS Parse Error: syntax error while parsing: C1C)foo
-63: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
-63: [21:51:50] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
-63: [21:51:50] SMILES Parse Error: check for mistakes around position 4:
-63: [21:51:50] C1C)foo
-63: [21:51:50] ~~~^
-63: [21:51:50] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
-63: ===============================================================================
-63: All tests passed (1584 assertions in 68 test cases)
-63: 
- 56/235 Test  #63: smiTestCatch ...........................   Passed    0.35 sec
-test 76
-        Start  76: testMolWriter
-
-76: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
-76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-76: Test timeout computed to be: 1500
-74: [21:51:50] 
-74: -----------------------------------------
-74: [21:51:50] Finished: testDetermineFormat()
-74: [21:51:50] -----------------------------------------
-74: 
-74: [21:51:50] 
-74: -----------------------------------------
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-73: [21:51:50] 
+69: [06:34:55] unsupported number of radical electrons 5
+73: [06:34:55] 
 73: 
 73: ****
 73: Invariant Violation
@@ -18257,166 +18052,17 @@
 73: Stacktrace:
 73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x00007FF7AE7947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  2# 0x00007FFA5C3947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x0000556A718C2134 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x0000556A71897A90 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x0000556A7189ADBB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  7# 0x00007FF7ADC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+73:  4# 0x00005586306CA134 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x000055863069FA90 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x00005586306A2DBB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  7# 0x00007FFA5B833CA8 in /lib/x86_64-linux-gnu/libc.so.6
 73:  8# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-73:  9# 0x0000556A7189C981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  9# 0x00005586306A4981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
 73: ----------
 73: ****
 73: 
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-70: ***************************************
-70: ***************************************
-61: Randomness seeded to: 1306444702
-61: Test
-61: 
-61:  ShortAtropisomerNoCoords.cxsmi
-61: 
-61: Test
-61: 
-61:  ShortAtropisomer.cxsmi
-61: 
-61: Test
-61: 
-61:  ShortAtropisomerArom.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChirals.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced2.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced3.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced4.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d_chiral.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop5.cxsmi
-61: 
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-75: [21:51:50] 
-75: -----------------------------------------
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-70: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-67: Randomness seeded to: 1218469515
-67: ===============================================================================
-67: All tests passed (580 assertions in 18 test cases)
-67: 
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 57/235 Test  #67: depictorCatch ..........................   Passed    0.34 sec
-test 77
-        Start  77: testTplParser
-
-77: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
-77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-77: Test timeout computed to be: 1500
-61: Test
-61: 
-61:  BMS-986142_atrop6.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atropBad1.cxsmi
-61: 
-61: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-74: [21:51:50] Finished: testSdf()
-74: [21:51:50] -----------------------------------------
-74: 
-74: [21:51:50] 
-74: -----------------------------------------
-61: Test
-61: 
-61:  BMS-986142_atropBad2.cxsmi
-61: 
-61: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-74: [21:51:50] Finished: testSmi()
-74: [21:51:50] -----------------------------------------
-74: 
-74: [21:51:50] 
-74: -----------------------------------------
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-30: ...
-30: ----------------------------------------------------------------------
-30: Ran 12 tests in 0.883s
-30: 
-30: OK
- 58/235 Test  #30: pyForceFieldConstraints ................   Passed    1.92 sec
-test 78
-        Start  78: testMol2ToMol
-
-78: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
-78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-78: Test timeout computed to be: 1500
- 59/235 Test  #78: testMol2ToMol ..........................   Passed    0.05 sec
-test 79
-        Start  79: testSequence
-
-79: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
-79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-79: Test timeout computed to be: 1500
-66: [21:51:50] Warning: stereochemistry around double bond may be incorrect in depiction.
 79:   Sequence: GREG
 79:   HELM: PEPTIDE1{G.R.E.G}$$$$
 79:   Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
@@ -19401,50 +19047,92 @@
 79: CONECT   27   28   28   29
 79: END
 79: 
- 60/235 Test  #79: testSequence ...........................   Passed    0.05 sec
-test 80
-        Start  80: testExtendedStereoParsing
-
-80: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
-80: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-80: Test timeout computed to be: 1500
- 61/235 Test  #77: testTplParser ..........................   Passed    0.28 sec
-test 81
-        Start  81: fileParsersCatchTest
-
-81: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-81: Test timeout computed to be: 1500
- 62/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.04 sec
-test 82
-        Start  82: testPropertyLists
-
-82: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
-82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-82: Test timeout computed to be: 1500
-81: Randomness seeded to: 2535494305
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [21:51:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [21:51:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
-81: [21:51:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [21:51:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [21:51:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup 3 referenced on line 40 not found.
-81: [21:51:50] 
+21: ....................
+21: ----------------------------------------------------------------------
+21: Ran 20 tests in 0.056s
+21: 
+21: OK
+21: Testing Geometry wrapper
+83: Randomness seeded to: 1818489859
+83: ===============================================================================
+83: All tests passed (100 assertions in 2 test cases)
+83: 
+82: Randomness seeded to: 3467418895
+82: ===============================================================================
+82: All tests passed (95 assertions in 4 test cases)
+82: 
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+36: [06:34:55] WARNING: not removing hydrogen atom with dummy atom neighbors
+36: -------------------------------
+36: [06:34:55] Explicit valence for atom # 0 N, 4, is greater than permitted
+ 50/235 Test  #78: testMol2ToMol ..........................   Passed    0.06 sec
+ 51/235 Test  #79: testSequence ...........................   Passed    0.05 sec
+ 52/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.05 sec
+ 53/235 Test  #82: testPropertyLists ......................   Passed    0.05 sec
+ 54/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.04 sec
+38: smi match: C#C C#C
+38: smi match: *[CH]C=C *[CH]C=C
+38: smi match: cCC(=O)[OH] cCC(=O)[OH]
+38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
+38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
+38: smi match: C=CC(=O)[OH] C=CC(=O)[OH]
+38: smi match: N#CC(=O)[OH] N#CC(=O)[OH]
+38: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O
+38: smi match: *N(*)C*=O *N(*)C*=O
+38: smi match: O=*C[OH] O=*C[OH]
+38: smi match: *=C*=O *=C*=O
+38: smi match: *=CC#N *=CC#N
+38: smi match: *C[OH] *C[OH]
+38: smi match: ** **
+38: smi match: *C[OH] *C[OH]
+38: smi match: *C(*)=O *C(*)=O
+38: smi match: * *
+38: smi match: *CC(=O)[OH] *CC(=O)[OH]
+38: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O
+70: [06:34:55] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [06:34:55] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [06:34:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+81: Randomness seeded to: 4196774060
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [06:34:55] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [06:34:55] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
+81: [06:34:55] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [06:34:55] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [06:34:55] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] SGroup 3 referenced on line 40 not found.
+81: [06:34:55] 
 81: 
 81: ****
-76: [21:51:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 81: Pre-condition Violation
 81: no bonds
 81: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp
@@ -19455,47 +19143,26 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x0000560CE4104769 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  7# 0x000055A227C02769 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] SGroup 3 referenced on line 40 not found.
-81: [21:51:50] 
+81: [06:34:55] SGroup 3 referenced on line 40 not found.
+81: [06:34:55] 
 81: 
 81: ****
-76: 0.40201265 0.40201265
-76: -0.13299436 -0.13299436
-76: 1.00000017 1.00000017
-76: 0.8762226 0.8762226
-76: 0.9973909 0.9973909
-76: 1.00000003 1.00000003
-76: 0.36613799 0.36613799
-76: 2.1107185 2.1107185
-76: 0.99999982 0.99999982
-76: 2.48696157 2.48696157
-76: 1.00479935 1.00479935
-76: 0.99999999 0.99999999
-76: 3.03311841 3.03311841
-76: 2.23739955 2.23739955
-76: 1.0000001 1.0000001
-76: 3.00772337 3.00772337
-76: 0.37399294 0.37399294
-76: 2.07713325 2.07713325
-76: 3.0077234 3.0077234
-76: 0.37399312 0.37399312
-76: -0.07713336 -0.07713336
 81: Pre-condition Violation
 81: no bonds
 81: Violation occurred on line 181 in file ./Code/GraphMol/SubstanceGroup.cpp
@@ -19506,29 +19173,127 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x0000560CE4104812 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  7# 0x000055A227C02812 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] no bonds
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup line too short: 'M  SBV   1   6' on line 42
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
-81: [21:51:50] SGroup 2 is invalid and will be ignored
-81: [21:51:50] 
+81: [06:34:55] no bonds
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] SGroup line too short: 'M  SBV   1   6' on line 42
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
+ 55/235 Test   #2: pyCoordGen .............................   Passed    0.30 sec
+test 92
+        Start  92: testGenericGroups
+
+92: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
+92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
+92: Test timeout computed to be: 1500
+test 93
+        Start  93: testReaction
+
+93: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
+93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+93: Test timeout computed to be: 1500
+test 94
+        Start  94: testReactionFingerprints
+
+94: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
+94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+94: Test timeout computed to be: 1500
+test 95
+        Start  95: testEnumeration
+
+95: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
+95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+95: Test timeout computed to be: 1500
+test 96
+        Start  96: rxnTestCatch
+
+96: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
+96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+96: Test timeout computed to be: 1500
+ 56/235 Test  #32: pyDistGeom .............................   Passed    0.26 sec
+62: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
+62: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
+62: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
+62: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
+62: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+62: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+86: Randomness seeded to: 1997655322
+86: ===============================================================================
+86: All tests passed (8 assertions in 1 test case)
+86: 
+38: smi match: *c *c
+38: smi match: CN(C)c CN(C)c
+38: smi match: c c
+38: smi match: *c *c
+38: smi match: *c *c
+38: smi match: **:*cF **:*cF
+38: smi match: cB([OH])[OH] cB([OH])[OH]
+38: smi match: N~N~N N~N~N
+38: smi match: *N=N* *N=N*
+38: smi match: *CC[OH] *CC[OH]
+38: smi match: *CC[OH] *CC[OH]
+38: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH]
+38: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH]
+38: smi match: *CCC(=O)[OH] *CCC(=O)[OH]
+38: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH]
+38: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O
+38: smi match: *OC(*)=O *OC(*)=O
+38: smi match: *C(=O)[OH] *C(=O)[OH]
+38: smi match: O=C[OH] O=C[OH]
+38: smi match: *OC(=O)O* *OC(=O)O*
+38: smi match: * *
+38: smi match: *OC(=O)Cl *OC(=O)Cl
+38: smi match: *C#N *C#N
+38: smi match: NCC(=O)NCC=O NCC(=O)NCC=O
+38: smi match: SS SS
+38: smi match: * *
+38: smi match: *=* *=*
+38: smi match: *=* *=*
+38: smi match: *=* *=*
+38: smi match: *=* *=*
+38: smi match: C1CO1 C1CO1
+38: smi match: *OC(*)=O *OC(*)=O
+38: smi match: * *
+38: smi match: *O*[OH] *O*[OH]
+38: smi match: COC(C)(C)O COC(C)(C)O
+38: smi match: *[OH] *[OH]
+38: smi match: ** **
+38: smi match: C=N[NH2] C=N[NH2]
+38: smi match: C=NC=O C=NC=O
+38: smi match: * *
+38: smi match: C#NC C#NC
+38: smi match: CN=C=O CN=C=O
+38: smi match: CN=C=S CN=C=S
+38: smi match: *OC(*)(*)O* *OC(*)(*)O*
+70: generating smiles
+70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+70: converting back
+70: check isomorphism
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+81: [06:34:55] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
+81: [06:34:55] SGroup 2 is invalid and will be ignored
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19542,23 +19307,23 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000560CE41053D2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x000055A227C033D2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19572,24 +19337,24 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000560CE410547A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x000055A227C0347A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] 
+81: [06:34:55] bookmark not found
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19603,29 +19368,27 @@
 81:  2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000560CE410547A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x000055A227C0347A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bond is not part of the SubstanceGroup
-81: [21:51:50] SGroup 2 is invalid and will be ignored
-81: [21:51:50] 
+81: [06:34:55] bond is not part of the SubstanceGroup
+81: [06:34:55] SGroup 2 is invalid and will be ignored
+81: [06:34:55] 
 81: 
 81: ****
-76: [21:51:50] bond with order 0 found on line 11. This is not part of the MDL specification.
-76: [21:51:50] bond with order 0 found on line 16. This is not part of the MDL specification.
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
@@ -19637,23 +19400,23 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000560CE41057E9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x000055A227C037E9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19667,27 +19430,27 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x0000560CE4105891 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x000055A227C03891 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
-81: [21:51:50] SGroup 2 is invalid and will be ignored
-81: [21:51:50] WARNING: final character of V3000 array is not ')'
-81: [21:51:50] 
+81: [06:34:55] bookmark not found
+81: [06:34:55] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
+81: [06:34:55] SGroup 2 is invalid and will be ignored
+81: [06:34:55] WARNING: final character of V3000 array is not ')'
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19705,21 +19468,21 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE41030F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C010F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] WARNING: final character of V3000 array is not ')'
-81: [21:51:50] 
+81: [06:34:55] WARNING: final character of V3000 array is not ')'
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19737,32 +19500,25 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE410318B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C0118B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] WARNING: final character of V3000 array is not ')'
-81: [21:51:50] 
+81: [06:34:55] bookmark not found
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] WARNING: final character of V3000 array is not ')'
+81: [06:34:55] 
 81: 
 81: ****
- 63/235 Test  #66: testDepictor ...........................   Passed    0.72 sec
-test 83
-        Start  83: XYZFileParserCatchTest
-
-83: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
-83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-83: Test timeout computed to be: 1500
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
@@ -19778,21 +19534,21 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE41034F4 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C014F4 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] WARNING: final character of V3000 array is not ')'
-81: [21:51:50] 
+81: [06:34:55] WARNING: final character of V3000 array is not ')'
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19810,22 +19566,22 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE410358C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C0158C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] SGroup 1 is invalid and will be ignored
-81: [21:51:50] 
+81: [06:34:55] bookmark not found
+81: [06:34:55] SGroup 1 is invalid and will be ignored
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19843,20 +19599,20 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE41038F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C018F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19874,22 +19630,22 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE410398C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C0198C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] SGroup 2 is invalid and will be ignored
-81: [21:51:50] 
+81: [06:34:55] bookmark not found
+81: [06:34:55] SGroup 2 is invalid and will be ignored
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19907,20 +19663,20 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE4103CF2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C01CF2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19938,63 +19694,425 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE4103D8C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227C01D8C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] bookmark not found
-81: [21:51:50] SGroup 2 is invalid and will be ignored
-81: [21:51:50] Explicit valence for atom # 2 O, 3, is greater than permitted
-81: [21:51:50] Explicit valence for atom # 1 O, 3, is greater than permitted
-81: [21:51:50] Explicit valence for atom # 1 C, 5, is greater than permitted
-82: Randomness seeded to: 1824054748
-82: ===============================================================================
-82: All tests passed (95 assertions in 4 test cases)
-82: 
- 64/235 Test  #82: testPropertyLists ......................   Passed    0.07 sec
- 65/235 Test  #76: testMolWriter ..........................   Passed    0.45 sec
-test 84
-        Start  84: cdxmlParserCatchTest
+81: [06:34:55] bookmark not found
+81: [06:34:55] SGroup 2 is invalid and will be ignored
+test 97
+        Start  97: pyChemReactions
 
-84: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
-84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-84: Test timeout computed to be: 1500
-test 85
-        Start  85: molfileStereoCatchTest
+97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
+97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+97: Test timeout computed to be: 1500
+test 98
+        Start  98: pyChemReactionEnumerations
 
-85: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
-85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-85: Test timeout computed to be: 1500
-81: [21:51:50] sanitize [21:51:50] UNK: [21:51:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [21:51:50] skipping block at line 7: 'BEGIN ATOM'
-74: [21:51:50] Finished: testMae()
-74: [21:51:50] -----------------------------------------
-74: 
-74: [21:51:50] 
-74: -----------------------------------------
-74: [21:51:50] Finished: testTdt()
-74: [21:51:50] -----------------------------------------
-74: 
- 66/235 Test  #74: testGeneralFileReader ..................   Passed    0.50 sec
-test 86
-        Start  86: connectTheDotsTest
+98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
+98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+98: Test timeout computed to be: 1500
+ 57/235 Test  #62: smaTest1 ...............................   Passed    0.16 sec
+ 58/235 Test  #86: connectTheDotsTest .....................   Passed    0.07 sec
+90:  ----------------- Test 1
+90: Done
+90: 
+90:  ----------------- Test 2
+90: Done
+90: 
+90:  ----------------- Test 3
+90: Done
+90: 
+90:  ----------------- Test 4
+90: Done
+90: 
+90:  ----------------- Test 5
+90: Done
+90: 
+90:  ----------------- Test 5 QueryRoot
+90: Done
+90: 
+90:  ----------------- Test 6 (Issue71 related)
+90: Done
+90: 
+90:  ----------------- Testing serial numbers on recursive queries
+90: Done
+90: 
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test multithreading
+90: reading molecules
+85: Randomness seeded to: 245034842
+85: [06:34:55] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [06:34:55] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [06:34:55] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [06:34:55] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: ===============================================================================
+85: All tests passed (142 assertions in 6 test cases)
+85: 
+ 59/235 Test  #85: molfileStereoCatchTest .................   Passed    0.07 sec
+61: Randomness seeded to: 1402234417
+61: Test
+61: 
+61:  ShortAtropisomerNoCoords.cxsmi
+61: 
+61: Test
+61: 
+61:  ShortAtropisomer.cxsmi
+61: 
+61: Test
+61: 
+61:  ShortAtropisomerArom.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChirals.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced2.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced3.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced4.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d_chiral.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop5.cxsmi
+61: 
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: Test
+61: 
+61:  BMS-986142_atrop6.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atropBad1.cxsmi
+61: 
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: Test
+61: 
+61:  BMS-986142_atropBad2.cxsmi
+61: 
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+36: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+36: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [06:34:55] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: 
+36: [06:34:55] WARNING: not removing hydrogen atom with dummy atom neighbors
+84: Randomness seeded to: 2035038269
+84: [06:34:55] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [06:34:55] Explicit valence for atom # 3 N, 4, is greater than permitted
+84: [06:34:55] CDXMLParser: failed sanitizing skipping fragment 32
+84: [06:34:55] Bad bond in CDXML skipping fragment 58...
+84: [06:34:55] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [06:34:55] Bad bond in CDXML skipping fragment 58...
+87: Randomness seeded to: 4036070803
+87: ===============================================================================
+87: All tests passed (12 assertions in 5 test cases)
+87: 
+ 60/235 Test  #87: v2MolSuppliers .........................   Passed    0.06 sec
+69: Test
+69: 
+69:  NewChiralTest.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTest.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.sdf
+69: 
+69: Test
+69: 
+69:  vendor839.sdf
+69: 
+69: Test
+69: 
+69:  ProblemShort.mol
+69: 
+69: [06:34:55] For a MultipleSgroup expansion, the matching orphaned bond was not found
+69: The multiple sgroup will be ignored
+88: Randomness seeded to: 2684408635
+88: ===============================================================================
+88: All tests passed (6 assertions in 1 test case)
+88: 
+38: smi match: *C(*)=O *C(*)=O
+38: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C
+38: smi match: *~*=O *~*=O
+38: smi match: *~*=O *~*=O
+38: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH]
+38: smi match: * *
+38: smi match: *C#N *C#N
+38: smi match: *N(=O)~O *N(=O)~O
+38: smi match: N N
+38: smi match: OC(=O)C(O)=O OC(=O)C(O)=O
+38: smi match: C=NO C=NO
+38: smi match: O~O O~O
+38: smi match: c[OH] c[OH]
+38: smi match: O=P(~[OH])~O O=P(~[OH])~O
+38: smi match: CO~P(=O)~O CO~P(=O)~O
+38: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O
+38: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O
+38: smi match: O=P(~O)~O O=P(~O)~O
+38: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O
+38: smi match: C[NH2] C[NH2]
+38: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1
+38: smi match: * *
+38: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1
+38: smi match: CS(C)~O CS(C)~O
+38: smi match: CS(C)(~O)~O CS(C)(~O)~O
+38: smi match: CS(N)(~O)~O CS(N)(~O)~O
+38: smi match: CS([OH])(~O)~O CS([OH])(~O)~O
+38: smi match: COS(C)(~O)~O COS(C)(~O)~O
+38: smi match: *S(C)(~O)~O *S(C)(~O)~O
+38: smi match: CN(C)C CN(C)C
+38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
+38: smi match: *C(*)=S *C(*)=S
+38: smi match: *OC(*)=S *OC(*)=S
+38: smi match: * *
+38: smi match: C[SH] C[SH]
+38: smi match: c[SH] c[SH]
+38: smi match: NC(N)=S NC(N)=S
+38: smi match: * *
+38: smi match: ***** *****
+38: smi match: NC(N)=O NC(N)=O
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 280.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing sf.net issue 285.
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing Github2441: Add RDProps interface to Conformers.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing Issue2510: Pickle Confs as double.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing loading pickled mols with conformers
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing conformer reading/writing options
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing property reading options
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing property reading options
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing boost::serialization integration
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [06:34:55] Explicit valence for atom # 2 O, 3, is greater than permitted
+81: [06:34:55] Explicit valence for atom # 1 O, 3, is greater than permitted
+81: [06:34:55] Explicit valence for atom # 1 C, 5, is greater than permitted
+81: [06:34:55] sanitize [06:34:55] UNK: [06:34:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+test 99
+        Start  99: pyChemReactionSanitize
 
-86: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
-86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-86: Test timeout computed to be: 1500
+99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
+99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+99: Test timeout computed to be: 1500
+test 100
+        Start 100: testChemTransforms
+
+100: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
+100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
+100: Test timeout computed to be: 1500
+test 101
+        Start 101: chemTransformsTestCatch
+
+101: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
+101: Test timeout computed to be: 1500
+test 102
+        Start 102: tautomerQueryTestCatch
+
+102: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
+102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
+102: Test timeout computed to be: 1500
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1Br
+59: smi: c1ccccc1
+59: smi: c1ccncc1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[pH]c1
+59: [06:34:55] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+59: [06:34:55] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+59: CbC(aC)aC
+59: CaC(bC)aC
+59: CbC(bC)aC
+59: O.C
+59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
+59: [06:34:55] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 4:
+59: [06:34:55] c%()ccccc%()
+59: [06:34:55] ~~~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
+59: [06:34:55] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 9:
+59: [06:34:55] c%(100000)ccccc%(100000)
+59: [06:34:55] ~~~~~~~~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
+59: [06:34:55] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
+59: [06:34:55] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+59: [06:34:55] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 14:
+59: [06:34:55] COc(c1)cccc1C#
+59: [06:34:55] ~~~~~~~~~~~~~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [06:34:55] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [06:34:55] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 14:
+59: [06:34:55] COc(c1)cccc1C#
+59: [06:34:55] ~~~~~~~~~~~~~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [06:34:55] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [06:34:55] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 14:
+59: [06:34:55] COc(c1)cccc1C#
+59: [06:34:55] ~~~~~~~~~~~~~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [06:34:55] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+63: [06:34:55] w block attempts to set wedging on bond 0 more than once.
+63: [06:34:55] improperly formatted w block
+63: [06:34:55] atom 3 is not associated with bond 1(1-2) in w block
+94: [06:34:55] -------------------------------------
+94: [06:34:55]     Test Reaction StructuralFingerprint
+94: [06:34:55] -------------------------------------
+94: [06:34:55]     Test Reaction DifferenceFingerprint
+ 61/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.08 sec
+38: [06:34:55] 	done
+38: [06:34:55] -------------------------------------
+38: [06:34:55] Testing github issue 6036
+ 62/235 Test  #38: graphmoltestPickler ....................   Passed    0.28 sec
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+81: [06:34:55] skipping block at line 7: 'BEGIN ATOM'
 81: ATOM      1 CHLO CHL     0       0.000   0.000   0.000  1.00  0.00          CL  
 81: END
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20006,21 +20124,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000560CE40F3D7D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x000055A227BF1D7D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20032,21 +20150,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000560CE40F3F58 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x000055A227BF1F58 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20058,21 +20176,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000560CE40F4391 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x000055A227BF2391 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20084,21 +20202,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000560CE40F4716 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x000055A227BF2716 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20110,31 +20228,97 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x0000560CE40F4993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x000055A227BF2993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] Found a SCD/SED line with missing/empty SDT specification at line 21
-81: [21:51:50] Found a SCD/SED line with missing/empty SDT specification at line 20
-81: [21:51:50] BEGIN SGROUP line not found on line 14
-81: [21:51:50]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
-81: [21:51:50] END SGROUP line not found on line 14
-81: [21:51:50] END SGROUP line not found on line 14
-81: [21:51:50] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
-81: [21:51:50] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
-81: [21:51:50] 
+81: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 21
+81: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 20
+81: [06:34:55] BEGIN SGROUP line not found on line 14
+81: [06:34:55]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
+81: [06:34:55] END SGROUP line not found on line 14
+81: [06:34:55] END SGROUP line not found on line 14
+81: [06:34:55] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
+81: [06:34:55] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
+81: [06:34:55] 
 81: 
 81: ****
+test 103
+        Start 103: pyTautomerQuery
+
+103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
+103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
+103: Test timeout computed to be: 1500
+59: C=c1s/c2n(c1=O)CCCCCCC\N=2
+59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
+59: [06:34:55] SMILES Parse Error: extra close parentheses while parsing: C)
+59: [06:34:55] SMILES Parse Error: check for mistakes around position 2:
+59: [06:34:55] C)
+59: [06:34:55] ~^
+59: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
+ 63/235 Test  #94: testReactionFingerprints ...............   Passed    0.05 sec
+ 64/235 Test  #21: testPyGeometry .........................   Passed    0.32 sec
+74: [06:34:55] Finished: testMae()
+74: [06:34:55] -----------------------------------------
+74: 
+74: [06:34:55] 
+74: -----------------------------------------
+74: [06:34:55] Finished: testTdt()
+74: [06:34:55] -----------------------------------------
+74: 
+ 65/235 Test  #74: testGeneralFileReader ..................   Passed    0.13 sec
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] WARNING: not removing hydrogen atom without neighbors
+84: [06:34:55] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
+90:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+90: processing
+90:  launch :0
+90:  launch :1
+90:  launch :2
+90:  launch :3
+93: smi: O=C1CNC(=O)CN1
+93: 1: O=C1CNC(=O)CN1
+93: 2: COOC
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+93: O=C1CNC(=O)CN1
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+67: Randomness seeded to: 2045093192
+67: ===============================================================================
+67: All tests passed (580 assertions in 18 test cases)
+67: 
+73: [06:34:55] Finished: testMolSup()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testRandMolSup()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+71: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 81: Range Error
 81: idx
 81: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
@@ -20147,51 +20331,141 @@
 81:  3# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  4# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  6# 0x0000560CE413838F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE40F9D93 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  6# 0x000055A227C3638F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227BF7D93 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
-81: [21:51:50] Multiple ATTCHPT values for atom 2 on line 9
-83: Randomness seeded to: 1589060407
-83: ===============================================================================
-83: All tests passed (100 assertions in 2 test cases)
-83: 
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
- 67/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.07 sec
-81: [21:51:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-81: [21:51:50] SMARTS Parse Error: syntax error while parsing: [#6;R
-81: [21:51:50] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
-81: [21:51:50] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
-81: [21:51:50] Skipping empty SMARTS value for SMARTSQ.
-81: [21:51:50] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
-81: [21:51:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-test 87
-        Start  87: v2MolSuppliers
+81: [06:34:55] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
+81: [06:34:55] Multiple ATTCHPT values for atom 2 on line 9
+81: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 12
+81: [06:34:55] SMARTS Parse Error: syntax error while parsing: [#6;R
+81: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
+81: [06:34:55] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
+81: [06:34:55] Skipping empty SMARTS value for SMARTSQ.
+81: [06:34:55] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
+test 104
+        Start 104: testSubgraphs1
 
-87: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
-87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-87: Test timeout computed to be: 1500
-81: [21:51:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-81: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [21:51:50] WARNING: Skipping property bar because the value includes an illegal blank line
-81: [21:51:50] WARNING: Skipping property baz because the value includes an illegal blank line
-81: [21:51:50] WARNING: Skipping property bletch
+104: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
+104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+104: Test timeout computed to be: 1500
+test 105
+        Start 105: testSubgraphs2
+
+105: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
+105: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+105: Test timeout computed to be: 1500
+test 106
+        Start 106: subgraphsCatch
+
+106: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
+106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+106: Test timeout computed to be: 1500
+test 107
+        Start 107: filterCatalogTest
+
+107: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
+107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
+107: Test timeout computed to be: 1500
+30: ...[06:34:55] Molecule does not have explicit Hs. Consider calling AddHs()
+63: [06:34:55] 
+63: 
+63: ****
+63: Range Error
+63: idx
+63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+63: Failed Expression: 20 < 20
+63: ----------
+63: Stacktrace:
+63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  7# 0x0000557A1480041D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x0000557A148516E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x0000557A14852208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x0000557A14852680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x0000557A14823CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x0000557A1482402C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x0000557A147B5CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x00007EFD57E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+63: 16# 0x0000557A147B5D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: ----------
+63: ****
+63: 
+63: [06:34:55] 
+63: 
+63: ****
+63: Range Error
+63: idx
+63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+63: Failed Expression: 20 < 20
+63: ----------
+63: Stacktrace:
+63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  7# 0x0000557A1480041D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x0000557A148516E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x0000557A14852208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x0000557A14852680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x0000557A14823CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x0000557A1482402C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x0000557A147B5CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x00007EFD57E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+63: 16# 0x0000557A147B5D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: ----------
+63: ****
+63: 
+63: [06:34:55] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [06:34:55] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [06:34:55] SMARTS Parse Error: syntax error while parsing: C1C)foo
+63: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
+63: [06:34:55] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
+63: [06:34:55] SMILES Parse Error: check for mistakes around position 4:
+63: [06:34:55] C1C)foo
+63: [06:34:55] ~~~^
+63: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
+63: ===============================================================================
+63: All tests passed (1584 assertions in 68 test cases)
+63: 
+ 66/235 Test  #59: smiTest1 ...............................   Passed    0.21 sec
+ 67/235 Test  #67: depictorCatch ..........................   Passed    0.17 sec
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 12
+81: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+81: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [06:34:55] WARNING: Skipping property bar because the value includes an illegal blank line
+81: [06:34:55] WARNING: Skipping property baz because the value includes an illegal blank line
+81: [06:34:55] WARNING: Skipping property bletch
 81: nope because the name includes a newline
-81: [21:51:50] WARNING: Skipping property bletch
+81: [06:34:55] WARNING: Skipping property bletch
 81: nope2 because the name includes a newline
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20203,26 +20477,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007FD6DC2C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007FB4CC0C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE40CB47C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227BC947C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20234,26 +20508,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007FD6DC2C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007FB4CC0C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE40CAB5A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227BC8B5A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20265,26 +20539,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007FD6DC2C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007FB4CC0C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE40CB424 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227BC9424 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20296,114 +20570,254 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007FD6DC2C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007FD6DC2D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007FD6DC2D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007FB4CC0C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007FB4CC0D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007FB4CC0D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x0000560CE40CB0C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x000055A227BC90C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50]  atom 3 has a negative isotope value. line:  15
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [21:51:50] bond with order 0 found on line 7. This is not part of the MDL specification.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-84: Randomness seeded to: 2251980204
-84: [21:51:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [21:51:50] Explicit valence for atom # 3 N, 4, is greater than permitted
-84: [21:51:50] CDXMLParser: failed sanitizing skipping fragment 32
-84: [21:51:50] Bad bond in CDXML skipping fragment 58...
-84: [21:51:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [21:51:50] Bad bond in CDXML skipping fragment 58...
-69: Test
-69: 
-69:  NewChiralTest.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTest.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.sdf
-69: 
-69: Test
-69: 
-69:  vendor839.sdf
-69: 
-69: Test
-69: 
-69:  ProblemShort.mol
-69: 
-69: [21:51:50] For a MultipleSgroup expansion, the matching orphaned bond was not found
-69: The multiple sgroup will be ignored
-86: Randomness seeded to: 1937155977
-86: ===============================================================================
-86: All tests passed (8 assertions in 1 test case)
-86: 
-85: Randomness seeded to: 91257821
-85: [21:51:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [21:51:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [21:51:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [21:51:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: ===============================================================================
-85: All tests passed (142 assertions in 6 test cases)
-85: 
- 68/235 Test  #85: molfileStereoCatchTest .................   Passed    0.09 sec
-test 88
-        Start  88: v2FileParsersCatchTest
+81: [06:34:55]  atom 3 has a negative isotope value. line:  15
+test 108
+        Start 108: pyFilterCatalog
 
-88: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
-88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-88: Test timeout computed to be: 1500
- 69/235 Test  #86: connectTheDotsTest .....................   Passed    0.11 sec
-test 89
-        Start  89: multithreadedSupplierCatchTest
+108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
+108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
+108: Test timeout computed to be: 1500
+test 109
+        Start 109: testFragCatalog
 
-89: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
-89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-89: Test timeout computed to be: 1500
-81: [21:51:50] 
+109: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog
+109: Test timeout computed to be: 1500
+ 68/235 Test  #63: smiTestCatch ...........................   Passed    0.19 sec
+93: [06:34:55] atom 0 in product 0 has multiple charge specifications.
+93:  mass: 15.0001
+93: Oc1ccccn1
+93: Oc1ccc[nH]1
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:2])
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
+93: [06:34:55] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [06:34:55] SMILES Parse Error: check for mistakes around position 2:
+93: [06:34:55] [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [06:34:55] ~^
+93: [06:34:55] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+93: [06:34:55] reactant 2 has no mapped atoms.
+93: [06:34:55] >> Atoms within one molecule have different RXN roles.
+93: [06:34:55] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
+93: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
+93: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
+93: [06:34:55] reactant 0 has no mapped atoms.
+93: [06:34:55] reactant 1 has no mapped atoms.
+93: [06:34:55] reactant 3 has no mapped atoms.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 5 found multiple times.
+93: [06:34:55] product atom-mapping number 6 found multiple times.
+93: [06:34:55] product atom-mapping number 7 found multiple times.
+93: [06:34:55] product atom-mapping number 8 found multiple times.
+93: [06:34:55] product atom-mapping number 12 found multiple times.
+93: [06:34:55] product atom-mapping number 9 found multiple times.
+93: [06:34:55] product atom-mapping number 10 found multiple times.
+93: [06:34:55] product atom-mapping number 11 found multiple times.
+93: [06:34:55] reactant 0 has no mapped atoms.
+93: [06:34:55] reactant 1 has no mapped atoms.
+93: [06:34:55] reactant 3 has no mapped atoms.
+93: [06:34:55] reactant atom-mapping number 19 found multiple times.
+93: [06:34:55] reactant atom-mapping number 25 found multiple times.
+93: [06:34:55] reactant atom-mapping number 20 found multiple times.
+93: [06:34:55] reactant atom-mapping number 21 found multiple times.
+93: [06:34:55] reactant atom-mapping number 22 found multiple times.
+93: [06:34:55] reactant atom-mapping number 23 found multiple times.
+93: [06:34:55] reactant atom-mapping number 24 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 5 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 5 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 5 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 5 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 4 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+93: [06:34:55] product atom-mapping number 3 found multiple times.
+93: [06:34:55] product atom-mapping number 2 found multiple times.
+93: [06:34:55] product atom-mapping number 1 found multiple times.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+47: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [06:34:55] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: [06:34:55] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: ===============================================================================
+47: All tests passed (4464 assertions in 106 test cases)
+47: 
+ 69/235 Test  #47: graphmolTestsCatch .....................   Passed    0.30 sec
+84: [06:34:55] Incomplete atom labelling, cannot make bond
+84: [06:34:55] Incomplete atom labelling, cannot make bond
+84: [06:34:55] Incomplete atom labelling, cannot make bond
+61: Test
+61: 
+61:  JDQ443_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atropBad1.cxsmi
+61: 
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+100: 1 smi: CC
+100: 1 smi: CC
+100: 2 smi: CCO[C@H](N)P
+100: 2 smi: CC
+100: replaceSub smi1:CCP(CC)[C@@H](N)O
+100: replaceSub smi1:CCNCC
+100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
+100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
+104: -----------------------
+104:  Subgraph retrieval
+104: Finished
+104: -----------------------
+104:  testSubgraphs2a
+104: Finished
+104: -----------------------
+104:  testSubgraphs2
+105: -----------------------
+105:  Test1: pathToSubmol
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+71: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+81: [06:34:55] 
 81: 
 81: ****
 81: Invariant Violation
@@ -20414,23 +20828,23 @@
 81: Stacktrace:
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-81:  2# 0x00007FD6DC3947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  2# 0x00007FB4CC1947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000560CE4138774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE410D43C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  4# 0x000055A227C36774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C0B43C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 14# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [21:51:50] 
+81: [06:34:55] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20443,479 +20857,750 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x0000560CE410D8C6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x0000560CE417C268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x0000560CE417CD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x0000560CE417D200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x0000560CE414E903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x0000560CE414EC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x0000560CE40C1CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007FD6DB830CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  4# 0x000055A227C0B8C6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x000055A227C7A268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x000055A227C7AD88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x000055A227C7B200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x000055A227C4C903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x000055A227C4CC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x000055A227BBFCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007FB4CB633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x0000560CE40C1D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x000055A227BBFD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-70: [21:51:50] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [21:51:50] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [21:51:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: generating smiles
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [21:51:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [21:51:50] Finished: testMolSup()
-73: [21:51:50] -----------------------------------------
-73: 
-73: [21:51:50] -----------------------------------------
-73: [21:51:50] Finished: testRandMolSup()
-73: [21:51:50] -----------------------------------------
-73: 
-73: [21:51:50] -----------------------------------------
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-70: converting back
-84: [21:51:50] WARNING: not removing hydrogen atom without neighbors
-84: [21:51:50] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
-87: Randomness seeded to: 2357575153
-87: ===============================================================================
-87: All tests passed (12 assertions in 5 test cases)
-87: 
- 70/235 Test  #87: v2MolSuppliers .........................   Passed    0.14 sec
-test 90
-        Start  90: testSubstructMatch
+test 110
+        Start 110: pyFragCatalog
 
-90: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-90: Test timeout computed to be: 1500
-70: check isomorphism
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [21:51:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-84: [21:51:50] Incomplete atom labelling, cannot make bond
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [21:51:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-84: [21:51:50] Incomplete atom labelling, cannot make bond
-71: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-88: Randomness seeded to: 1010937842
-88: ===============================================================================
-88: All tests passed (6 assertions in 1 test case)
-88: 
-90:  ----------------- Test 1
-90: Done
-90: 
-90:  ----------------- Test 2
-90: Done
-90: 
-90:  ----------------- Test 3
-90: Done
-90: 
-90:  ----------------- Test 4
-90: Done
-90: 
-90:  ----------------- Test 5
-90: Done
-90: 
-90:  ----------------- Test 5 QueryRoot
-90: Done
-90: 
-90:  ----------------- Test 6 (Issue71 related)
-90: Done
-90: 
-90:  ----------------- Testing serial numbers on recursive queries
-90: Done
-90: 
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test multithreading
-90: reading molecules
- 71/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.13 sec
-test 91
-        Start  91: substructTestCatch
+110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
+110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
+110: Test timeout computed to be: 1500
+test 111
+        Start 111: testDescriptors
 
-91: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
-91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-91: Test timeout computed to be: 1500
-71: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+111: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
+111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+111: Test timeout computed to be: 1500
+93: [06:34:55] product atom-mapping number 6 not found in reactants.
+93: [06:34:55] product atom-mapping number 7 not found in reactants.
+93: [06:34:55] product atom-mapping number 8 not found in reactants.
+93: [06:34:55] product atom-mapping number 7 not found in reactants.
+93: [06:34:55] product atom-mapping number 8 not found in reactants.
+93: [06:34:55] product atom-mapping number 9 not found in reactants.
+93: [06:34:55] product atom-mapping number 10 not found in reactants.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 6 
+93: [06:34:55] product atom-mapping number 7 not found in reactants.
+93: [06:34:55] product atom-mapping number 8 not found in reactants.
+93: [06:34:55] product atom-mapping number 9 not found in reactants.
+93: [06:34:55] product atom-mapping number 10 not found in reactants.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 6 
+93: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
+93: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
 61: Test
 61: 
-61:  JDQ443_3d.cxsmi
+61:  RP-6306_atrop1.cxsmi
 61: 
 61: Test
 61: 
-61:  JDQ443_atrop1.cxsmi
+61:  RP-6306_atrop2.cxsmi
 61: 
 61: Test
 61: 
-61:  JDQ443_atrop2.cxsmi
+61:  RP-6306_atrop3.cxsmi
 61: 
 61: Test
 61: 
-61:  JDQ443_atrop3.cxsmi
+61:  RP-6306_atrop4.cxsmi
 61: 
 61: Test
 61: 
-61:  JDQ443_atrop4.cxsmi
+61:  RP-6306_atrop5.cxsmi
 61: 
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 61: Test
 61: 
-61:  JDQ443_atropBad1.cxsmi
+61:  RP-6306_atrop6.cxsmi
 61: 
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-84: [21:51:51] Incomplete atom labelling, cannot make bond
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-90:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-90: processing
-90:  launch :0
-90:  launch :1
-90:  launch :2
-73: [21:51:51] Finished: testSmilesSup()
-73: [21:51:51] -----------------------------------------
+61: Test
+61: 
+61:  RP-6306_atropBad1.cxsmi
+61: 
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+96: Randomness seeded to: 384643273
+96: [06:34:55] atom 0 in product 0 has multiple charge specifications.
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 34
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 36
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 38
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 40
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 42
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 87
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 89
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 91
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 93
+96: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 95
+96: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [06:34:55] SMARTS Parse Error: unclosed ring for input: 'CC1'
+96: [06:34:55] SMILES Parse Error: unclosed ring for input: 'CC1'
+96: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [06:34:55] product atom-mapping number 2 not found in reactants.
+96: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [06:34:55] product atom-mapping number 2 not found in reactants.
+106: Randomness seeded to: 1261425307
+106: ---------
+106: ===============================================================================
+106: All tests passed (11 assertions in 1 test case)
+106: 
+73: [06:34:55] Finished: testSmilesSup()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] ------------------------------------------------------
-73: [21:51:51] SMILES Parse Error: syntax error while parsing: fail
-73: [21:51:51] SMILES Parse Error: check for mistakes around position 1:
-73: [21:51:51] fail
-73: [21:51:51] ^
-73: [21:51:51] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-73: [21:51:51] ERROR: Smiles parse error on line 3
-73: [21:51:51] ERROR: Cannot create molecule from : 'fail'
-73: [21:51:51] ------------------------------------------------------
-73: [21:51:51] ------------------------------------------------------
-73: [21:51:51] >>> This may result in an infinite loop.  It should finish almost immediately:
-73: [21:51:51] <<< done.
-73: [21:51:51] Finished: testSmilesSupFromText()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] ------------------------------------------------------
+73: [06:34:55] SMILES Parse Error: syntax error while parsing: fail
+73: [06:34:55] SMILES Parse Error: check for mistakes around position 1:
+73: [06:34:55] fail
+73: [06:34:55] ^
+73: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+73: [06:34:55] ERROR: Smiles parse error on line 3
+73: [06:34:55] ERROR: Cannot create molecule from : 'fail'
+73: [06:34:55] ------------------------------------------------------
+73: [06:34:55] ------------------------------------------------------
+73: [06:34:55] >>> This may result in an infinite loop.  It should finish almost immediately:
+73: [06:34:55] <<< done.
+73: [06:34:55] Finished: testSmilesSupFromText()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-90:  launch :3
-84: [21:51:51] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [21:51:51] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [21:51:51] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
-84: [21:51:51] Failed to parse XML fragment 5 node: b attribute: Order: 5
-84: [21:51:51] Invalid or missing fragment id from CDXML fragment, assigning new one...
-73: [21:51:51] Finished: testSmilesWriter()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testSmilesWriter()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+ 70/235 Test #106: subgraphsCatch .........................   Passed    0.04 sec
+test 112
+        Start 112: testAUTOCORR2D
+
+112: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
+112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+112: Test timeout computed to be: 1500
+61: Test
+61: 
+61:  RP-6306_atropBad2.cxsmi
+61: 
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+84: [06:34:55] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [06:34:55] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [06:34:55] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
+84: [06:34:55] Failed to parse XML fragment 5 node: b attribute: Order: 5
+84: [06:34:55] Invalid or missing fragment id from CDXML fragment, assigning new one...
 84: ===============================================================================
 84: All tests passed (263 assertions in 7 test cases)
 84: 
- 72/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.36 sec
-test 92
-        Start  92: testGenericGroups
+105: Finished
+105: -----------------------
+105:  Test2: Atom Environments
+105: Finished
+105: -----------------------
+105: Test 3: Atom Environments (Extension)
+105: Finished
+105: -----------------------
+105:  Testing github Issue103: stereochemistry and pathToSubmol
+105: Finished
+105: -----------------------
+105:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
+105: Finished
+101: Randomness seeded to: 645588635
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000564612CF71D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+41: [06:34:55] sorting (hanoi sort) vectors
+96: [06:34:55] CX Extensions: Substance group hierarchy is not always preserved.
+96: [06:34:55] CX Extensions: Substance group hierarchy is not always preserved.
+100: [06:34:55] SMARTS Parse Error: syntax error while parsing: bar
+100: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
+ 71/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.16 sec
+ 72/235 Test #105: testSubgraphs2 .........................   Passed    0.06 sec
+73: [06:34:55] Finished: testSDWriter()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+test 113
+        Start 113: testATF
 
-92: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
-92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
-92: Test timeout computed to be: 1500
-73: [21:51:51] Finished: testSDWriter()
-73: [21:51:51] -----------------------------------------
+113: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF
+113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+113: Test timeout computed to be: 1500
+test 114
+        Start 114: testBCUT
+
+114: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
+114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+114: Test timeout computed to be: 1500
+73: [06:34:55] Finished: testSDSupplierEnding()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testSDSupplierEnding()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testSuppliersEmptyFile()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testSuppliersEmptyFile()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testCisTrans()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testCisTrans()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testStereoRound()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testStereoRound()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [06:34:55] Finished: testIssue226()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [21:51:51] Finished: testIssue226()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testTDTSupplier1()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testTDTSupplier1()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000564612CF71D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+96: [06:34:55] reactant 0 has no mapped atoms.
+96: [06:34:55] product 0 has no mapped atoms.
+96: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [06:34:55] Explicit valence for atom # 1 O, 5, is greater than permitted
+96: ===============================================================================
+96: All tests passed (722 assertions in 30 test cases)
+96: 
+73: [06:34:55] Finished: testTDTSupplier2()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+ 73/235 Test  #96: rxnTestCatch ...........................   Passed    0.12 sec
+test 115
+        Start 115: testEEM
+
+115: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
+115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+115: Test timeout computed to be: 1500
+73: [06:34:55] Finished: testTDTSupplier3()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testSDSupplierFromText()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testTDTSupplier2()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+109:  21
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Spurious data before the first property will be ignored
+73: [06:34:55] Property <ID> will be truncated after the first blank line
+73: [06:34:55] Property <ID> will be truncated after the first blank line
+73: [06:34:55] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [06:34:55] Finished: testSDSupplierStrLax1()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [06:34:55] Finished: testSDSupplierStrLax2()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+112: [06:34:55] ----------------------------
+112: start test autocorr2D
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Spurious data before the first property will be ignored
+73: [06:34:55] Property <ID> will be truncated after the first blank line
+73: [06:34:55] Property <ID> will be truncated after the first blank line
+73: [06:34:55] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [06:34:55] Finished: testSDSupplierFromTextStrLax1()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testTDTSupplier3()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] ERROR: Problems encountered parsing data fields
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [06:34:55] Finished: testSDSupplierFromTextStrLax2()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testIssue265()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] ERROR: End of data field name not found
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Could not sanitize molecule ending on line 16
+73: [06:34:55] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] ERROR: Bond line too short: 'M  END' on line 18
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Finished: testSDErrorHandling()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+104: Finished
+104: -----------------------
+104:  Path retrieval
+104: Finished
+104: -----------------------
+104:  Path retrieval2
+104: Finished
+104: -----------------------
+104:  Unique Subgraph retrieval
+104: Finished
+104: -----------------------
+104:  testUniqueSubgraphs2
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000564612CF71D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
+73: [06:34:55] Finished: testIssue381()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testSDSupplierFromText()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Crippen parameter acquisition.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Crippen calculation.
+73: [06:34:55] Finished: testSetStreamIndices()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Spurious data before the first property will be ignored
-73: [21:51:51] Property <ID> will be truncated after the first blank line
+73: [06:34:55] -----------------------------------------
 61: Test
 61: 
-61:  RP-6306_atrop1.cxsmi
+61:  RP-6306_3d.cxsmi
 61: 
 61: Test
 61: 
-61:  RP-6306_atrop2.cxsmi
+61:  Sotorasib_atrop1.cxsmi
 61: 
 61: Test
 61: 
-61:  RP-6306_atrop3.cxsmi
+61:  Sotorasib_atrop2.cxsmi
 61: 
 61: Test
 61: 
-61:  RP-6306_atrop4.cxsmi
+61:  Sotorasib_atrop3.cxsmi
 61: 
 61: Test
 61: 
-61:  RP-6306_atrop5.cxsmi
+61:  Sotorasib_atrop4.cxsmi
 61: 
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-73: [21:51:51] Property <ID> will be truncated after the first blank line
-73: [21:51:51] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [21:51:51] Finished: testSDSupplierStrLax1()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [21:51:51] Finished: testSDSupplierStrLax2()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Spurious data before the first property will be ignored
-73: [21:51:51] Property <ID> will be truncated after the first blank line
-73: [21:51:51] Property <ID> will be truncated after the first blank line
-73: [21:51:51] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [21:51:51] Finished: testSDSupplierFromTextStrLax1()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] ERROR: Problems encountered parsing data fields
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [21:51:51] Finished: testSDSupplierFromTextStrLax2()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testIssue265()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-73: [21:51:51] ERROR: End of data field name not found
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-73: [21:51:51] Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule ending on line 16
-73: [21:51:51] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-81: [21:51:51] ERROR: molecules without atoms cannot be exported to Maestro files.
-81: [21:51:51] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-81: [21:51:51] ERROR: the mol cannot be kekulized, and will not be written to the output file.
-81: [21:51:51] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
-73: [21:51:51] ERROR: Bond line too short: 'M  END' on line 18
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Finished: testSDErrorHandling()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-81: [21:51:51] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[21:51:51] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [21:51:51] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [21:51:51] Finished: testIssue381()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testSetStreamIndices()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testMixIterAndRandom()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
 61: Test
 61: 
-61:  RP-6306_atrop6.cxsmi
+61:  Sotorasib_atrop5.cxsmi
 61: 
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+81: [06:34:55] ERROR: molecules without atoms cannot be exported to Maestro files.
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+81: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+73: [06:34:55] Finished: testMixIterAndRandom()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+81: [06:34:55] ERROR: the mol cannot be kekulized, and will not be written to the output file.
+81: [06:34:55] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+73: build:
+73: [06:34:55] Finished: testRemoveHs()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000564612CF71D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+81: [06:34:55] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[06:34:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [06:34:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 61: Test
 61: 
-61:  RP-6306_atropBad1.cxsmi
+61:  Sotorasib_atropBad1.cxsmi
 61: 
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-73: build:
-73: [21:51:51] Finished: testRemoveHs()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-73: [21:51:51] Finished: testGetItemText()
-73: [21:51:51] -----------------------------------------
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+114: [06:34:55] -------------------------------------
+114: [06:34:55]     Basic BCUT tests.
+95: 30000000 30000000
+ 74/235 Test #100: testChemTransforms .....................   Passed    0.12 sec
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+73: [06:34:55] Finished: testGetItemText()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+73: [06:34:55] -----------------------------------------
+test 116
+        Start 116: testPBF
+
+116: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
+116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+116: Test timeout computed to be: 1500
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
 61: Test
 61: 
-61:  RP-6306_atropBad2.cxsmi
+61:  Sotorasib_atropBad2.cxsmi
 61: 
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-71: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-90:  done
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-90:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-90: processing2
-90:  launch2 :0
-90:  launch2 :1
-90:  launch2 :2
-90:  launch2 :3
-71: [21:51:51] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-73: [21:51:51] Finished: testForwardSDSupplier()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-68: ..............[21:51:51] SMILES Parse Error: syntax error while parsing: invalidsmiles
-68: [21:51:51] SMILES Parse Error: check for mistakes around position 1:
-68: [21:51:51] invalidsmiles
-68: [21:51:51] ^
-68: [21:51:51] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
-90:  done
-90:  preprocessing 3
-90:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
-90: processing3
-90:  launch3 :0
-90:  launch3 :1
-90:  launch3 :2
-90:  launch3 :3
-73: [21:51:51] Finished: testMissingCRSDSupplier()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
-36: [21:51:51] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
-73: [21:51:51] Finished: testIssue3482695()
-73: [21:51:51] -----------------------------------------
-73: 
-73: [21:51:51] -----------------------------------------
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+101: ****
+101: 
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Issue262: problems with Crippen calculation from pickles.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test AMW calculation.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Exact MW calculation.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Labute ASA descriptors.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test TPSA descriptors.
+115: =>start test EEM
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 0
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 75/235 Test #113: testATF ................................   Passed    0.05 sec
+61: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+93: [06:34:55] product atom-mapping number 17 not found in reactants.
+93: [06:34:55] product atom-mapping number 18 not found in reactants.
+93: [06:34:55] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 12 
+test 117
+        Start 117: testRDFcustom
+
+117: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
+117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+117: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 71: Atropisomers- 1 hits   3 misses
 71: Final results:
 71: Found atropisomers in TestMultInSDF.sdf - 1 hits   4 misses
-73: [21:51:51] ERROR: Cannot convert 'foo' to unsigned int on line 557
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Finished: testIssue3525673()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] Finished: testForwardSDSupplier()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
- 73/235 Test  #71: testAtropisomers .......................   Passed    1.31 sec
-test 93
-        Start  93: testReaction
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testMissingCRSDSupplier()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testIssue3482695()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+ 76/235 Test  #71: testAtropisomers .......................   Passed    0.26 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 118
+        Start 118: testRDF
 
-93: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
-93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-93: Test timeout computed to be: 1500
-73: [21:51:51] Finished: testBlankLinesInProps()
-73: [21:51:51] -----------------------------------------
+118: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
+118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+118: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [06:34:55] ERROR: Cannot convert 'foo' to unsigned int on line 557
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Finished: testIssue3525673()
+73: [06:34:55] -----------------------------------------
+73: 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testBlankLinesInProps()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testSkipLines()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testSkipLines()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testGitHub23()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testGitHub23()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testGitHub88()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testGitHub88()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testGitHub2285()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+101: [06:34:55] Incomplete atom labelling, cannot make bond
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x0000564612CF71D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+101: [06:34:55] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: zipped Bond already exists, perhaps labels are duplicated
+101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  5# 0x0000564612CEC47D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x0000564612D48F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x0000564612D49A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x0000564612D49EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x0000564612D1B6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x0000564612D1BA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x0000564612CEB67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 12# 0x00007F18A9E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 14# 0x0000564612CEB6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+101: ===============================================================================
+101: All tests passed (674 assertions in 9 test cases)
+101: 
+114: [06:34:55]   done
+114: [06:34:55] -------------------------------------
+114: [06:34:55]     Larger BCUT tests.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 77/235 Test #101: chemTransformsTestCatch ................   Passed    0.16 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [06:34:55] Finished: testGitHub2285()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-73: [21:51:51] ERROR: Smiles parse error on line 1
-73: [21:51:51] ERROR: Cannot create molecule from : 'c1ccccc'
-73: [21:51:51] SMILES Parse Error: extra open parentheses while parsing: C(C
-73: [21:51:51] SMILES Parse Error: check for mistakes around position 2:
-73: [21:51:51] C(C
-73: [21:51:51] ~^
-73: [21:51:51] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-73: [21:51:51] ERROR: Smiles parse error on line 3
-73: [21:51:51] ERROR: Cannot create molecule from : 'C(C'
-73: [21:51:51] Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule on line 5
-73: [21:51:51] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [21:51:51] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule ending on line 21
-73: [21:51:51] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule ending on line 21
-73: [21:51:51] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule ending on line 21
-73: [21:51:51] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Atom line too short: '   -9.6' on line 28
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Could not sanitize molecule ending on line 21
-73: [21:51:51] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [21:51:51] ERROR: Atom line too short: '   -9.6' on line 28
-73: [21:51:51] ERROR: moving to the beginning of the next molecule
-73: [21:51:51] Finished: testGitHub2479()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+73: [06:34:55] ERROR: Smiles parse error on line 1
+73: [06:34:55] ERROR: Cannot create molecule from : 'c1ccccc'
+73: [06:34:55] SMILES Parse Error: extra open parentheses while parsing: C(C
+73: [06:34:55] SMILES Parse Error: check for mistakes around position 2:
+73: [06:34:55] C(C
+73: [06:34:55] ~^
+73: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+73: [06:34:55] ERROR: Smiles parse error on line 3
+73: [06:34:55] ERROR: Cannot create molecule from : 'C(C'
+73: [06:34:55] Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [06:34:55] ERROR: Could not sanitize molecule on line 5
+73: [06:34:55] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [06:34:55] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Could not sanitize molecule ending on line 21
+73: [06:34:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Could not sanitize molecule ending on line 21
+73: [06:34:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] Explicit valence for atom # 1 F, 2, is greater than permitted
+test 119
+        Start 119: testMORSE
+
+119: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
+119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+119: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [06:34:55] ERROR: Could not sanitize molecule ending on line 21
+73: [06:34:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Atom line too short: '   -9.6' on line 28
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Could not sanitize molecule ending on line 21
+73: [06:34:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [06:34:55] ERROR: Atom line too short: '   -9.6' on line 28
+73: [06:34:55] ERROR: moving to the beginning of the next molecule
+73: [06:34:55] Finished: testGitHub2479()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] 
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] 
 73: 
 73: ****
 73: Invariant Violation
@@ -20926,390 +21611,560 @@
 73: Stacktrace:
 73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x00007FF7AE794DAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  2# 0x00007FFA5C394DAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x0000556A7189D7CE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x0000556A7189C70B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x00007FF7ADC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+73:  4# 0x00005586306A57CE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x00005586306A470B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x00007FFA5B833CA8 in /lib/x86_64-linux-gnu/libc.so.6
 73:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-73:  8# 0x0000556A7189C981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  8# 0x00005586306A4981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
 73: ----------
 73: ****
 73: 
-73: [21:51:51] Finished: testGitHub2881()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] Finished: testGitHub2881()
+73: [06:34:55] -----------------------------------------
 73: 
-73: [21:51:51] -----------------------------------------
-73: [21:51:51] Finished: testGitHub3517()
-73: [21:51:51] -----------------------------------------
+73: [06:34:55] -----------------------------------------
+73: [06:34:55] Finished: testGitHub3517()
+73: [06:34:55] -----------------------------------------
 73: 
- 74/235 Test  #73: testMolSupplier ........................   Passed    1.31 sec
-test 94
-        Start  94: testReactionFingerprints
-
-94: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
-94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-94: Test timeout computed to be: 1500
-91: Randomness seeded to: 862359945
-91: ===============================================================================
-91: All tests passed (242 assertions in 12 test cases)
-91: 
- 75/235 Test  #91: substructTestCatch .....................   Passed    0.51 sec
-test 95
-        Start  95: testEnumeration
-
-95: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
-95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-95: Test timeout computed to be: 1500
-93: smi: O=C1CNC(=O)CN1
-93: 1: O=C1CNC(=O)CN1
-93: 2: COOC
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [21:51:51] 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]'
-94: [21:51:51] -------------------------------------
-94: [21:51:51]     Test Reaction StructuralFingerprint
-93: O=C1CNC(=O)CN1
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-94: [21:51:51] -------------------------------------
-94: [21:51:51]     Test Reaction DifferenceFingerprint
- 76/235 Test  #94: testReactionFingerprints ...............   Passed    0.06 sec
-test 96
-        Start  96: rxnTestCatch
+ 78/235 Test  #73: testMolSupplier ........................   Passed    0.28 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+116: [06:34:55] -------------------------------------
+116: [06:34:55]     Basic PBF tests.
+test 120
+        Start 120: test3D
 
-96: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
-96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-96: Test timeout computed to be: 1500
-93: [21:51:51] atom 0 in product 0 has multiple charge specifications.
-93:  mass: 15.0001
-93: Oc1ccccn1
-93: Oc1ccc[nH]1
+120: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D
+120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+120: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+107: Warning: molecule failed filter 
+107: Warning: molecule failed filter: reason hzone_phenol_A(479)
+107: v = { 
+107: 	0,23},
+107: 	1,22},
+107: 	2,20},
+107: 	3,19},
+107: 	4,25},
+107: 	5,24},
+107: 	6,18},
+107: 	7,17},
+107: 	8,16},
+107: 	9,21},
+107: }
+107: match = { 
+107: 	0,23},
+107: 	1,22},
+107: 	2,20},
+107: 	3,19},
+107: 	4,25},
+107: 	5,24},
+107: 	6,18},
+107: 	7,17},
+107: 	8,16},
+107: 	9,21},
+107: }
+107: Warning: molecule failed filter 
+107: Warning: molecule failed filter: reason cyano_imine_B(17)
+107: v = { 
+107: 	0,11},
+107: 	1,12},
+107: 	2,13},
+107: 	3,14},
+107: 	4,15},
+107: 	5,10},
+107: 	6,9},
+107: 	7,8},
+107: 	8,7},
+107: 	9,6},
+107: 	10,5},
+107: 	11,17},
+107: 	12,16},
+107: }
+107: match = { 
+107: 	0,11},
+107: 	1,12},
+107: 	2,13},
+107: 	3,14},
+107: 	4,15},
+107: 	5,10},
+107: 	6,9},
+107: 	7,8},
+107: 	8,7},
+107: 	9,6},
+107: 	10,5},
+107: 	11,17},
+107: 	12,16},
+107: }
+107: Warning: molecule failed filter 
 61: Test
 61: 
-61:  RP-6306_3d.cxsmi
+61:  Sotorasib_3d.cxsmi
 61: 
 61: Test
 61: 
-61:  Sotorasib_atrop1.cxsmi
+61:  ZM374979_atrop1.cxsmi
 61: 
 61: Test
 61: 
-61:  Sotorasib_atrop2.cxsmi
+61:  ZM374979_atrop2.cxsmi
 61: 
 61: Test
 61: 
-61:  Sotorasib_atrop3.cxsmi
+61:  ZM374979_atrop3.cxsmi
 61: 
 61: Test
 61: 
-61:  Sotorasib_atrop4.cxsmi
+61:  ZM374979_atrop4.cxsmi
 61: 
 61: Test
 61: 
-61:  Sotorasib_atrop5.cxsmi
+61:  ZM374979_atropBad1.cxsmi
 61: 
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [21:51:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: [C:2])
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
-93: [21:51:51] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [21:51:51] SMILES Parse Error: check for mistakes around position 2:
-93: [21:51:51] [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [21:51:51] ~^
-93: [21:51:51] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-93: [21:51:51] reactant 2 has no mapped atoms.
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+107: Warning: molecule failed filter: reason keto_keto_gamma(5)
+107: v = { 
+107: 	0,0},
+107: 	1,1},
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+107: 	2,2},
+107: 	3,4},
+107: 	4,5},
+107: 	5,6},
+107: 	6,7},
+107: 	7,8},
+107: 	8,9},
+107: 	9,14},
+107: 	10,15},
+107: 	11,16},
+107: }
+107: match = { 
+107: 	0,0},
+107: 	1,1},
+107: 	2,2},
+107: 	3,4},
+107: 	4,5},
+107: 	5,6},
+107: 	6,7},
+107: 	7,8},
+107: 	8,9},
+107: 	9,14},
+107: 	10,15},
+107: 	11,16},
+107: }
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+66: [06:34:55] Warning: stereochemistry around double bond may be incorrect in depiction.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+76: [06:34:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+90: processing2
+90:  launch2 :0
+90:  launch2 :1
+90:  launch2 :2
+90:  launch2 :3
+76: 0.40201265 0.40201265
+76: -0.13299436 -0.13299436
+76: 1.00000017 1.00000017
+76: 0.8762226 0.8762226
+76: 0.9973909 0.9973909
+76: 1.00000003 1.00000003
+76: 0.36613799 0.36613799
+76: 2.1107185 2.1107185
+76: 0.99999982 0.99999982
+76: 2.48696157 2.48696157
+76: 1.00479935 1.00479935
+76: 0.99999999 0.99999999
+76: 3.03311841 3.03311841
+76: 2.23739955 2.23739955
+76: 1.0000001 1.0000001
+76: 3.00772337 3.00772337
+76: 0.37399294 0.37399294
+76: 2.07713325 2.07713325
+76: 3.0077234 3.0077234
+76: 0.37399312 0.37399312
+76: -0.07713336 -0.07713336
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+76: [06:34:55] bond with order 0 found on line 11. This is not part of the MDL specification.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+76: [06:34:55] bond with order 0 found on line 16. This is not part of the MDL specification.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     Basic PMI tests.
+93: [06:34:55] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: [06:34:55] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: 
+93: [06:34:55] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
+93: -------------
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Lipinski parameters.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+93: CCOc1ccccc1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  done
+90:  preprocessing 3
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
+90: processing3
+90:  launch3 :0
+90:  launch3 :1
+90:  launch3 :2
+90:  launch3 :3
+ 79/235 Test  #76: testMolWriter ..........................   Passed    0.33 sec
+test 121
+        Start 121: testWHIM
+
+121: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
+121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+121: Test timeout computed to be: 1500
+89: Randomness seeded to: 1261938440
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+102: Randomness seeded to: 3593014216
+102: ===============================================================================
+102: All tests passed (93 assertions in 13 test cases)
+102: 
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
 61: Test
 61: 
-61:  Sotorasib_atropBad1.cxsmi
+61:  Mrtx1719_3d.cxsmi
 61: 
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-93: [21:51:51] >> Atoms within one molecule have different RXN roles.
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-93: [21:51:51] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
-93: [21:51:51] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
-93: [21:51:51] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-93: [21:51:51] reactant 0 has no mapped atoms.
-93: [21:51:51] reactant 1 has no mapped atoms.
-93: [21:51:51] reactant 3 has no mapped atoms.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 5 found multiple times.
-93: [21:51:51] product atom-mapping number 6 found multiple times.
-93: [21:51:51] product atom-mapping number 7 found multiple times.
-93: [21:51:51] product atom-mapping number 8 found multiple times.
-93: [21:51:51] product atom-mapping number 12 found multiple times.
-93: [21:51:51] product atom-mapping number 9 found multiple times.
-93: [21:51:51] product atom-mapping number 10 found multiple times.
-93: [21:51:51] product atom-mapping number 11 found multiple times.
-93: [21:51:51] reactant 0 has no mapped atoms.
-93: [21:51:51] reactant 1 has no mapped atoms.
-93: [21:51:51] reactant 3 has no mapped atoms.
-93: [21:51:51] reactant atom-mapping number 19 found multiple times.
-93: [21:51:51] reactant atom-mapping number 25 found multiple times.
-93: [21:51:51] reactant atom-mapping number 20 found multiple times.
-93: [21:51:51] reactant atom-mapping number 21 found multiple times.
-93: [21:51:51] reactant atom-mapping number 22 found multiple times.
-93: [21:51:51] reactant atom-mapping number 23 found multiple times.
-93: [21:51:51] reactant atom-mapping number 24 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-90:  done
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test GitHub issue 15
-93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 5 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 5 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 5 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 5 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] product atom-mapping number 4 found multiple times.
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test GitHub issue 409
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-93: [21:51:51] product atom-mapping number 3 found multiple times.
-93: [21:51:51] product atom-mapping number 2 found multiple times.
-93: [21:51:51] product atom-mapping number 1 found multiple times.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-93: [21:51:51] product atom-mapping number 6 not found in reactants.
-93: [21:51:51] product atom-mapping number 7 not found in reactants.
-93: [21:51:51] product atom-mapping number 8 not found in reactants.
-93: [21:51:51] product atom-mapping number 7 not found in reactants.
-93: [21:51:51] product atom-mapping number 8 not found in reactants.
-93: [21:51:51] product atom-mapping number 9 not found in reactants.
-93: [21:51:51] product atom-mapping number 10 not found in reactants.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 6 
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test chiral matching
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-93: [21:51:51] product atom-mapping number 7 not found in reactants.
-93: [21:51:51] product atom-mapping number 8 not found in reactants.
-93: [21:51:51] product atom-mapping number 9 not found in reactants.
-93: [21:51:51] product atom-mapping number 10 not found in reactants.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 6 
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test dative-bond matching
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test cis/trans matching
-93: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
-93: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
 61: Test
 61: 
-61:  Sotorasib_atropBad2.cxsmi
+61:  Mrtx1719_atrop1.cxsmi
 61: 
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Test cis/trans matching part 2
-90: [21:51:51]   done
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
-90: [21:51:51]   done
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-90: [21:51:51] -------------------------------------
-90: [21:51:51]     Testing matching E/Z against Cis/Trans stereo bonds
-96: Randomness seeded to: 1333105
-96: [21:51:51] atom 0 in product 0 has multiple charge specifications.
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 34
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 36
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 38
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 40
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 42
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 87
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 89
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 91
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 93
-96: [21:51:51] Found a SCD/SED line with missing/empty SDT specification at line 95
-90: [21:51:51] 
-90: 
-90: ****
-90: Pre-condition Violation
-90: matches must not be empty
-90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-90: Failed Expression: !matches.empty()
-90: ----------
-90: Stacktrace:
-90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x00005614F3C5042D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x00005614F3C40C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x00007F58AB230CA8 in /lib/x86_64-linux-gnu/libc.so.6
-90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-90:  8# 0x00005614F3C40DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: ----------
-90: ****
-90: 
-90: [21:51:51] 
-90: 
-90: ****
-90: Pre-condition Violation
-90: matches must not be empty
-90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-90: Failed Expression: !matches.empty()
-90: ----------
-90: Stacktrace:
-90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x00005614F3C3B420 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x00005614F3C40C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x00007F58AB230CA8 in /lib/x86_64-linux-gnu/libc.so.6
-90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-90:  8# 0x00005614F3C40DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: ----------
-90: ****
-90: 
-90: [21:51:51] -------------------------------------
-90: [21:51:51] Test substructure matching with a pathological case for symmetric SSSR
-90: [21:51:51] -------------------------------------
-90: [21:51:51] Test isAtomTerminalRGroupOrQueryHydrogen
-96: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-61: [21:51:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-96: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [21:51:51] SMARTS Parse Error: unclosed ring for input: 'CC1'
-96: [21:51:51] SMILES Parse Error: unclosed ring for input: 'CC1'
-96: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [21:51:51] product atom-mapping number 2 not found in reactants.
-96: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [21:51:51] product atom-mapping number 2 not found in reactants.
-96: [21:51:51] CX Extensions: Substance group hierarchy is not always preserved.
-96: [21:51:51] CX Extensions: Substance group hierarchy is not always preserved.
- 77/235 Test  #90: testSubstructMatch .....................   Passed    0.76 sec
-test 97
-        Start  97: pyChemReactions
+61: Test
+61: 
+61:  Mrtx1719_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atropBad1.cxsmi
+61: 
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+ 80/235 Test #102: tautomerQueryTestCatch .................   Passed    0.22 sec
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+test 122
+        Start 122: testGETAWAY
 
-97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
-97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-97: Test timeout computed to be: 1500
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
-96: [21:51:51] reactant 0 has no mapped atoms.
-96: [21:51:51] product 0 has no mapped atoms.
-96: [21:51:51] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [21:51:51] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [21:51:51] Explicit valence for atom # 1 O, 5, is greater than permitted
-96: ===============================================================================
-96: All tests passed (722 assertions in 30 test cases)
-96: 
- 78/235 Test  #96: rxnTestCatch ...........................   Passed    0.16 sec
-test 98
-        Start  98: pyChemReactionEnumerations
+122: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
+122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+122: Test timeout computed to be: 1500
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+61: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [06:34:55] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: 100
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 81/235 Test  #66: testDepictor ...........................   Passed    0.40 sec
+test 123
+        Start 123: testAUTOCORR3D
 
-98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
-98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-98: Test timeout computed to be: 1500
+123: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
+123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+123: Test timeout computed to be: 1500
+30: ......[06:34:55] Molecule does not have explicit Hs. Consider calling AddHs()
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
 69:  badWedgeError.sdf
@@ -21622,18 +22477,38 @@
 69: 
 69:  MulticenterSgroup.mrv
 69: 
-69: [21:51:51] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-69: [21:51:51] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-68: .....
-68: ----------------------------------------------------------------------
-68: Ran 19 tests in 0.923s
-68: 
-68: OK
-93: [21:51:51] product atom-mapping number 17 not found in reactants.
-93: [21:51:51] product atom-mapping number 18 not found in reactants.
-93: [21:51:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 12 
-95: 30000000 30000000
+69: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+69: [06:34:55] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: [06:34:55] == testCartesianProduct
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104: Finished
+104: -----------------------
+104:  testRootedSubgraphs
+104: Finished
+104: -----------------------
+104:  testRootedPaths
+104: Finished
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 82/235 Test #104: testSubgraphs1 .........................   Passed    0.28 sec
+test 124
+        Start 124: testCoulombMat
+
+124: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat
+124: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+124: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
 69:  GenericSgroup.mrv
@@ -21666,9 +22541,10 @@
 69: 
 69:  MarvinBadMissingMolID.mrv
 69: 
-69: [21:51:51] 
+69: [06:34:55] 
 69: 
 69: ****
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test Assert
 69: Expression Failed: 
 69: Violation occurred on line 329 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
@@ -21677,12 +22553,12 @@
 69: Stacktrace:
 69:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 69:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-69:  2# 0x000055DA2177599F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  3# 0x000055DA2178069C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  4# 0x000055DA2176DA5D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  5# 0x00007EFDCC230CA8 in /lib/x86_64-linux-gnu/libc.so.6
+69:  2# 0x000055A12B89699F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  3# 0x000055A12B8A169C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  4# 0x000055A12B88EA5D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  5# 0x00007FDC73633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 69:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-69:  7# 0x000055DA2176DBE1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  7# 0x000055A12B88EBE1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
 69: ----------
 69: ****
 69: 
@@ -21691,6 +22567,9 @@
 69:  MarvinBadMissingAtomID.mrv
 69: 
 69: Expected id, elementType for an atom definition in MRV file
+98: .[06:34:55] == testEnumerateLibrary
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
 69:  MarvinBadX2.mrv
@@ -21698,714 +22577,162 @@
 69: The values x2 and y2 must be large floats in MRV file
 69: Test
 69: 
-69:  MarvinBadY2.mrv
-69: 
-69: The values x2 and y2 must be large floats in MRV file
-69: Test
-69: 
-69:  MarvinBadStereoGroupsAbs.mrv
-69: 
-69: Unrecognized group definition
-69: Test
-69: 
-69:  MarvinBadElementType.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondAtomRefs
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondOrder.mrv
-69: 
-69: bond must have one of:  order, queryType, or convention in MRV File 
-69: Test
-69: 
-69:  MarvinBadMissingSruMolID.mrv
-69: 
-69: Expected a molID in MRV file
-69: Test
-69: 
-69:  MarvinBadMissingSruID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruRole.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruAtomRef.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruTitle.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruRole.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruConnect.mrv
-69: 
-69: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachBond.mrv
-69: 
-69: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachOrder.mrv
-69: 
-69: Order for an AttachmentPoint definition must be an integer in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupMissingAttachBond.mrv
-69: 
-69: No attachment point found for bond to the condensed atom in a superatomSgroup
-69: Test
-69: 
-69:  MarvinBadSupMissingAttachOrder.mrv
-69: 
-69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
-61: Test
-61: 
-61:  Sotorasib_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atropBad1.cxsmi
-61: 
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-89: Randomness seeded to: 1461379606
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-61: [21:51:51] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: [21:51:51] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: [21:51:51] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: 
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: [21:51:51] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: -------------
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: CCOc1ccccc1
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
- 79/235 Test  #68: pyDepictor .............................   Passed    1.91 sec
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-test 99
-        Start  99: pyChemReactionSanitize
-
-99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
-99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-99: Test timeout computed to be: 1500
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [21:51:52] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  Cubane.mrv
-69: 
-69: Test
-69: 
-69:  FalseAtropisomer.mrv
-69: 
-69: Test
-69: 
-69:  AtropEnhancedStereo.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChirals.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced2.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced3.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d_chiral.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop5.mrv
-69: 
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: Test
-61: 
-61:  Mrtx1719_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atropBad1.cxsmi
-61: 
-61: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-36: [21:51:52] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
-61: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+69:  MarvinBadY2.mrv
+69: 
+69: The values x2 and y2 must be large floats in MRV file
 69: Test
 69: 
-69:  BMS-986142_atrop6.mrv
+69:  MarvinBadStereoGroupsAbs.mrv
 69: 
+69: Unrecognized group definition
+103: .....
+103: ----------------------------------------------------------------------
+103: Ran 5 tests in 0.043s
+103: 
+103: OK
 69: Test
 69: 
-69:  BMS-986142_atrop7.mrv
+69:  MarvinBadElementType.mrv
 69: 
 69: Test
 69: 
-69:  BMS-986142_atrop8.mrv
+69:  MarvinBadMissingBondID.mrv
 69: 
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 69: Test
 69: 
-69:  BMS-986142_atropBad2.mrv
+69:  MarvinBadMissingBondAtomRefs
 69: 
-69: [21:51:52] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-36: F/C=C/Cl
-36: [H]/C(F)=C(/[H])Cl
-36: F/C=C/Cl
-36: F/C=C/Cl
-36: C/C(F)=C(/C)Cl
-36: [21:51:52] -----------------------
-36:  Testing isRingFused 
- 80/235 Test  #36: graphmolMolOpsTest .....................   Passed    3.55 sec
-test 100
-        Start 100: testChemTransforms
-
-100: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
-100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
-100: Test timeout computed to be: 1500
-41: [21:51:52] done: 500000
-41: [21:51:52] Done
 69: Test
 69: 
-69:  JDQ443_3d.mrv
+69:  MarvinBadMissingBondOrder.mrv
 69: 
+69: bond must have one of:  order, queryType, or convention in MRV File 
 69: Test
 69: 
-69:  JDQ443_atrop1.mrv
+69:  MarvinBadMissingSruMolID.mrv
 69: 
+69: Expected a molID in MRV file
+91: Randomness seeded to: 2299924809
+91: ===============================================================================
+91: All tests passed (242 assertions in 12 test cases)
+91: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
-69:  JDQ443_atrop2.mrv
+69:  MarvinBadMissingSruID.mrv
 69: 
 69: Test
 69: 
-69:  JDQ443_atrop3.mrv
+69:  MarvinBadMissingSruRole.mrv
 69: 
 69: Test
 69: 
-69:  JDQ443_atropBad1.mrv
+69:  MarvinBadMissingSruAtomRef.mrv
 69: 
-69: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-41: [21:51:52] Testing hanoi with a functor.
-41: [21:51:52] Done
-41: [21:51:52] Testing basic partition refinement.
-41: [21:51:52] Done
-41: [21:51:52] Testing partition refinement with neighbors.
-41: [21:51:52] Done
-41: [21:51:52] testing canonicalization via tie breaking.
-41: [21:51:52] Done
-41: [21:51:52] testing canonicalization using the wrapper.
-100: 1 smi: CC
-100: 1 smi: CC
-100: 2 smi: CCO[C@H](N)P
-100: 2 smi: CC
-100: replaceSub smi1:CCP(CC)[C@@H](N)O
-100: replaceSub smi1:CCNCC
-100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
-100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
 69: Test
 69: 
-69:  RP-6306_atrop1.mrv
+69:  MarvinBadMissingSruTitle.mrv
 69: 
 69: Test
 69: 
-69:  RP-6306_atrop2.mrv
+69:  MarvinBadSruAtomRef.mrv
 69: 
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
 69: Test
 69: 
-69:  RP-6306_atrop3.mrv
+69:  MarvinBadSruID.mrv
 69: 
 69: Test
 69: 
-69:  RP-6306_atrop4.mrv
+69:  MarvinBadSruRole.mrv
 69: 
 69: Test
 69: 
-69:  RP-6306_atrop5.mrv
+69:  MarvinBadSruAtomRef.mrv
 69: 
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-93: [21:51:52] reactant 0 has no mapped atoms.
-93: [21:51:52] product 0 has no mapped atoms.
-93: [21:51:52] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
-41: [21:51:52] Done
-41: [21:51:52] testing some specific ordering problems
-41: [21:51:52] Finished
-41: [21:51:52] testing chiral invariants.
-41: [21:51:52] Finished
-41: [21:51:52] testing unique ranks in w.r.t. renumbering.
-92: Randomness seeded to: 3419788079
-92: ===============================================================================
-92: All tests passed (11480 assertions in 38 test cases)
-92: 
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
+98:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
+98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
 69: Test
 69: 
-69:  RP-6306_atropBad1.mrv
+69:  MarvinBadSruAtomRef.mrv
 69: 
-69: [21:51:52] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
- 81/235 Test  #92: testGenericGroups ......................   Passed    1.21 sec
-test 101
-        Start 101: chemTransformsTestCatch
-
-101: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
-101: Test timeout computed to be: 1500
- 82/235 Test  #93: testReaction ...........................   Passed    0.92 sec
-test 102
-        Start 102: tautomerQueryTestCatch
-
-102: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
-102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
-102: Test timeout computed to be: 1500
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
 69: Test
 69: 
-69:  RP-6306_atropBad2.mrv
+69:  MarvinBadSruConnect.mrv
 69: 
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-100: [21:51:52] SMARTS Parse Error: syntax error while parsing: bar
-100: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
-98: [21:51:52] == testCartesianProduct
-41: [21:51:52] Finished
-41: [21:51:52] testing mol fragments.
-41: [21:51:52] Finished
-41: [21:51:52] testing protein round-tripping.
-101: Randomness seeded to: 44684174
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055E3F80DD1D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-97: ...[21:51:52] 
-97: 
-97: ****
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055E3F80DD1D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-98: .[21:51:52] == testEnumerateLibrary
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055E3F80DD1D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
+69: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
-69:  RP-6306_3d.mrv
+69:  MarvinBadSupAttachAtom.mrv
 69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
-69:  Sotorasib_atrop1.mrv
+69:  MarvinBadSupAttachBond.mrv
 69: 
+69: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
 69: Test
 69: 
-69:  Sotorasib_atrop2.mrv
+69:  MarvinBadSupAttachOrder.mrv
 69: 
+69: Order for an AttachmentPoint definition must be an integer in MRV file
 69: Test
 69: 
-69:  Sotorasib_atrop3.mrv
+69:  MarvinBadSupAttachAtom.mrv
 69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+124: ===================== Testing CoulombMat  =======================
 69: Test
 69: 
-69:  Sotorasib_atrop4.mrv
+69:  MarvinBadSupAttachAtom.mrv
 69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 69: Test
 69: 
-69:  Sotorasib_atrop5.mrv
+69:  MarvinBadSupAttachAtom.mrv
+69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+ 83/235 Test  #91: substructTestCatch .....................   Passed    0.38 sec
+test 125
+        Start 125: descriptorsTestCatch
+
+125: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
+125: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+125: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  MarvinBadSupMissingAttachBond.mrv
+69: 
+69: No attachment point found for bond to the condensed atom in a superatomSgroup
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  MarvinBadSupMissingAttachOrder.mrv
 69: 
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
+124: CM test 1 mat Done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 84/235 Test #124: testCoulombMat .........................   Passed    0.03 sec
+97: ...[06:34:55] 
+97: 
+97: ****
+test 126
+        Start 126: pyMolDescriptors
+
+126: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
+126: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
+126: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 97: Pre-condition Violation
 97: getNumImplicitHs() called without preceding call to calcImplicitValence()
 97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
@@ -22437,7 +22764,7 @@
 97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
 97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
 97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x00007F6C2169262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x00007F657912162C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
@@ -22448,17 +22775,17 @@
 97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x00007F6C1F3B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x00007F6C1F3B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x00007F6C1F3B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x00007F6C1F3B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x00007F6C1F3B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x00007F6576DB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x00007F6576DB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x00007F6576DB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x00007F6576DB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x00007F6576DB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x00007F6C2168F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x00007F657911E3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 47# _PyObject_MakeTpCall in /usr/bin/python3
 97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
 97: 49# 0x00000000005BEE79 in /usr/bin/python3
@@ -22490,54 +22817,17 @@
 97: 75# 0x000000000067EB1E in /usr/bin/python3
 97: 76# Py_RunMain in /usr/bin/python3
 97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x00007F6C220C0CA8 in /lib/x86_64-linux-gnu/libc.so.6
+97: 78# 0x00007F6579B26CA8 in /lib/x86_64-linux-gnu/libc.so.6
 97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 97: 80# _start in /usr/bin/python3
 97: ----------
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 97: ****
 97: 
-97: [21:51:52] 
+97: [06:34:55] 
 97: 
 97: ****
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055E3F80DD1D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
-98:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
-98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
- 83/235 Test #100: testChemTransforms .....................   Passed    0.26 sec
-test 103
-        Start 103: pyTautomerQuery
-
-103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
-103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
-103: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 97: Pre-condition Violation
 97: getNumImplicitHs() called without preceding call to calcImplicitValence()
 97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
@@ -22569,7 +22859,7 @@
 97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
 97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
 97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x00007F6C2169262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x00007F657912162C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
@@ -22580,17 +22870,17 @@
 97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x00007F6C1F3B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x00007F6C1F3B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x00007F6C1F3B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x00007F6C1F3B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x00007F6C1F3B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x00007F6576DB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x00007F6576DB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x00007F6576DB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x00007F6576DB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x00007F6576DB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x00007F6C2168F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x00007F657911E3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 97: 47# _PyObject_MakeTpCall in /usr/bin/python3
 97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
 97: 49# 0x00000000005BEE79 in /usr/bin/python3
@@ -22622,289 +22912,311 @@
 97: 75# 0x000000000067EB1E in /usr/bin/python3
 97: 76# Py_RunMain in /usr/bin/python3
 97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x00007F6C220C0CA8 in /lib/x86_64-linux-gnu/libc.so.6
+97: 78# 0x00007F6579B26CA8 in /lib/x86_64-linux-gnu/libc.so.6
 97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 97: 80# _start in /usr/bin/python3
 97: ----------
 97: ****
 97: 
-101: [21:51:52] Incomplete atom labelling, cannot make bond
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055E3F80DD1D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-101: [21:51:52] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: zipped Bond already exists, perhaps labels are duplicated
-101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx())
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  5# 0x000055E3F80D247D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055E3F812EF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055E3F812FA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055E3F812FEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055E3F81016C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055E3F8101A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x000055E3F80D167E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 12# 0x00007FE969C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 14# 0x000055E3F80D16C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-101: ===============================================================================
-101: All tests passed (674 assertions in 9 test cases)
-101: 
- 84/235 Test #101: chemTransformsTestCatch ................   Passed    0.14 sec
-test 104
-        Start 104: testSubgraphs1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 85/235 Test #103: pyTautomerQuery ........................   Passed    0.34 sec
+test 127
+        Start 127: pyMolDescriptors3D
 
-104: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
-104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-104: Test timeout computed to be: 1500
-97: .........[21:51:52] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [21:51:52] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [21:51:52] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [21:51:52] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: .[21:51:52] product atom-mapping number 1 found multiple times.
-97: [21:51:52] product atom-mapping number 1 found multiple times.
-69: Test
-69: 
-69:  Sotorasib_atropBad1.mrv
-69: 
-69: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-69: Test
-69: 
-69:  Sotorasib_atropBad2.mrv
-69: 
-69: [21:51:52] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-97: ................[21:51:52] mapped atoms in the reactants were not mapped in the products.
+127: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/test3D.py"
+127: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
+127: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: .........[06:34:55] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [06:34:55] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [06:34:55] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [06:34:55] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: .[06:34:55] product atom-mapping number 1 found multiple times.
+97: [06:34:55] product atom-mapping number 1 found multiple times.
+98: ..[06:34:55] == testRGroupState
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
+108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[06:34:55] == testRandomEnumerateAllBBsLibrary
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: ** [1, 1]
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: ** [0, 2]
+98: ** [1, 0]
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ................[06:34:55] mapped atoms in the reactants were not mapped in the products.
 97:   unmapped numbers are: 3 
-97: [21:51:52] mapped atoms in the reactants were not mapped in the products.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [06:34:55] mapped atoms in the reactants were not mapped in the products.
 97:   unmapped numbers are: 3 
-104: -----------------------
-104:  Subgraph retrieval
-104: Finished
-104: -----------------------
-104:  testSubgraphs2a
-104: Finished
-104: -----------------------
-104:  testSubgraphs2
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test VSA descriptors.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test molecular formula calculation.
 97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
 97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
-97: [21:51:52] mapped atoms in the reactants were not mapped in the products.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Issue 3415534.
+111: [06:34:55]   done
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test Issue3433771: Bad definition for Crippen atom type O11.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [06:34:55]   done
+98: .[06:34:55] == testRandomEnumerateLibrary
+111: [06:34:55] -------------------------------------
+111: [06:34:55]     Test multithreading
+111: reading molecules
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test GitHub issue 15
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test GitHub issue 409
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [06:34:55] mapped atoms in the reactants were not mapped in the products.
 97:   unmapped numbers are: 3 
-98: ..[21:51:52] == testRGroupState
-70: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-97: ..[21:51:52] reactant 2 has no mapped atoms.
-97: [21:51:52] reactant 2 has no mapped atoms.
-97: [21:51:52] product 1 has no mapped atoms.
-98: .[21:51:52] == testRandomEnumerateAllBBsLibrary
-70: [21:51:52]  deprecated group abbreviation ignored on line 24
-98: ** [1, 1]
-98: ** [0, 2]
-98: ** [1, 0]
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [21:51:52] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x00007FD1922C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x00007FD1922D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x00007FD1922D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x00005585B7CC7CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x00005585B7D2E492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x00005585B7CAE9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x00007FD191830CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70: 14# 0x00005585B7CAEB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-97: ........[21:51:52] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
-97: [21:51:52] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
-97: .[21:51:52] reactant atom-mapping number 1 found multiple times.
-97: [21:51:52] product atom-mapping number 2 not found in reactants.
-97: [21:51:52] mapped atoms in the reactants were not mapped in the products.
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test chiral matching
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test dative-bond matching
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test cis/trans matching
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Test cis/trans matching part 2
+90: [06:34:55]   done
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
+90: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 200
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ..[06:34:55] reactant 2 has no mapped atoms.
+97: [06:34:55] reactant 2 has no mapped atoms.
+97: [06:34:55] product 1 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [06:34:55] -------------------------------------
+90: [06:34:55]     Testing matching E/Z against Cis/Trans stereo bonds
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[06:34:55] == testRandomSample
+90: [06:34:55] 
+90: 
+90: ****
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: Pre-condition Violation
+90: matches must not be empty
+90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+90: Failed Expression: !matches.empty()
+90: ----------
+90: Stacktrace:
+90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  4# 0x000055FEB489842D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x000055FEB4888C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x00007FDA91033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+90:  8# 0x000055FEB4888DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: ----------
+90: ****
+90: 
+90: [06:34:55] 
+90: 
+90: ****
+90: Pre-condition Violation
+90: matches must not be empty
+90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+90: Failed Expression: !matches.empty()
+90: ----------
+90: Stacktrace:
+90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  4# 0x000055FEB4883420 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x000055FEB4888C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x00007FDA91033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+90:  8# 0x000055FEB4888DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: ----------
+90: ****
+90: 
+90: [06:34:55] -------------------------------------
+90: [06:34:55] Test substructure matching with a pathological case for symmetric SSSR
+98: .[06:34:55] == testRandomSampleAllBBs
+90: [06:34:55] -------------------------------------
+90: [06:34:55] Test isAtomTerminalRGroupOrQueryHydrogen
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ........[06:34:55] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [06:34:55] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: .[06:34:55] reactant atom-mapping number 1 found multiple times.
+97: [06:34:55] product atom-mapping number 2 not found in reactants.
+97: [06:34:55] mapped atoms in the reactants were not mapped in the products.
 97:   unmapped numbers are: 4 
-97: [21:51:52] product atom-mapping number 5 not found in reactants.
-98: .[21:51:52] == testRandomEnumerateLibrary
-98: .[21:51:52] == testRandomSample
-98: .[21:51:52] == testRandomSampleAllBBs
-97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
-97:   png = open(fname, 'rb').read()
-97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 34
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 36
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 38
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 40
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 42
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 87
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 89
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 91
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 93
-97: [21:51:52] Found a SCD/SED line with missing/empty SDT specification at line 95
-69: Test
-69: 
-69:  Sotorasib_3d.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atropBad1.mrv
-69: 
-69: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-98: .[21:51:52]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: [21:51:52]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: .[21:51:52] == testRemoveBadMatches
-98: .[21:51:52] == testTimings
-97: ..[21:51:52] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-97: [21:51:52] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [21:51:52] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-97: [21:51:52] reaction has no reactants
-97: [21:51:52] reaction has no products
-97: [21:51:52] initialization failed
-97: [21:51:52] reaction has no reactants
-97: [21:51:52] reaction has no products
-104: Finished
-104: -----------------------
-104:  Path retrieval
-104: Finished
-104: -----------------------
-104:  Path retrieval2
-104: Finished
-104: -----------------------
-104:  Unique Subgraph retrieval
-104: Finished
-104: -----------------------
-104:  testUniqueSubgraphs2
-97: .[21:51:52] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-97: [21:51:52] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [21:51:52] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [21:51:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-97: [21:51:52] reaction has no reactants
-97: [21:51:52] reaction has no products
-97: [21:51:52] initialization failed
-97: [21:51:52] reaction has no reactants
-97: [21:51:52] reaction has no products
-97: .
-97: ----------------------------------------------------------------------
-97: Ran 54 tests in 0.322s
-97: 
-97: OK
-97: ********************************************
-97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
-97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7f6c1d35b7d0>
-99: .[21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-70: [21:51:52] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [21:51:52] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-99: .[21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
+97: [06:34:55] product atom-mapping number 5 not found in reactants.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+116: [06:34:55]   done
+ 86/235 Test  #90: testSubstructMatch .....................   Passed    0.46 sec
+test 128
+        Start 128: testFingerprints
+
+128: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
+128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+128: Test timeout computed to be: 1500
+98: .[06:34:55]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: [06:34:55]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: .[06:34:55] == testRemoveBadMatches
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+116: [06:34:55] -------------------------------------
+116: [06:34:55]     PBF edge cases.
+116: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[06:34:55] == testTimings
+ 87/235 Test #116: testPBF ................................   Passed    0.29 sec
+125: Randomness seeded to: 1577171308
+125: Warning: Atom Count for residue GLU5A does not match expected count
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 129
+        Start 129: testMHFPFingerprint
+
+129: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
+129: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+129: Test timeout computed to be: 1500
+125: Warning: Atom Count for residue ASN39A does not match expected count
+125: Warning: Atom Count for residue GLU53A does not match expected count
+125: Warning: Atom Count for residue ARG64A does not match expected count
+125: Warning: Atom Count for residue LYS80A does not match expected count
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: processing
+111:  launch :0
+111:  launch :1
+111:  launch :2
+111:  launch :3
+ 88/235 Test #107: filterCatalogTest ......................   Passed    0.39 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 130
+        Start 130: testFingerprintGenerators
+
+130: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
+130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+130: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: .[06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+68: ..............[06:34:55] SMILES Parse Error: syntax error while parsing: invalidsmiles
+68: [06:34:55] SMILES Parse Error: check for mistakes around position 1:
+68: [06:34:55] invalidsmiles
+125: Warning: Atom Count for residue GLU150A does not match expected count
+68: [06:34:55] ^
+68: [06:34:55] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
+125: Warning: Atom Count for residue ASN157A does not match expected count
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+129: [06:34:55] -------------------------------------
+129: [06:34:55] Test MHFP fingerprint encoder initialization
+99: .[06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 99: ()
 99: ********************************************
 99: $RXN
@@ -23268,1722 +23580,13 @@
 99:   1  2  1  0
 99: M  ISO  2   1   1   2   2
 99: M  END
-99: [21:51:52] reactant 0 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] product 0 has no mapped atoms.
-99: [21:51:52] Could not find RLabel mapping for atom: 0 in template: 1
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: [21:51:52] reactant 1 has no mapped atoms.
-99: ..
-99: ----------------------------------------------------------------------
-99: Ran 4 tests in 0.054s
-99: 
-69: Test
-69: 
-69:  mrtx1719_3d.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atropBad1.mrv
-69: 
-69: [21:51:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-99: OK
-99: 
-99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
-99: $RXN
-99: 
-99:       RDKit
-99: 
-99:   2  1
-99: $MOL
-99: 
-99:      RDKit          2D
-99: 
-99:   2  1  0  1  0  0  0  0  0  0999 V2000
-99:    -3.2730   -7.0542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
-99:    -3.9875   -7.4667    0.0000 R#  0  0  0  0  0  0  0  0  0  1  0  0
-99:   1  2  1  0
-99: M  RGP  1   2   1
-99: V    1 halogen.bromine.aromatic
-99: V    2 [*:1]
-99: M  STY  1   1 DAT
-99: M  SAL   1  1   1
-99: M  SED   1 [#35&$([Br&$(Br-&!@c)])]
-99: M  END
-99: $MOL
-99: 
-99:      RDKit          2D
-99: 
-99:   4  3  0  1  0  0  0  0  0  0999 V2000
-99:     3.4375   -7.7917    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0
-99:     4.1520   -7.3792    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
-99:     4.1520   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-99:     4.8664   -7.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
-99:   2  3  1  0
-99:   1  2  1  0
-99:   2  4  1  0
-99: M  ISO  1   1   3
-99: V    2 boronicacid
-99: M  STY  1   1 DAT
-99: M  SAL   1  1   2
-99: M  SED   1 [#5&$([$(B-&!@[#6])](O)O)]
-99: M  END
-99: $MOL
-99: 
-99:      RDKit          2D
-99: 
-99:   2  1  0  0  0  0  0  0  0  0999 V2000
-99:    11.2667   -7.3417    0.0000 R#  0  0  0  0  0  0  0  0  0  1  0  0
-99:    11.9811   -6.9292    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0
-99:   1  2  1  0
-99: M  ISO  1   2   2
-99: M  RGP  1   1   1
-99: V    1 [*:1]
-99: M  END
-99: 
-99: $RXN Failed
- 85/235 Test  #97: pyChemReactions ........................   Passed    1.10 sec
-test 105
-        Start 105: testSubgraphs2
-
-105: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
-105: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-105: Test timeout computed to be: 1500
-105: -----------------------
-105:  Test1: pathToSubmol
-70: ----------------------------------
-70: ----------------------------------
-70: [21:51:52] 
-70: 
-70: ****
-70: Pre-condition Violation
-70: rlabel out of range for MDL files
-70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
-70: Failed Expression: rlabel >= 0 && rlabel < 100
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x00005585B7CD509F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x00005585B7D2E50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x00005585B7CAE9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x00007FD191830CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70:  8# 0x00005585B7CAEB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-70: [21:51:52] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-105: Finished
-105: -----------------------
-105:  Test2: Atom Environments
-105: Finished
-105: -----------------------
-105: Test 3: Atom Environments (Extension)
-105: Finished
-105: -----------------------
-105:  Testing github Issue103: stereochemistry and pathToSubmol
-105: Finished
-105: -----------------------
-105:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
-105: Finished
- 86/235 Test #105: testSubgraphs2 .........................   Passed    0.09 sec
-test 106
-        Start 106: subgraphsCatch
-
-106: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
-106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-106: Test timeout computed to be: 1500
- 87/235 Test  #99: pyChemReactionSanitize .................   Passed    0.96 sec
-test 107
-        Start 107: filterCatalogTest
-
-107: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
-107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
-107: Test timeout computed to be: 1500
-102: Randomness seeded to: 1111279912
-102: ===============================================================================
-102: All tests passed (93 assertions in 13 test cases)
-102: 
-106: Randomness seeded to: 703165432
-106: ---------
-106: ===============================================================================
-106: All tests passed (11 assertions in 1 test case)
-106: 
- 88/235 Test #102: tautomerQueryTestCatch .................   Passed    0.62 sec
-test 108
-        Start 108: pyFilterCatalog
-
-108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
-108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
-108: Test timeout computed to be: 1500
- 89/235 Test #106: subgraphsCatch .........................   Passed    0.09 sec
-test 109
-        Start 109: testFragCatalog
-
-109: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog
-109: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  FalseAtropisomer.mrv
-69: 
-69: Test
-69: 
-69:  AtropEnhancedStereo.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChirals.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced2.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced3.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d_chiral.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop5.mrv
-69: 
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-104: Finished
-104: -----------------------
-104:  testRootedSubgraphs
-104: Finished
-104: -----------------------
-104:  testRootedPaths
-104: Finished
- 90/235 Test #104: testSubgraphs1 .........................   Passed    0.55 sec
-test 110
-        Start 110: pyFragCatalog
-
-110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
-110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
-110: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  BMS-986142_atrop6.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop7.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop8.mrv
-69: 
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-89: [21:51:53] Explicit valence for atom # 9 N, 6, is greater than permitted
-69: Test
-69: 
-69:  BMS-986142_atropBad2.mrv
-69: 
-69: [21:51:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-109:  21
-69: Test
-69: 
-69:  JDQ443_3d.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atropBad1.mrv
-69: 
-69: [21:51:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-70: [21:51:53] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [21:51:53] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-41: [21:51:53] Finished
-41: [21:51:53] testing stability w.r.t. renumbering.
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason hzone_phenol_A(479)
-107: v = { 
-107: 	0,23},
-107: 	1,22},
-107: 	2,20},
-107: 	3,19},
-107: 	4,25},
-107: 	5,24},
-107: 	6,18},
-107: 	7,17},
-107: 	8,16},
-107: 	9,21},
-107: }
-107: match = { 
-107: 	0,23},
-107: 	1,22},
-107: 	2,20},
-107: 	3,19},
-107: 	4,25},
-107: 	5,24},
-107: 	6,18},
-107: 	7,17},
-107: 	8,16},
-107: 	9,21},
-107: }
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason cyano_imine_B(17)
-107: v = { 
-107: 	0,11},
-107: 	1,12},
-107: 	2,13},
-107: 	3,14},
-107: 	4,15},
-107: 	5,10},
-107: 	6,9},
-107: 	7,8},
-107: 	8,7},
-107: 	9,6},
-107: 	10,5},
-107: 	11,17},
-107: 	12,16},
-107: }
-107: match = { 
-107: 	0,11},
-107: 	1,12},
-107: 	2,13},
-107: 	3,14},
-107: 	4,15},
-107: 	5,10},
-107: 	6,9},
-107: 	7,8},
-107: 	8,7},
-107: 	9,6},
-107: 	10,5},
-107: 	11,17},
-107: 	12,16},
-107: }
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason keto_keto_gamma(5)
-107: v = { 
-107: 	0,0},
-107: 	1,1},
-107: 	2,2},
-107: 	3,4},
-107: 	4,5},
-107: 	5,6},
-107: 	6,7},
-107: 	7,8},
-107: 	8,9},
-107: 	9,14},
-107: 	10,15},
-107: 	11,16},
-107: }
-107: match = { 
-107: 	0,0},
-107: 	1,1},
-107: 	2,2},
-107: 	3,4},
-107: 	4,5},
-107: 	5,6},
-107: 	6,7},
-107: 	7,8},
-107: 	8,9},
-107: 	9,14},
-107: 	10,15},
-107: 	11,16},
-107: }
-69: Test
-69: 
-69:  RP-6306_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop5.mrv
-69: 
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: Test
-69: 
-69:  RP-6306_atropBad1.mrv
-69: 
-69: [21:51:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-69: Test
-69: 
-69:  RP-6306_atropBad2.mrv
-69: 
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [21:51:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-41: [21:51:53] Finished
-41: [21:51:53] testing smiles round-tripping.
-69: Test
-69: 
-69:  RP-6306_3d.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop5.mrv
-69: 
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [21:51:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: Test
-69: 
-69:  Sotorasib_atropBad1.mrv
-69: 
-69: [21:51:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-69: Test
-69: 
-69:  Sotorasib_atropBad2.mrv
-69: 
-69: [21:51:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-89: [21:51:53] Explicit valence for atom # 3 Al, 6, is greater than permitted
-70: [21:51:53] Empty atom list: 'M  ALS   1  0 F' on line 8.
-103: .....
-103: ----------------------------------------------------------------------
-103: Ran 5 tests in 0.137s
-103: 
-103: OK
-69: Test
-69: 
-69:  Sotorasib_3d.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atropBad1.mrv
-69: 
-69: [21:51:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-89: [21:51:53] Explicit valence for atom # 4 Al, 6, is greater than permitted
-41: [21:51:53] Finished
-41: [21:51:53] testing github #1567: Non-canonical result from MolFragmentToSmiles()
-41: [21:51:53] Finished
- 91/235 Test  #41: hanoiTest ..............................   Passed    3.98 sec
-test 111
-        Start 111: testDescriptors
-
-111: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
-111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-111: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  mrtx1719_3d.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atropBad1.mrv
-69: 
-69: [21:51:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-89: [21:51:53] Explicit valence for atom # 10 Si, 6, is greater than permitted
-70: de_DE.UTF-8
-70: [21:51:53] -------------------------------------
-70: [21:51:53]     Test multithreading Locale Switching
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Crippen parameter acquisition.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Crippen calculation.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Issue262: problems with Crippen calculation from pickles.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test AMW calculation.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Exact MW calculation.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Labute ASA descriptors.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test TPSA descriptors.
-110: .........
-110: ----------------------------------------------------------------------
-110: Ran 9 tests in 0.085s
-110: 
-110: OK
- 92/235 Test #107: filterCatalogTest ......................   Passed    0.68 sec
-test 112
-        Start 112: testAUTOCORR2D
-
-112: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
-112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-112: Test timeout computed to be: 1500
- 93/235 Test #103: pyTautomerQuery ........................   Passed    1.16 sec
-test 113
-        Start 113: testATF
-
-113: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF
-113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-113: Test timeout computed to be: 1500
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Lipinski parameters.
- 94/235 Test #110: pyFragCatalog ..........................   Passed    0.62 sec
-test 114
-        Start 114: testBCUT
-
-114: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
-114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-114: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  AlexRxn.mrv
-69: 
-69: Test
-69: 
-69:  BadReactionSign.mrv
-69: 
-69: Test
-69: 
-69:  bondArray_node.mrv
-69: 
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  marvin04.mrv
-69: 
-69: Test
-69: 
-69:  marvin08.mrv
-69: 
-69: Test
-69: 
-69:  marvin09.mrv
-69: 
-69: Test
-69: 
-69:  marvin11.mrv
-69: 
-69: Test
-69: 
-69:  marvin05.mrv
-69: 
-69: Test
-69: 
-69:  EmptyRxn.mrv
-69: 
-69: [21:51:53] initialization failed
-70: [21:51:53]     Test multithreading (Done)
-70: [21:51:53] -------------------------------------
-112: [21:51:53] ----------------------------
-112: start test autocorr2D
-108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
-108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
- 95/235 Test #113: testATF ................................   Passed    0.08 sec
-test 115
-        Start 115: testEEM
-
-115: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
-115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-115: Test timeout computed to be: 1500
-70: ***************************************
-70: ***************************************
-70: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-114: [21:51:53] -------------------------------------
-114: [21:51:53]     Basic BCUT tests.
-70: [21:51:53] bond with order 0 found on line 7. This is not part of the MDL specification.
-69: Test
-69: 
-69:  RxnNoCoords.mrv
-69: 
-69: Test
-69: 
-69:  mrvValenceZero.mrv
-69: 
-69: Test
-69: 
-69:  condition_coordinates_mpoint.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  aspirineSynthesisWithAttributes.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  Vendor839
-69: 
-69: Test
-69: 
-69:  DoubleBondChain
-69: 
-69: Test
-69: 
-69:  Na_Mg_Al_OH
-69: 
-69: Test
-69: 
-69:  Pb
-69: 
-69: Test
-69: 
-69:  O_Mg_Si
-69: 
-69: Test
-69: 
-69:  SquiggleBond
-69: 
-69: Test
-69: 
-69:  BigMacrocycle
-69: 
-69: Test
-69: 
-69:  Smiles1
-69: 
- 96/235 Test  #69: testMrvToMol ...........................   Passed    3.68 sec
-test 116
-        Start 116: testPBF
-
-116: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
-116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-116: Test timeout computed to be: 1500
-114: [21:51:53]   done
-114: [21:51:53] -------------------------------------
-114: [21:51:53]     Larger BCUT tests.
-115: =>start test EEM
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 0
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [21:51:53] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [21:51:53] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [21:51:53] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [21:51:53] -------------------------------------
-116: [21:51:53]     Basic PBF tests.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: generating smiles
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-70: converting back
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: check isomorphism
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test VSA descriptors.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test molecular formula calculation.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Issue 3415534.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test Issue3433771: Bad definition for Crippen atom type O11.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-111: [21:51:53]   done
-111: [21:51:53] -------------------------------------
-111: [21:51:53]     Test multithreading
-111: reading molecules
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 100
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [21:51:53] Explicit valence for atom # 2 O, 4, is greater than permitted
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-109: [21:51:53] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F682A8ADDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x00005652432F7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x00005652432F4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F6829C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x00005652432F4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-109: [21:51:53] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense no new line
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F682A8ADDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x00005652432F7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x00005652432F4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F6829C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x00005652432F4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-109: [21:51:53] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense with tab
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F682A8ADDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x00005652432F7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x00005652432F4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F6829C30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x00005652432F4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 97/235 Test #109: testFragCatalog ........................   Passed    0.96 sec
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-test 117
-        Start 117: testRDFcustom
-
-117: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
-117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-117: Test timeout computed to be: 1500
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [21:51:53] Explicit valence for atom # 3 Al, 6, is greater than permitted
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [21:51:53] Explicit valence for atom # 3 Be, 4, is greater than permitted
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-111: processing
-111:  launch :0
-111:  launch :1
-111:  launch :2
-111:  launch :3
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 200
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [21:51:54] Explicit valence for atom # 27 P, 6, is greater than permitted
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [21:51:54]   done
-116: [21:51:54] -------------------------------------
-116: [21:51:54]     PBF edge cases.
-116: [21:51:54]   done
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 98/235 Test #116: testPBF ................................   Passed    0.41 sec
-test 118
-        Start 118: testRDF
-
-118: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
-118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-118: Test timeout computed to be: 1500
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 300
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 400
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [21:51:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: Elapsed time: 0.842096 s
-115: Errors:0
-115: [21:51:54] test on : 500 molecules done
- 99/235 Test #115: testEEM ................................   Passed    0.88 sec
-test 119
-        Start 119: testMORSE
-
-119: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
-119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-119: Test timeout computed to be: 1500
-98: .
-98: ----------------------------------------------------------------------
-98: Ran 11 tests in 2.285s
-98: 
-98: OK
-98: True
-98: == CartesianProductStrategy CartesianProductStrategy
-98: 197 out of 300
-98: 0 6 out of 10
-98: 1 3 out of 5
-98: 2 4 out of 6
-98: 198 out of 300
-98: 0 10 out of 10
-98: 1 5 out of 5
-98: 2 6 out of 6
-98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7f098f7f1a80> Skipped 10000000 in 0.11971426010131836 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7f098f7f19e0> Skipped 10000000 in 1.2115187644958496 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7f098f7f18f0> Skipped 10000000 in 0.3692312240600586 seconds
-61: Test
-61: 
-61:  AtropCanon1.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropCanon2.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropCanon3.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d_chiral.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d.cxsmi
-61: 
-61: ===============================================================================
-61: All tests passed (2445 assertions in 29 test cases)
-61: 
-100/235 Test  #61: cxsmilesTest ...........................   Passed    4.79 sec
-test 120
-        Start 120: test3D
-
-120: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D
-120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-120: Test timeout computed to be: 1500
-120: [21:51:54] -------------------------------------
-120: [21:51:54]     Basic PMI tests.
-112: [21:51:54]   done
-112: [21:51:54] -------------------------------------
-112: [21:51:54]     Test Github #3806: NaNs from AUTOCORR2D descriptor
-112: [21:51:54]   done
-101/235 Test  #98: pyChemReactionEnumerations .............   Passed    3.13 sec
-test 121
-        Start 121: testWHIM
-
-121: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
-121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-121: Test timeout computed to be: 1500
-102/235 Test #112: testAUTOCORR2D .........................   Passed    1.29 sec
-test 122
-        Start 122: testGETAWAY
-
-122: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
-122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-122: Test timeout computed to be: 1500
-108: .............[21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-108: [21:51:55] SMILES Parse Error: syntax error while parsing: ---
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] ---
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [21:51:55] dasfsadf
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     More PMI/NPR tests.
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     Basic NPR tests.
-108: .[21:51:55] SMILES Parse Error: syntax error while parsing: mydoghasfleas
-108: [21:51:55] SMILES Parse Error: check for mistakes around position 1:
-108: [21:51:55] mydoghasfleas
-108: [21:51:55] ^
-108: [21:51:55] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
-89: [21:51:55] Explicit valence for atom # 9 N, 6, is greater than permitted
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-114: [21:51:55] -------------------------------------
-114: [21:51:55]     Test empty molecule BCUT.
-103/235 Test #114: testBCUT ...............................   Passed    1.89 sec
-test 123
-        Start 123: testAUTOCORR3D
-
-123: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
-123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-123: Test timeout computed to be: 1500
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     PMI edge cases.
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     NPR edge cases.
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     3D descriptors.
-108: .......
-108: ----------------------------------------------------------------------
-108: Ran 21 tests in 1.931s
-108: 
-108: OK
-108: (Five aromatic carbons And (Not any of Five aromatic carbons))
-108: (Five aromatic carbons Or (Not any of Five aromatic carbons))
-108: (Not (Five aromatic carbons And (Not any of Five aromatic carbons)))
-108: ********************************************
-108: Testing: PAINS_A 2
-108: ********************************************
-108: Testing: PAINS_B 4
-108: ********************************************
-108: Testing: PAINS_C 8
-108: ********************************************
-108: Testing: PAINS 14
-108: (Not FilterMatcher)
-108: Bar
-108: Count 1
-108: ********************************************
-108: {'Cl,Br,I'}
-108: 1
-108: 2
-108: running
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     3D descriptor edge cases.
-120: [21:51:55]   done
-120: [21:51:55] -------------------------------------
-120: [21:51:55]     Inertial shape factor.
-120: [21:51:55]   done
-104/235 Test #120: test3D .................................   Passed    0.95 sec
-test 124
-        Start 124: testCoulombMat
-
-124: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat
-124: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-124: Test timeout computed to be: 1500
-124: ===================== Testing CoulombMat  =======================
-105/235 Test #108: pyFilterCatalog ........................   Passed    2.75 sec
-test 125
-        Start 125: descriptorsTestCatch
-
-125: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
-125: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-125: Test timeout computed to be: 1500
-124: CM test 1 mat Done
-106/235 Test #124: testCoulombMat .........................   Passed    0.08 sec
-test 126
-        Start 126: pyMolDescriptors
-
-126: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
-126: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
-126: Test timeout computed to be: 1500
-121: =>start test WHIM
-121: [21:51:55] test on : 365 molecules done
-107/235 Test #121: testWHIM ...............................   Passed    0.97 sec
-test 127
-        Start 127: pyMolDescriptors3D
-
-127: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/test3D.py"
-127: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
-127: Test timeout computed to be: 1500
-29: All 191 tests passed
-125: Randomness seeded to: 1512832586
-125: Warning: Atom Count for residue GLU5A does not match expected count
-125: Warning: Atom Count for residue ASN39A does not match expected count
-125: Warning: Atom Count for residue GLU53A does not match expected count
-125: Warning: Atom Count for residue ARG64A does not match expected count
-125: Warning: Atom Count for residue LYS80A does not match expected count
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
-125: Warning: Atom Count for residue GLU150A does not match expected count
-125: Warning: Atom Count for residue ASN157A does not match expected count
-118: =>start test rdf
-118: [21:51:56] test on : 365 molecules done
-89: [21:51:56] Explicit valence for atom # 3 Al, 6, is greater than permitted
-108/235 Test #118: testRDF ................................   Passed    1.90 sec
-test 128
-        Start 128: testFingerprints
-
-128: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
-128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-128: Test timeout computed to be: 1500
-117: =>start test rdf custom
-117: [21:51:56] test on : 365 molecules done
+99: [06:34:55] reactant 0 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] product 0 has no mapped atoms.
+99: [06:34:55] Could not find RLabel mapping for atom: 0 in template: 1
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
+99: [06:34:55] reactant 1 has no mapped atoms.
 128: 
 128: 
 128: 
@@ -25039,11 +23642,72 @@
 128: 
 128: 
 128: -------------------
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: ..
+99: ----------------------------------------------------------------------
+99: Ran 4 tests in 0.031s
+99: 
+99: OK
 128: SMI: Oc1cc2[nH]cnc2c(O)n1
 128: Atoms:
 128: 	0 8 O chg: 0  deg: 1 exp: 1 imp: 1 hyb: SP2
 128: 	1 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	2 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
+99: 
+99: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
+99: $RXN
+99: 
+99:       RDKit
+99: 
+99:   2  1
+99: $MOL
+99: 
+99:      RDKit          2D
+99: 
+99:   2  1  0  1  0  0  0  0  0  0999 V2000
+99:    -3.2730   -7.0542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
+99:    -3.9875   -7.4667    0.0000 R#  0  0  0  0  0  0  0  0  0  1  0  0
+99:   1  2  1  0
+99: M  RGP  1   2   1
+99: V    1 halogen.bromine.aromatic
+99: V    2 [*:1]
+99: M  STY  1   1 DAT
+99: M  SAL   1  1   1
+99: M  SED   1 [#35&$([Br&$(Br-&!@c)])]
+99: M  END
+99: $MOL
+99: 
+99:      RDKit          2D
+99: 
+99:   4  3  0  1  0  0  0  0  0  0999 V2000
+99:     3.4375   -7.7917    0.0000 R3  0  0  0  0  0  0  0  0  0  0  0  0
+99:     4.1520   -7.3792    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
+99:     4.1520   -6.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+99:     4.8664   -7.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
+99:   2  3  1  0
+99:   1  2  1  0
+99:   2  4  1  0
+99: M  ISO  1   1   3
+99: V    2 boronicacid
+99: M  STY  1   1 DAT
+99: M  SAL   1  1   2
+99: M  SED   1 [#5&$([$(B-&!@[#6])](O)O)]
+99: M  END
+99: $MOL
+99: 
+99:      RDKit          2D
+99: 
+99:   2  1  0  0  0  0  0  0  0  0999 V2000
+99:    11.2667   -7.3417    0.0000 R#  0  0  0  0  0  0  0  0  0  1  0  0
+99:    11.9811   -6.9292    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0
+99:   1  2  1  0
+99: M  ISO  1   2   2
+99: M  RGP  1   1   1
+99: V    1 [*:1]
+99: M  END
+99: 
+99: $RXN Failed
 128: 	3 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	4 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
 128: 	5 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
@@ -25076,6 +23740,7 @@
 128: 
 128: -------------------
 128: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: SMI: c1(O)cc2[nH]cnc2c(O)n1
 128: Atoms:
 128: 	0 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
@@ -25101,6 +23766,7 @@
 128: 	8 8->9 order: 1 conj?: 1
 128: 	9 8->10 order: a conj?: 1 aromatic?: 1
 128: 	10 10->0 order: a conj?: 1 aromatic?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	11 7->3 order: a conj?: 1 aromatic?: 1
 128: 
 128: 
@@ -25187,6 +23853,10 @@
 128: 
 128: -------------------
 128: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: SMI: [nH]1c2cc(O)nc(O)c2nc1
 128: Atoms:
 128: 	0 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
@@ -25224,9 +23894,13 @@
 128: 
 128: -------------------
 128: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: SMI: c1[nH]c2cc(O)nc(O)c2n1
 128: Atoms:
 128: 	0 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+93: [06:34:55] reactant 0 has no mapped atoms.
+93: [06:34:55] product 0 has no mapped atoms.
 128: 	1 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
 128: 	2 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	3 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
@@ -25239,6 +23913,7 @@
 128: 	10 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
 128: Bonds:
 128: 	0 0->1 order: a conj?: 1 aromatic?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	1 1->2 order: a conj?: 1 aromatic?: 1
 128: 	2 2->3 order: a conj?: 1 aromatic?: 1
 128: 	3 3->4 order: a conj?: 1 aromatic?: 1
@@ -25260,7 +23935,10 @@
 128: 
 128: 
 128: -------------------
+93: [06:34:55] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
 128: 
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test atom-pair fp generator
 128: SMI: n1c[nH]c2cc(O)nc(O)c21
 128: Atoms:
 128: 	0 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
@@ -25286,6 +23964,9 @@
 128: 	8 8->9 order: 1 conj?: 1
 128: 	9 8->10 order: a conj?: 1 aromatic?: 1
 128: 	10 10->0 order: a conj?: 1 aromatic?: 1
+97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
+97:   png = open(fname, 'rb').read()
+97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
 128: 	11 10->3 order: a conj?: 1 aromatic?: 1
 128: 
 128: 
@@ -25297,11 +23978,14 @@
 128: 
 128: 
 128: -------------------
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 
 128: SMI: c12c(cc(O)nc1O)[nH]cn2
 128: Atoms:
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	0 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	1 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	2 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
 128: 	3 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	4 8 O chg: 0  deg: 1 exp: 1 imp: 1 hyb: SP2
@@ -25430,7 +24114,23 @@
 128: 	4 4->5 order: a conj?: 1 aromatic?: 1
 128: 	5 5->6 order: a conj?: 1 aromatic?: 1
 128: 	6 6->7 order: a conj?: 1 aromatic?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 34
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 36
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 38
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 40
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 42
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 87
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 89
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 91
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 93
+97: [06:34:55] Found a SCD/SED line with missing/empty SDT specification at line 95
 128: 	7 7->8 order: a conj?: 1 aromatic?: 1
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	8 8->9 order: a conj?: 1 aromatic?: 1
 128: 	9 9->10 order: 1 conj?: 1
 128: 	10 9->0 order: a conj?: 1 aromatic?: 1
@@ -25467,737 +24167,570 @@
 128: 
 128: -------------------
 128: 
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Morgan Fingerprints.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Morgan Fingerprints using fromAtoms argument.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Morgan Fingerprints as bit vects.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Morgan Fingerprints with feature invariants.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test additional Morgan fingerprints options.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Atom Codes.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Atom Pairs.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Atom Pairs part 2.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Topological Torsions.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Bulk Topological Torsions.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-125: Warning: Atom Count for residue GLU5A does not match expected count
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-70: [21:51:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [21:51:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-70: [21:51:56]  deprecated group abbreviation ignored on line 24
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [21:51:56] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x00007FD1922C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x00007FD1922D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x00007FD1922D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x00005585B7CC7CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x00005585B7D2E492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x00005585B7CAEA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x00007FD191830CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70: 14# 0x00005585B7CAEB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-89: [21:51:56] Explicit valence for atom # 4 Al, 6, is greater than permitted
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Hashed Atom Pairs.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Hashed torsions.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Rooted Atom Pairs.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test ignoring atoms in Atom Pairs.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Rooted Topological Torsions.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test ignoring atoms in Topological Torsions.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test atom info from morgan fingerprints.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test atom info from morgan fingerprints including Info Redundant Environments.
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56] -------------------------------------
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] -------------------------------------
-128: [21:51:56] -------------------------------------
-128: [21:51:56] -------------------------------------
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Atom Pairs including info about chirality.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test Topological Torsions including info about chirality.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test GitHub Issue 25: fingerprint backwards compatibility.
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test GitHub Issue 151: PatternFingerprint problems
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test 3D atom pairs.
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
-128: [21:51:56]   done
-128: [21:51:56] -------------------------------------
-128: [21:51:56]     Test multithreading with the pattern FP
-128: reading molecules
-128: pass 1
-128:  launch :0
-128:  launch :1
-128:  launch :2
-128:  launch :3
-89: [21:51:56] Explicit valence for atom # 10 Si, 6, is greater than permitted
-70: [21:51:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [21:51:56] 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: =>start test MORSE
-119: =>read file
-119: [21:51:56] test on : 365 molecules done
-109/235 Test #119: testMORSE ..............................   Passed    1.96 sec
-test 129
-        Start 129: testMHFPFingerprint
-
-129: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
-129: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-129: Test timeout computed to be: 1500
-129: [21:51:56] -------------------------------------
-129: [21:51:56] Test MHFP fingerprint encoder initialization
-70: ----------------------------------
-70: ----------------------------------
-70: [21:51:56] 
-70: 
-70: ****
-70: Pre-condition Violation
-70: rlabel out of range for MDL files
-70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
-70: Failed Expression: rlabel >= 0 && rlabel < 100
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x00005585B7CD509F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x00005585B7D2E50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x00005585B7CAEA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x00007FD191830CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70:  8# 0x00005585B7CAEB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-70: [21:51:56] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-123: =>start test autocorr3D
-123: [21:51:56] test on : 365 molecules done
-110/235 Test #123: testAUTOCORR3D .........................   Passed    1.18 sec
-test 130
-        Start 130: testFingerprintGenerators
-
-130: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
-130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-130: Test timeout computed to be: 1500
-129: [21:51:56]   done
-129: [21:51:56] -------------------------------------
-129: [21:51:56] Test MHFP shingling creation
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test atom-pair fp generator
-128: pass 2
-128:  launch :0
-128:  launch :1
-128:  launch :2
-128:  launch :3
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test atom-pair fp generator with different arguments
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-129: [21:51:56]   done
-129: [21:51:56] -------------------------------------
-129: [21:51:56] Test MHFP hashing of string and uint arrays
-129: [21:51:56]   done
-129: [21:51:56] -------------------------------------
-129: [21:51:56] Test SECFP fingerprint functionality
-130: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test atom-pair additional output
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Folded Atom Pairs.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Rooted Atom Pairs.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test ignoring atoms in Atom Pairs.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Atom Pairs including info about chirality.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Morgan Fingerprints.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test morgan fp generator
-129: [21:51:56]   done
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Morgan Fingerprints using fromAtoms argument.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Morgan Fingerprints as bit vects.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test Morgan Fingerprints with feature invariants.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Test additional Morgan fingerprints options.
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-111/235 Test #129: testMHFPFingerprint ....................   Passed    0.28 sec
+129: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+129: [06:34:55] -------------------------------------
+129: [06:34:55] Test MHFP shingling creation
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test atom-pair fp generator with different arguments
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+ 89/235 Test  #93: testReaction ...........................   Passed    0.50 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 131
         Start 131: fpTestCatch
 
 131: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
 131: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 131: Test timeout computed to be: 1500
-130: [21:51:56]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56]     Single atoms setting radius 1 bits in Morgan fingerprints  
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test different invariant generator combinations
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test invariant overriding
-130: [21:51:56]   done
-130: [21:51:56] -------------------------------------
-130: [21:51:56] Test RDKit fp generator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:51:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:51:56] DEPRECATION WARNING: please use AtomPairGenerator
-126: ..[21:51:56] 
-126: 
-126: ****
-126: Pre-condition Violation
-126: Number of atom props not equal to number of atoms
-126: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp
-126: Failed Expression: atom_props.size() == num_atoms
-126: ----------
-126: Stacktrace:
-126:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-126:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-126:  2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitDescriptors.so.1
-126:  3# 0x00007FF6A622242A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
-126:  4# 0x00007FF6A6232726 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
-126:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  6# 0x00007FF6AA32262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-126:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-126: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-126: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-126: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-126: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 17# 0x00007FF6A7FB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 18# 0x00007FF6A7FB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 19# 0x00007FF6A7FB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 20# 0x00007FF6A7FB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 21# 0x00007FF6A7FB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126: 27# 0x00007FF6AA31F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126: 28# _PyObject_MakeTpCall in /usr/bin/python3
-126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 30# 0x00000000005BEE79 in /usr/bin/python3
-126: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 32# 0x0000000000547080 in /usr/bin/python3
-126: 33# 0x00000000006AB720 in /usr/bin/python3
-126: 34# _PyObject_MakeTpCall in /usr/bin/python3
-126: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 36# 0x00000000005BEE79 in /usr/bin/python3
-126: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 38# 0x0000000000547080 in /usr/bin/python3
-126: 39# 0x00000000006AB720 in /usr/bin/python3
-126: 40# _PyObject_MakeTpCall in /usr/bin/python3
-126: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 42# 0x00000000005BEE79 in /usr/bin/python3
-126: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 44# 0x0000000000547080 in /usr/bin/python3
-126: 45# 0x00000000006AB720 in /usr/bin/python3
-126: 46# _PyObject_MakeTpCall in /usr/bin/python3
-126: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 48# 0x000000000059582E in /usr/bin/python3
-126: 49# _PyObject_MakeTpCall in /usr/bin/python3
-126: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 51# PyEval_EvalCode in /usr/bin/python3
-126: 52# 0x000000000066A861 in /usr/bin/python3
-126: 53# 0x000000000066670C in /usr/bin/python3
-126: 54# 0x000000000067F713 in /usr/bin/python3
-126: 55# 0x000000000067ECE3 in /usr/bin/python3
-126: 56# 0x000000000067EB1E in /usr/bin/python3
-126: 57# Py_RunMain in /usr/bin/python3
-126: 58# Py_BytesMain in /usr/bin/python3
-126: 59# 0x00007FF6AABF8CA8 in /lib/x86_64-linux-gnu/libc.so.6
-126: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-126: 61# _start in /usr/bin/python3
-126: ----------
-126: ****
-126: 
-125: Warning: Atom Count for residue ASN39A does not match expected count
-126: ...Warning: Atom Count for residue GLU5A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
-126: Warning: Atom Count for residue GLU53A does not match expected count
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
-126: Warning: Atom Count for residue GLU150A does not match expected count
-126: Warning: Atom Count for residue ASN157A does not match expected count
-131: Randomness seeded to: 265970244
-131: ===============================================================================
-131: All tests passed (188 assertions in 16 test cases)
-131: 
-112/235 Test #131: fpTestCatch ............................   Passed    0.18 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ..[06:34:55] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Morgan Fingerprints.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Morgan Fingerprints using fromAtoms argument.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Morgan Fingerprints as bit vects.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Morgan Fingerprints with feature invariants.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [06:34:55] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+97: [06:34:55] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test additional Morgan fingerprints options.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Atom Codes.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Atom Pairs.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Atom Pairs part 2.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Topological Torsions.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Bulk Topological Torsions.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+36: [06:34:55] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+97: [06:34:55] reaction has no reactants
+97: [06:34:55] reaction has no products
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+97: [06:34:55] initialization failed
+97: [06:34:55] reaction has no reactants
+97: [06:34:55] reaction has no products
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: .[06:34:55] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+97: [06:34:55] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+97: [06:34:55] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [06:34:55] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+97: [06:34:55] reaction has no reactants
+97: [06:34:55] reaction has no products
+97: [06:34:55] initialization failed
+97: [06:34:55] reaction has no reactants
+97: [06:34:55] reaction has no products
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+97: .
+97: ----------------------------------------------------------------------
+97: Ran 54 tests in 0.160s
+97: 
+97: OK
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+97: ********************************************
+97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
+97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7f6574f13680>
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test atom-pair additional output
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Folded Atom Pairs.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Rooted Atom Pairs.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+129: [06:34:55]   done
+130: [06:34:55]     Test ignoring atoms in Atom Pairs.
+129: [06:34:55] -------------------------------------
+129: [06:34:55] Test MHFP hashing of string and uint arrays
+129: [06:34:55]   done
+129: [06:34:55] -------------------------------------
+129: [06:34:55] Test SECFP fingerprint functionality
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Atom Pairs including info about chirality.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Morgan Fingerprints.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test morgan fp generator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+112: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+112: [06:34:55] -------------------------------------
+112: [06:34:55]     Test Github #3806: NaNs from AUTOCORR2D descriptor
+112: [06:34:55]   done
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+ 90/235 Test #112: testAUTOCORR2D .........................   Passed    0.42 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 test 132
         Start 132: fpGenTestCatch
 
 132: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
 132: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 132: Test timeout computed to be: 1500
-127: ........
-127: ----------------------------------------------------------------------
-127: Ran 8 tests in 0.397s
-127: 
-127: OK
-126: Warning: Atom Count for residue GLU5A does not match expected count
-125: Warning: Atom Count for residue GLU53A does not match expected count
-132: Randomness seeded to: 1787259765
-132: ===============================================================================
-132: All tests passed (2737 assertions in 7 test cases)
-132: 
-113/235 Test #132: fpGenTestCatch .........................   Passed    0.36 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Morgan Fingerprints using fromAtoms argument.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Morgan Fingerprints as bit vects.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test Morgan Fingerprints with feature invariants.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test additional Morgan fingerprints options.
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Single atoms setting radius 1 bits in Morgan fingerprints  
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test different invariant generator combinations
+129: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 91/235 Test #129: testMHFPFingerprint ....................   Passed    0.08 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test invariant overriding
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test RDKit fp generator
 test 133
         Start 133: pyTestGenerator
 
 133: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
 133: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 133: Test timeout computed to be: 1500
-114/235 Test #127: pyMolDescriptors3D .....................   Passed    1.64 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+30: ...
+30: ----------------------------------------------------------------------
+30: Ran 12 tests in 0.557s
+30: 
+30: OK
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: Randomness seeded to: 1614208654
+131: ===============================================================================
+131: All tests passed (188 assertions in 16 test cases)
+131: 
+ 92/235 Test #131: fpTestCatch ............................   Passed    0.04 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 test 134
         Start 134: pyTestMHFP
 
 134: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
 134: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 134: Test timeout computed to be: 1500
-89: [21:51:57] Explicit valence for atom # 2 O, 4, is greater than permitted
-89: [21:51:57] Explicit valence for atom # 3 Al, 6, is greater than permitted
-89: [21:51:57] Explicit valence for atom # 3 Be, 4, is greater than permitted
-70: [21:51:57] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [21:51:57] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-89: [21:51:57] Explicit valence for atom # 27 P, 6, is greater than permitted
-117: =>start test morse custom
-117: [21:51:57] test on : 365 molecules done
-89: ===============================================================================
-89: All tests passed (21562 assertions in 3 test cases)
-89: 
-115/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    6.99 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     More PMI/NPR tests.
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     Basic NPR tests.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+ 93/235 Test  #99: pyChemReactionSanitize .................   Passed    0.52 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 test 135
         Start 135: testPartialCharges
 
 135: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
 135: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges
 135: Test timeout computed to be: 1500
-70: [21:51:57] Empty atom list: 'M  ALS   1  0 F' on line 8.
-116/235 Test  #70: fileParsersTest1 .......................   Passed    7.86 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+125: Warning: Atom Count for residue GLU5A does not match expected count
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  Cubane.mrv
+69: 
+69: Test
+69: 
+69:  FalseAtropisomer.mrv
+69: 
+69: Test
+69: 
+69:  AtropEnhancedStereo.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChirals.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced2.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced3.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d_chiral.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop5.mrv
+69: 
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: 300
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 94/235 Test  #97: pyChemReactions ........................   Passed    0.56 sec
 test 136
         Start 136: pyPartialCharges
 
 136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
 136: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
 136: Test timeout computed to be: 1500
-117/235 Test #135: testPartialCharges .....................   Passed    0.08 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+ 95/235 Test #135: testPartialCharges .....................   Passed    0.03 sec
 test 137
         Start 137: testMolTransforms
 
 137: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms
 137: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
 137: Test timeout computed to be: 1500
-125: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+92: Randomness seeded to: 700248642
+92: ===============================================================================
+92: All tests passed (11480 assertions in 38 test cases)
+92: 
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 96/235 Test  #92: testGenericGroups ......................   Passed    0.59 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 138
+        Start 138: molTransformsTestCatch
+
+138: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch
+138: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
+138: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  BMS-986142_atrop6.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop7.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop8.mrv
+69: 
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+68: .....
+68: ----------------------------------------------------------------------
+68: Ran 19 tests in 0.424s
+68: 
+68: OK
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  BMS-986142_atropBad2.mrv
+69: 
+69: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 137: ***********************************************************
 137: Testing MolTransforms
 137: 	---------------------------------
@@ -26228,1451 +24761,1879 @@
 137: 	 testWeightedCentroid 
 137: 
 137: ***********************************************************
-118/235 Test #137: testMolTransforms ......................   Passed    0.16 sec
-test 138
-        Start 138: molTransformsTestCatch
-
-138: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch
-138: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
-138: Test timeout computed to be: 1500
-138: Randomness seeded to: 3390114089
-138: ===============================================================================
-138: All tests passed (4 assertions in 1 test case)
-138: 
-119/235 Test #138: molTransformsTestCatch .................   Passed    0.09 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 97/235 Test #137: testMolTransforms ......................   Passed    0.06 sec
 test 139
         Start 139: pyMolTransforms
 
 139: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py"
 139: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap
 139: Test timeout computed to be: 1500
-126: Warning: Atom Count for residue GLU53A does not match expected count
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test unfolded version of RDKFP   
-130: [21:51:58] -------------------------------------
-130: [21:51:58] Test topological torsion fp generator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test Topological Torsions.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test Folded torsions.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test Bulk Topological Torsions.
-126: Warning: Atom Count for residue ARG64A does not match expected count
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test Rooted Topological Torsions.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test ignoring atoms in Topological Torsions.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test Topological Torsions including info about chirality.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test GitHub Issue 25: fingerprint backwards compatibility.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-125: Warning: Atom Count for residue LYS80A does not match expected count
-130: [21:51:58]   done
-130: [21:51:58] -------------------------------------
-130: [21:51:58]     Test convenience and bulk fp calculation functions
-133: ..............
-133: ----------------------------------------------------------------------
-133: Ran 14 tests in 0.396s
-133: 
-133: OK
-117: =>start test AUTOCORR3D custom
-117: [21:51:58] test on : 365 molecules done
-139: ........
-139: ----------------------------------------------------------------------
-139: Ran 8 tests in 0.054s
-139: 
-139: OK
-120/235 Test #139: pyMolTransforms ........................   Passed    0.46 sec
+138: Randomness seeded to: 4203172013
+138: ===============================================================================
+138: All tests passed (4 assertions in 1 test case)
+138: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 98/235 Test #138: molTransformsTestCatch .................   Passed    0.06 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 140
         Start 140: forceFieldHelpersCatch
 
 140: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch
 140: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers
 140: Test timeout computed to be: 1500
-121/235 Test #133: pyTestGenerator ........................   Passed    1.39 sec
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  JDQ443_3d.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atropBad1.mrv
+69: 
+69: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Hashed Atom Pairs.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Hashed torsions.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Rooted Atom Pairs.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test ignoring atoms in Atom Pairs.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Rooted Topological Torsions.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test ignoring atoms in Topological Torsions.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test atom info from morgan fingerprints.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test atom info from morgan fingerprints including Info Redundant Environments.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55] -------------------------------------
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] -------------------------------------
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 99/235 Test  #30: pyForceFieldConstraints ................   Passed    0.93 sec
+100/235 Test  #68: pyDepictor .............................   Passed    0.76 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 141
         Start 141: testMMFFForceFieldHelpers
 
 141: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
 141: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 141: Test timeout computed to be: 1500
-134: ..
-134: ----------------------------------------------------------------------
-134: Ran 2 tests in 0.166s
-134: 
-134: OK
-140: Randomness seeded to: 815666656
-140: ===============================================================================
-140: All tests passed (17 assertions in 2 test cases)
-140: 
-122/235 Test #140: forceFieldHelpersCatch .................   Passed    0.14 sec
 test 142
         Start 142: testMMFFForceFieldHelpersMultiThread
 
 142: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
 142: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 142: Test timeout computed to be: 1500
-126: Warning: Atom Count for residue LYS80A does not match expected count
-142: [21:51:58] -------------------------------------
-142: [21:51:58]     Test MMFF multithreading
-141: [21:51:58] -------------------------------------
-141: [21:51:58]     Test MMFF atom types.
-141: [21:51:58]   done
-141: [21:51:58] -------------------------------------
-141: [21:51:58]     Testing MMFF builder tools.
-141: [21:51:58]   done
-141: [21:51:58] -------------------------------------
-141: [21:51:58]     Testing MMFF builder+minimization.
-142: processing
-142:  launch :0
-142:  launch :1
-142:  launch :2
-142:  launch :3
-142:  launch :4
-142:  launch :5
-142:  launch :6
-142:  launch :7
-142:  launch :8
-142:  launch :9
-142:  launch :10
-142:  launch :11
-142:  launch :12
-142:  launch :13
-142:  launch :14
-142:  launch :15
-142:  launch :16
-142:  launch :17
-142:  launch :18
-142:  launch :19
-142:  launch :20
-142:  launch :21
-142:  launch :22
-142:  launch :23
-123/235 Test #134: pyTestMHFP .............................   Passed    1.60 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+110: .........
+110: ----------------------------------------------------------------------
+110: Ran 9 tests in 0.085s
+110: 
+110: OK
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+121: =>start test WHIM
+128: [06:34:55] -------------------------------------
+128: [06:34:55] -------------------------------------
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Atom Pairs including info about chirality.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test Topological Torsions including info about chirality.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+121: [06:34:55] test on : 365 molecules done
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test GitHub Issue 25: fingerprint backwards compatibility.
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test GitHub Issue 151: PatternFingerprint problems
+132: Randomness seeded to: 4175059171
+132: ===============================================================================
+132: All tests passed (2737 assertions in 7 test cases)
+132: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+101/235 Test #121: testWHIM ...............................   Passed    0.43 sec
+102/235 Test #132: fpGenTestCatch .........................   Passed    0.16 sec
 test 143
         Start 143: testUFFForceFieldHelpers
 
 143: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
 143: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
 143: Test timeout computed to be: 1500
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing Issue239.
-136: .......
-136: ----------------------------------------------------------------------
-136: Ran 7 tests in 0.322s
-136: 
-136: OK
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing calcEnergy with passed coords.
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Test UFF atom labels.
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Test UFF atom typer.
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing UFF builder tools.
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing UFF builder+minimization.
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing calcGrad.
-130: [21:51:59]   done
-130: [21:51:59] -------------------------------------
-130: [21:51:59]     Test GitHub Issue #6958
-130: [21:51:59] DEPRECATION WARNING: please use AtomPairGenerator
-124/235 Test #130: testFingerprintGenerators ..............   Passed    2.50 sec
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing Issue242.
 test 144
         Start 144: testCrystalForceField
 
 144: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
 144: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
 144: Test timeout computed to be: 1500
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Explicit valence for atom # 9 N, 6, is greater than permitted
+69: Test
+69: 
+69:  RP-6306_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop5.mrv
+69: 
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test 3D atom pairs.
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
+128: [06:34:55]   done
+128: [06:34:55] -------------------------------------
+128: [06:34:55]     Test multithreading with the pattern FP
+128: reading molecules
+69: Test
+69: 
+69:  RP-6306_atropBad1.mrv
+69: 
+69: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [06:34:55] -------------------------------------
+141: [06:34:55]     Test MMFF atom types.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  RP-6306_atropBad2.mrv
+69: 
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142: [06:34:55] -------------------------------------
+142: [06:34:55]     Test MMFF multithreading
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [06:34:55]   done
+141: [06:34:55] -------------------------------------
+141: [06:34:55]     Testing MMFF builder tools.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+140: Randomness seeded to: 3269482022
+140: ===============================================================================
+140: All tests passed (17 assertions in 2 test cases)
+140: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 144: -------------------------------------
 144:  Test CrystalFF torsional term.
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing github 308: crash during MMFF parameterization .
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing SFIssue1653802.
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Testing SFIssue2378119.
-141: [21:51:59]   done
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Test MMFF force-field parameter getters.
-141: [21:51:59] -------------------------------------
-141: [21:51:59]     Test MMFF multithreading
-117: =>start test 2 WHIM custom
-117: [21:51:59] test on : 365 molecules done
-125/235 Test #136: pyPartialCharges .......................   Passed    1.33 sec
+103/235 Test #140: forceFieldHelpersCatch .................   Passed    0.07 sec
+115: 400
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 145
         Start 145: pyForceFieldHelpers
 
 145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
 145: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
 145: Test timeout computed to be: 1500
-141: generating reference data
-12: ..................
-12: ----------------------------------------------------------------------
-12: Ran 18 tests in 9.262s
-12: 
-12: OK
-126/235 Test  #12: pyBV ...................................   Passed   10.98 sec
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+114: [06:34:55] -------------------------------------
+114: [06:34:55]     Test empty molecule BCUT.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+104/235 Test #114: testBCUT ...............................   Passed    0.61 sec
 test 146
         Start 146: testDistGeomHelpers
 
 146: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
 146: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 146: Test timeout computed to be: 1500
-142: done
-127/235 Test #144: testCrystalForceField ..................   Passed    0.33 sec
+105/235 Test #110: pyFragCatalog ..........................   Passed    0.64 sec
 test 147
         Start 147: distGeomHelpersCatch
 
 147: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
 147: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 147: Test timeout computed to be: 1500
-142: [21:51:59]   done
-146: [21:51:59] ********************************************************
-146: [21:51:59] Testing DistGeomHelpers
-146: [21:51:59] 	---------------------------------
-146: [21:51:59] 	 test2 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: pass 1
+128:  launch :0
+128:  launch :1
+128:  launch :2
+128:  launch :3
+141: [06:34:55]   done
+141: [06:34:55] -------------------------------------
+141: [06:34:55]     Testing MMFF builder+minimization.
+143: [06:34:55] -------------------------------------
+143: [06:34:55]     Test UFF atom labels.
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+143: [06:34:55]   done
+143: [06:34:55] -------------------------------------
+143: [06:34:55]     Test UFF atom typer.
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+143: [06:34:55]   done
+143: [06:34:55] -------------------------------------
+143: [06:34:55]     Testing UFF builder tools.
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+143: [06:34:55]   done
+143: [06:34:55] -------------------------------------
+143: [06:34:55]     Testing UFF builder+minimization.
+126: ..[06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:34:55] DEPRECATION WARNING: please use AtomPairGenerator
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: ..[06:34:55] 
+126: 
+126: ****
+126: Pre-condition Violation
+126: Number of atom props not equal to number of atoms
+126: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp
+126: Failed Expression: atom_props.size() == num_atoms
+126: ----------
+126: Stacktrace:
+126:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+126:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+126:  2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitDescriptors.so.1
+126:  3# 0x00007FF451DD842A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  4# 0x00007FF451DE8726 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  6# 0x00007FF455DDD62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+126:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+126: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+126: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+126: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+126: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 17# 0x00007FF4539B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 18# 0x00007FF4539B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 19# 0x00007FF4539B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 20# 0x00007FF4539B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 21# 0x00007FF4539B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126: 27# 0x00007FF455DDA3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126: 28# _PyObject_MakeTpCall in /usr/bin/python3
+126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 30# 0x00000000005BEE79 in /usr/bin/python3
+126: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 32# 0x0000000000547080 in /usr/bin/python3
+126: 33# 0x00000000006AB720 in /usr/bin/python3
+126: 34# _PyObject_MakeTpCall in /usr/bin/python3
+126: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 36# 0x00000000005BEE79 in /usr/bin/python3
+126: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 38# 0x0000000000547080 in /usr/bin/python3
+126: 39# 0x00000000006AB720 in /usr/bin/python3
+126: 40# _PyObject_MakeTpCall in /usr/bin/python3
+126: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 42# 0x00000000005BEE79 in /usr/bin/python3
+126: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 44# 0x0000000000547080 in /usr/bin/python3
+126: 45# 0x00000000006AB720 in /usr/bin/python3
+126: 46# _PyObject_MakeTpCall in /usr/bin/python3
+126: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 48# 0x000000000059582E in /usr/bin/python3
+126: 49# _PyObject_MakeTpCall in /usr/bin/python3
+126: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 51# PyEval_EvalCode in /usr/bin/python3
+126: 52# 0x000000000066A861 in /usr/bin/python3
+126: 53# 0x000000000066670C in /usr/bin/python3
+126: 54# 0x000000000067F713 in /usr/bin/python3
+126: 55# 0x000000000067ECE3 in /usr/bin/python3
+126: 56# 0x000000000067EB1E in /usr/bin/python3
+126: 57# Py_RunMain in /usr/bin/python3
+126: 58# Py_BytesMain in /usr/bin/python3
+126: 59# 0x00007FF4566A8CA8 in /lib/x86_64-linux-gnu/libc.so.6
+126: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+126: 61# _start in /usr/bin/python3
+126: ----------
+126: ****
+126: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  RP-6306_3d.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop5.mrv
+69: 
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:55] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  Sotorasib_atropBad1.mrv
+69: 
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: [06:34:55] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+146: [06:34:55] ********************************************************
+146: [06:34:55] Testing DistGeomHelpers
+146: [06:34:55] 	---------------------------------
+146: [06:34:55] 	 test2 
 146: 
 146: go
 146: -------------------------------------
 146: 
-147: Randomness seeded to: 2243287212
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing UFF special cases.
-143: [21:51:59] UFFTYPER: Unrecognized charge state for atom: 0
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing Issue239.
-128/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    0.83 sec
+69: Test
+69: 
+69:  Sotorasib_atropBad2.mrv
+69: 
+126: ...Warning: Atom Count for residue GLU5A does not match expected count
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     PMI edge cases.
+69: [06:34:55] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     NPR edge cases.
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     3D descriptors.
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     3D descriptor edge cases.
+120: [06:34:55]   done
+120: [06:34:55] -------------------------------------
+120: [06:34:55]     Inertial shape factor.
+120: [06:34:55]   done
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue ASN39A does not match expected count
+126: Warning: Atom Count for residue GLU53A does not match expected count
+106/235 Test #120: test3D .................................   Passed    0.58 sec
 test 148
         Start 148: pyDistGeomHelpers
 
 148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
 148: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
 148: Test timeout computed to be: 1500
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing calcEnergy with passed coords.
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing calcGrad.
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing SFIssue1653802.
-147: [21:51:59] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing SFIssue2378119.
-147: [21:51:59] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [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)] 
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Test UFF force-field parameter getters.
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing handling missing parameters.
-143: [21:51:59] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [21:51:59] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-147: [21:51:59] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [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)] 
-143: [21:51:59] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [21:51:59] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-147: [21:51:59] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [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)] 
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Testing SFIssue3009337.
-147: [21:51:59] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [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)] 
+126: Warning: Atom Count for residue ARG64A does not match expected count
+126: Warning: Atom Count for residue LYS80A does not match expected count
+147: Randomness seeded to: 816238431
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+117: =>start test rdf custom
+126: Warning: Atom Count for residue GLU150A does not match expected count
+117: [06:34:55] test on : 365 molecules done
+126: Warning: Atom Count for residue ASN157A does not match expected count
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [06:34:55] Explicit valence for atom # 3 Al, 6, is greater than permitted
+123: =>start test autocorr3D
+123: [06:34:55] test on : 365 molecules done
+107/235 Test #123: testAUTOCORR3D .........................   Passed    0.53 sec
+142: processing
+142:  launch :0
+142:  launch :1
+142:  launch :2
+142:  launch :3
+142:  launch :4
+142:  launch :5
+142:  launch :6
+142:  launch :7
+142:  launch :8
+142:  launch :9
+142:  launch :10
+142:  launch :11
+142:  launch :12
+142:  launch :13
+142:  launch :14
+142:  launch :15
+142:  launch :16
+142:  launch :17
+142:  launch :18
+142:  launch :19
+142:  launch :20
+142:  launch :21
+142:  launch :22
+142:  launch :23
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [06:34:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: Elapsed time: 0.73302 s
+115: Errors:0
+115: [06:34:55] test on : 500 molecules done
+141: [06:34:55]   done
+141: [06:34:55] -------------------------------------
+141: [06:34:55]     Testing Issue239.
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing calcEnergy with passed coords.
+134: ..
+134: ----------------------------------------------------------------------
+134: Ran 2 tests in 0.038s
+134: 
+134: OK
+125: Warning: Atom Count for residue ASN39A does not match expected count
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [$([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)] 
+147: [06:34:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [$(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)] 
+147: [06:34:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [$(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)] 
+147: [06:34:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [$(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)] 
+147: [06:34:55] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:55] [$(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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:55] [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)] 
+147: [06:34:56] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
 147: -----------
-143: [21:51:59]   done
-143: [21:51:59] -------------------------------------
-143: [21:51:59]     Test UFF multithreading
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$([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)] 
-117: =>start test 1 WHIM custom
-117: [21:51:59] test on : 365 molecules done
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
 147: -----------
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
 147: -----------
-143: generating reference data
 147: -----------
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [21:51:59] [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)] 
-129/235 Test  #43: resMolSupplierTest .....................   Passed   10.44 sec
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [06:34:56] [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)] 
+126: Warning: Atom Count for residue GLU5A does not match expected count
+127: ........
+127: ----------------------------------------------------------------------
+127: Ran 8 tests in 0.193s
+127: 
+127: OK
+89: [06:34:55] Explicit valence for atom # 4 Al, 6, is greater than permitted
+89: [06:34:56] Explicit valence for atom # 10 Si, 6, is greater than permitted
+130: [06:34:55]   done
+130: [06:34:55] -------------------------------------
+130: [06:34:55]     Test unfolded version of RDKFP   
+130: [06:34:55] -------------------------------------
+130: [06:34:55] Test topological torsion fp generator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:55] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:56] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test Topological Torsions.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test Folded torsions.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test Bulk Topological Torsions.
+118: =>start test rdf
+118: [06:34:56] test on : 365 molecules done
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing UFF special cases.
+143: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 0
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing Issue239.
 test 149
         Start 149: testMolAlign
 
 149: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
 149: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 149: Test timeout computed to be: 1500
-147: [21:52:00] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 1
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 1
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 1
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Issue252: Bad definitions for Crippen atom types.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of ChiVs.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of ChiNs.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of HallKierAlpha.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of Kappa1.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of Kappa2.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of Kappa3.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Crippen atom type calculations.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test ring descriptors
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test other count descriptors.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test MQN
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test GitHub Issue 56.
-111: [21:52:00] WARNING: not removing hydrogen atom without neighbors
-111: [21:52:00] WARNING: not removing hydrogen atom without neighbors
-111: [21:52:00] WARNING: not removing hydrogen atom without neighbors
-111: [21:52:00] WARNING: not removing hydrogen atom without neighbors
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github92: Bad Crippen atom type for pyrrole H.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github362: order dependence  in Kier-Hall descriptors.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test calculation of spiro and bridgehead counts.
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github694: ExactMolWt ignoring the mass of the electron
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Testing Properties and KitchenSink
-111: [21:52:00] ---Caught keyerror (bad property name)---
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test USR Descriptor
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github #1973: support P and S terms for TPSA calculation
-111: [21:52:00]   done
-111: [21:52:00] -------------------------------------
-111: [21:52:00]     Test Github #2948: Empty molecule has non-zero LabuteASA
-111: [21:52:00]   done
-130/235 Test #111: testDescriptors ........................   Passed    6.89 sec
+69: Test
+69: 
+69:  Sotorasib_3d.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+69: Test
+69: 
+69:  mrtx1719_3d.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+128: pass 2
+128:  launch :0
+128:  launch :1
+128:  launch :2
+128:  launch :3
+139: ........
+139: ----------------------------------------------------------------------
+139: Ran 8 tests in 0.034s
+139: 
+139: OK
+109: [06:34:56] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007FAC3E201DFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x000055A89C9B7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x000055A89C9B4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007FAC3D433CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x000055A89C9B4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+109: [06:34:56] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense no new line
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007FAC3E201DFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x000055A89C9B7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x000055A89C9B4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007FAC3D433CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x000055A89C9B4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+109: [06:34:56] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense with tab
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007FAC3E201DFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x000055A89C9B7183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x000055A89C9B4731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007FAC3D433CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x000055A89C9B4861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+70: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:56]  deprecated group abbreviation ignored on line 24
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [06:34:56] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x00007F82450C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x00007F82450D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x00007F82450D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x0000563A13E9DCB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x0000563A13F04492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x0000563A13E849B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x00007F8244633CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70: 14# 0x0000563A13E84B61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+108/235 Test #109: testFragCatalog ........................   Passed    0.89 sec
+109/235 Test #115: testEEM ................................   Passed    0.85 sec
+110/235 Test #118: testRDF ................................   Passed    0.80 sec
+111/235 Test #127: pyMolDescriptors3D .....................   Passed    0.59 sec
+112/235 Test #134: pyTestMHFP .............................   Passed    0.44 sec
+113/235 Test #144: testCrystalForceField ..................   Passed    0.28 sec
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing calcGrad.
 test 150
         Start 150: testO3AAlign
 
 150: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
 150: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 150: Test timeout computed to be: 1500
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 5
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 5
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 5
-149: ***********************************************************
-149: Testing MolAlign
-149: 	---------------------------------
-149: 	 test1MolAlign 
-149: 
-149: 	---------------------------------
-149: 	 test1GetBestRMS 
-149: 
-149: 	---------------------------------
-149: 	 test1MolWithQueryAlign 
-149: 
-149: 	---------------------------------
-149: 	 test2AtomMap 
-149: 
-149: 	---------------------------------
-149: 	 test3Weights 
-149: 
-149: 	---------------------------------
-149: 	 testIssue241 
-149: 
-149: ***********************************************************
-131/235 Test #149: testMolAlign ...........................   Passed    0.50 sec
 test 151
         Start 151: molAlignCatchTest
 
 151: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
 151: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 151: Test timeout computed to be: 1500
-125: Warning: Atom Count for residue GLU150A does not match expected count
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: ..[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 6
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 6
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: processing
-141:  launch :0
-141:  launch :1
-141:  launch :2
-141:  launch :3
-141: [21:52:00] Rep: 0 Mol:0
-141: [21:52:00] [21:52:00] Rep: 0 Mol:2
-141: Rep: 0 Mol:3
-141: [21:52:00] Rep: 0 Mol:1
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: ..[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:5
-147: [21:52:00] UFFTYPER: Unrecognized charge state for atom: 6
-141: [21:52:00] Rep: 0 Mol:4
-141: [21:52:00] Rep: 0 Mol:9
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue ASN157A does not match expected count
-148: ..[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:13
-148: .[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:17
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:6
-141: [21:52:00] Rep: 0 Mol:8
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-151: Randomness seeded to: 4009030469
-151: 125477724
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:10
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:12
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:16
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:21
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:7
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:20
-141: [21:52:00] Rep: 0 Mol:11
-141: [21:52:00] Rep: 0 Mol:25
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:24
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:15
-141: [21:52:00] Rep: 0 Mol:29
-141: [21:52:00] Rep: 0 Mol:28
-141: [21:52:00] Rep: 0 Mol:19
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-151: 139014304
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-141: [21:52:00] Rep: 0 Mol:23
-141: [21:52:00] Rep: 0 Mol:27
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] UFFTYPER: Unrecognized hybridization for atom: 0
-145: [21:52:00] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:31
-145: ...[21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:00] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:00] Rep: 0 Mol:14
-143: processing
-143:  launch :0
-143:  launch :1
-143:  launch :2
-143:  launch :3
-143: [21:52:01] Rep: 0 Mol:2
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:1
-143: [21:52:01] Rep: 0 Mol:0
-143: [21:52:01] Rep: 0 Mol:5
-143: [21:52:01] Rep: 0 Mol:3
-145: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:9
-143: [21:52:01] Rep: 0 Mol:4
-126: Warning: Atom Count for residue GLU150A does not match expected count
-143: [21:52:01] Rep: 0 Mol:13
-141: [21:52:01] Rep: 0 Mol:18
-143: [21:52:01] Rep: 0 Mol:6
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:10
-143: [21:52:01] Rep: 0 Mol:17
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:7
-143: [21:52:01] Rep: 0 Mol:8
-143: [21:52:01] Rep: 0 Mol:11
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:15
-143: [21:52:01] Rep: 0 Mol:12
-141: [21:52:01] Rep: 0 Mol:22
-143: [21:52:01] Rep: 0 Mol:14
-143: [21:52:01] Rep: 0 Mol:19
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:16
-143: [21:52:01] Rep: 0 Mol:23
-143: [21:52:01] Rep: 0 Mol:27
-143: [21:52:01] Rep: 0 Mol:21
-143: [21:52:01] Rep: 0 Mol:18
-143: [21:52:01] Rep: 0 Mol:20
-143: [21:52:01] Rep: 0 Mol:31
-143: [21:52:01] Rep: 0 Mol:22
-143: [21:52:01] Rep: 0 Mol:25
-145: ...
-145: ----------------------------------------------------------------------
-145: Ran 19 tests in 0.684s
-145: 
-145: OK
-141: [21:52:01] Rep: 0 Mol:26
-143: [21:52:01] Rep: 0 Mol:26
-143: [21:52:01] Rep: 0 Mol:24
-143: [21:52:01] Rep: 0 Mol:29
-143: [21:52:01] Rep: 0 Mol:28
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 0 Mol:30
-122: =>start test GETAWAY
-122: [21:52:01] test on : 365 molecules done
-132/235 Test #122: testGETAWAY ............................   Passed    6.33 sec
 test 152
         Start 152: pyMolAlign
 
 152: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
 152: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap
 152: Test timeout computed to be: 1500
-141: [21:52:01] Rep: 0 Mol:30
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:01] Rep: 20 Mol:1
-141: [21:52:01] Rep: 20 Mol:5
-141: [21:52:01] Rep: 20 Mol:9
-141: [21:52:01] Rep: 20 Mol:13
-141: [21:52:01] Rep: 20 Mol:17
-141: [21:52:01] Rep: 20 Mol:21
-141: [21:52:01] Rep: 20 Mol:25
-141: [21:52:01] Rep: 20 Mol:29
-29: All 191 tests passed
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-126: Warning: Atom Count for residue ASN157A does not match expected count
-141: [21:52:01] Rep: 20 Mol:0
-141: [21:52:01] Rep: 20 Mol:4
-141: [21:52:01] Rep: 20 Mol:8
-141: [21:52:01] Rep: 20 Mol:12
-141: [21:52:01] Rep: 20 Mol:16
-141: [21:52:01] Rep: 20 Mol:20
-141: [21:52:01] Rep: 20 Mol:24
-133/235 Test #145: pyForceFieldHelpers ....................   Passed    2.13 sec
 test 153
         Start 153: testFeatures
 
 153: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 153: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures
 153: Test timeout computed to be: 1500
-141: [21:52:01] Rep: 20 Mol:28
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-153: [21:52:01] -------------------------------------
-153: [21:52:01] AtomType parser testing.
-153: [21:52:01] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
-153: [21:52:01] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] FeatureDefinition parser testing.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Test pulling feat defs from a string.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] FeatureDef functionality testing.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] FeatureFactory testing.
-153: [21:52:01] 1
-153: [21:52:01] 2
-153: [21:52:01] 3
-153: [21:52:01] 4
-153: [21:52:01] 5
-153: [21:52:01] 6
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Feature Location testing.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Test building a FeatureFactory from a file
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing Issue 224.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing Issue 225.
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Test Issue346
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Test Issue347
-153: [21:52:01]   done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing Issue 348.
-153: [21:52:01] SMARTS Parse Error: syntax error while parsing: [C[C]
-153: [21:52:01] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing Nested AtomType definitions.
-153: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing Github Issue #252: crash when calling getPos() with no conformer.
-153: [21:52:01]      expect a precondition failure message below
-153: [21:52:01] 
-153: 
-153: ****
-153: Pre-condition Violation
-153: molecule has no conformers
-153: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
-153: Failed Expression: dp_mol->getNumConformers()
-153: ----------
-153: Stacktrace:
-153:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-153:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-153:  2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
-153:  3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
-153:  4# 0x000055EE7EC63E50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  5# 0x000055EE7EC58743 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  6# 0x00007FCCF4630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-153:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-153:  8# 0x000055EE7EC58841 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153: ----------
-153: ****
-153: 
-153: [21:52:01]    Done
-153: [21:52:01] -------------------------------------
-153: [21:52:01] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
-153: [21:52:01]   done
-134/235 Test #153: testFeatures ...........................   Passed    0.10 sec
 test 154
         Start 154: pyChemicalFeatures
 
 154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
 154: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
 154: Test timeout computed to be: 1500
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:01] Rep: 20 Mol:3
-141: [21:52:01] Rep: 20 Mol:7
-141: [21:52:01] Rep: 20 Mol:11
-141: [21:52:01] Rep: 20 Mol:15
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:01] Rep: 20 Mol:19
-141: [21:52:01] Rep: 20 Mol:23
-141: [21:52:01] Rep: 20 Mol:27
-141: [21:52:01] Rep: 20 Mol:31
-141: [21:52:01] Rep: 40 Mol:1
-141: [21:52:01] Rep: 40 Mol:5
-141: [21:52:01] Rep: 40 Mol:9
-141: [21:52:01] Rep: 40 Mol:13
-141: [21:52:01] Rep: 40 Mol:17
-141: [21:52:01] Rep: 40 Mol:21
-141: [21:52:01] Rep: 40 Mol:25
-141: [21:52:01] Rep: 40 Mol:29
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:01] Rep: 100 Mol:0
-143: [21:52:01] Rep: 100 Mol:4
-143: [21:52:01] Rep: 100 Mol:8
-143: [21:52:01] Rep: 100 Mol:12
-143: [21:52:01] Rep: 100 Mol:16
-143: [21:52:01] Rep: 100 Mol:20
-143: [21:52:01] Rep: 100 Mol:24
-143: [21:52:01] Rep: 100 Mol:28
-148: [21:52:01] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:02] Rep: 40 Mol:3
-141: [21:52:02] Rep: 40 Mol:0
-141: [21:52:02] Rep: 40 Mol:4
-141: [21:52:02] Rep: 40 Mol:7
-141: [21:52:02] Rep: 40 Mol:11
-141: [21:52:02] Rep: 40 Mol:15
-141: [21:52:02] Rep: 40 Mol:19
-141: [21:52:02] Rep: 40 Mol:23
-141: [21:52:02] Rep: 40 Mol:27
-141: [21:52:02] Rep: 40 Mol:31
-141: [21:52:02] Rep: 40 Mol:8
-141: [21:52:02] Rep: 40 Mol:12
-141: [21:52:02] Rep: 40 Mol:16
-141: [21:52:02] Rep: 40 Mol:20
-148: [21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:02] Rep: 40 Mol:24
-141: [21:52:02] Rep: 40 Mol:28
-154: ..[21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[21:52:02] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
-154: [21:52:02] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
-154: ...
-154: ----------------------------------------------------------------------
-154: Ran 9 tests in 0.172s
-154: 
-154: OK
-148: [21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-135/235 Test #154: pyChemicalFeatures .....................   Passed    0.73 sec
 test 155
         Start 155: testShapeHelpers
 
 155: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers
 155: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers
 155: Test timeout computed to be: 1500
-143: [21:52:02] Rep: 100 Mol:1
-143: [21:52:02] Rep: 100 Mol:5
-143: [21:52:02] Rep: 100 Mol:9
-143: [21:52:02] Rep: 100 Mol:13
-143: [21:52:02] Rep: 100 Mol:17
-143: [21:52:02] Rep: 100 Mol:21
-143: [21:52:02] Rep: 100 Mol:25
-143: [21:52:02] Rep: 100 Mol:29
-148: .[21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-155: ***********************************************************
-155: Testing ShapeHelpers
-155: 	---------------------------------
-155: 	 test1Encode 
-155: 
-155: 	---------------------------------
-155: 	 test2Compare 
-155: 
-155: 	---------------------------------
-155: 	 testGithub4364 
-155: 
-155: ***********************************************************
-141: [21:52:02] Rep: 20 Mol:2
-136/235 Test #155: testShapeHelpers .......................   Passed    0.14 sec
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing Issue242.
+125: Warning: Atom Count for residue GLU53A does not match expected count
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing calcEnergy with passed coords.
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing calcGrad.
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing SFIssue1653802.
+147: [06:34:56] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
+119: =>start test MORSE
+119: =>read file
+119: [06:34:56] test on : 365 molecules done
+114/235 Test #119: testMORSE ..............................   Passed    0.82 sec
+115/235 Test #139: pyMolTransforms ........................   Passed    0.37 sec
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing SFIssue2378119.
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 1
 test 156
         Start 156: pyShapeHelpers
 
 156: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
 156: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
 156: Test timeout computed to be: 1500
-141: [21:52:02] Rep: 60 Mol:3
-141: [21:52:02] Rep: 60 Mol:7
-141: [21:52:02] Rep: 60 Mol:11
-141: [21:52:02] Rep: 60 Mol:15
-141: [21:52:02] Rep: 60 Mol:19
-141: [21:52:02] Rep: 60 Mol:23
-141: [21:52:02] Rep: 20 Mol:6
-141: [21:52:02] Rep: 60 Mol:27
-141: [21:52:02] Rep: 60 Mol:31
-141: [21:52:02] Rep: 20 Mol:10
-141: [21:52:02] Rep: 20 Mol:14
-143: [21:52:02] Rep: 100 Mol:3
-143: [21:52:02] Rep: 100 Mol:7
-141: [21:52:02] Rep: 20 Mol:18
-141: [21:52:02] Rep: 20 Mol:22
-141: [21:52:02] Rep: 20 Mol:26
-143: [21:52:02] Rep: 100 Mol:11
-143: [21:52:02] Rep: 100 Mol:15
-143: [21:52:02] Rep: 100 Mol:19
-143: [21:52:02] Rep: 100 Mol:23
-143: [21:52:02] Rep: 100 Mol:27
-143: [21:52:02] Rep: 100 Mol:31
-141: [21:52:02] Rep: 20 Mol:30
-141: [21:52:02] Rep: 60 Mol:1
-141: [21:52:02] Rep: 60 Mol:5
-141: [21:52:02] Rep: 60 Mol:9
-141: [21:52:02] Rep: 60 Mol:13
-141: [21:52:02] Rep: 60 Mol:17
-141: [21:52:02] Rep: 60 Mol:21
-141: [21:52:02] Rep: 60 Mol:25
-141: [21:52:02] Rep: 60 Mol:29
-141: [21:52:02] Rep: 80 Mol:3
-141: [21:52:02] Rep: 80 Mol:7
-141: [21:52:02] Rep: 80 Mol:11
-141: [21:52:02] Rep: 80 Mol:15
-141: [21:52:02] Rep: 80 Mol:19
-141: [21:52:02] Rep: 80 Mol:23
-141: [21:52:02] Rep: 80 Mol:27
-141: [21:52:02] Rep: 80 Mol:31
-141: [21:52:02] Rep: 60 Mol:0
-141: [21:52:02] Rep: 60 Mol:4
-141: [21:52:02] Rep: 60 Mol:8
-141: [21:52:02] Rep: 60 Mol:12
-141: [21:52:02] Rep: 60 Mol:16
-141: [21:52:02] Rep: 60 Mol:20
-141: [21:52:02] Rep: 60 Mol:24
-141: [21:52:02] Rep: 60 Mol:28
-141: [21:52:02] Rep: 80 Mol:0
-141: [21:52:02] Rep: 80 Mol:4
-141: [21:52:02] Rep: 80 Mol:8
-141: [21:52:02] Rep: 80 Mol:12
-141: [21:52:02] Rep: 80 Mol:16
-141: [21:52:02] Rep: 80 Mol:20
-141: [21:52:02] Rep: 80 Mol:24
-141: [21:52:02] Rep: 80 Mol:28
-148: [21:52:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:02] Rep: 100 Mol:2
-143: [21:52:02] Rep: 100 Mol:6
-143: [21:52:02] Rep: 100 Mol:10
-143: [21:52:02] Rep: 100 Mol:14
-143: [21:52:02] Rep: 100 Mol:18
-143: [21:52:02] Rep: 100 Mol:22
-143: [21:52:02] Rep: 100 Mol:26
-143: [21:52:02] Rep: 100 Mol:30
-141: [21:52:02] Rep: 80 Mol:1
-141: [21:52:02] Rep: 80 Mol:5
-141: [21:52:02] Rep: 80 Mol:9
-141: [21:52:02] Rep: 80 Mol:13
-141: [21:52:03] Rep: 80 Mol:17
-141: [21:52:03] Rep: 80 Mol:21
-141: [21:52:03] Rep: 80 Mol:25
-141: [21:52:03] Rep: 80 Mol:29
-156: .
-156: ----------------------------------------------------------------------
-156: Ran 1 test in 0.192s
-156: 
-156: OK
-156: Testing Shape Helpers wrapper
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-137/235 Test #156: pyShapeHelpers .........................   Passed    0.72 sec
 test 157
         Start 157: testMolCatalog
 
 157: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
 157: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog
 157: Test timeout computed to be: 1500
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-141: [21:52:03] Rep: 40 Mol:2
-141: [21:52:03] Rep: 40 Mol:6
-141: [21:52:03] Rep: 40 Mol:10
-148: [21:52:03] Molecule does not have explicit Hs. Consider calling AddHs()
-138/235 Test #157: testMolCatalog .........................   Passed    0.10 sec
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Test UFF force-field parameter getters.
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing handling missing parameters.
+143: [06:34:56] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [06:34:56] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+143: [06:34:56] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [06:34:56] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Testing SFIssue3009337.
+143: [06:34:56]   done
+143: [06:34:56] -------------------------------------
+143: [06:34:56]     Test UFF multithreading
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 1
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 1
+133: ..............
+133: ----------------------------------------------------------------------
+133: Ran 14 tests in 0.149s
+133: 
+133: OK
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing github 308: crash during MMFF parameterization .
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing SFIssue1653802.
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Testing SFIssue2378119.
+141: [06:34:56]   done
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Test MMFF force-field parameter getters.
+141: [06:34:56] -------------------------------------
+141: [06:34:56]     Test MMFF multithreading
+153: [06:34:56] -------------------------------------
+153: [06:34:56] AtomType parser testing.
+153: [06:34:56] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
+153: [06:34:56] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] FeatureDefinition parser testing.
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Test pulling feat defs from a string.
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] FeatureDef functionality testing.
+69: Test
+69: 
+69:  FalseAtropisomer.mrv
+69: 
+69: Test
+69: 
+69:  AtropEnhancedStereo.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChirals.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced2.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced3.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d_chiral.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop5.mrv
+69: 
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ..[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+141: generating reference data
+69: Test
+69: 
+69:  BMS-986142_atrop6.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop7.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop8.mrv
+69: 
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+143: generating reference data
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] FeatureFactory testing.
+153: [06:34:56] 1
+153: [06:34:56] 2
+153: [06:34:56] 3
+153: [06:34:56] 4
+153: [06:34:56] 5
+153: [06:34:56] 6
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Feature Location testing.
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Test building a FeatureFactory from a file
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing Issue 224.
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing Issue 225.
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Test Issue346
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Test Issue347
+153: [06:34:56]   done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing Issue 348.
+153: [06:34:56] SMARTS Parse Error: syntax error while parsing: [C[C]
+153: [06:34:56] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing Nested AtomType definitions.
+153: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing Github Issue #252: crash when calling getPos() with no conformer.
+153: [06:34:56]      expect a precondition failure message below
+153: [06:34:56] 
+153: 
+153: ****
+153: Pre-condition Violation
+153: molecule has no conformers
+153: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
+153: Failed Expression: dp_mol->getNumConformers()
+153: ----------
+153: Stacktrace:
+153:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+153:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+153:  2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
+153:  3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
+153:  4# 0x000055B887242E50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  5# 0x000055B887237743 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  6# 0x00007FDE1EA33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+153:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+153:  8# 0x000055B887237841 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153: ----------
+153: ****
+153: 
+153: [06:34:56]    Done
+153: [06:34:56] -------------------------------------
+153: [06:34:56] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
+153: [06:34:56]   done
+69: Test
+69: 
+69:  BMS-986142_atropBad2.mrv
+69: 
+69: [06:34:56] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+116/235 Test #153: testFeatures ...........................   Passed    0.06 sec
 test 158
         Start 158: pyMolCatalog
 
 158: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
 158: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
 158: Test timeout computed to be: 1500
-141: [21:52:03] Rep: 40 Mol:14
-141: [21:52:03] Rep: 40 Mol:18
-141: [21:52:03] Rep: 40 Mol:22
-141: [21:52:03] Rep: 40 Mol:26
-141: [21:52:03] Rep: 40 Mol:30
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-147: [21:52:03] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-148: [21:52:03] Molecule does not have explicit Hs. Consider calling AddHs()
-151: 2787867206
-141: [21:52:03] Rep: 60 Mol:2
-141: [21:52:03] Rep: 60 Mol:6
-141: [21:52:03] Rep: 60 Mol:10
-141: [21:52:03] Rep: 60 Mol:14
-141: [21:52:03] Rep: 60 Mol:18
-141: [21:52:03] Rep: 60 Mol:22
-141: [21:52:03] Rep: 60 Mol:26
-141: [21:52:03] Rep: 60 Mol:30
-146: [21:51:59] 	---------------------------------
-146: [21:51:59] 	 test3 
-146: 
-146: [21:51:59] 	---------------------------------
-146: [21:51:59] 	 test4 
-146: 
-146: [21:51:59] 	---------------------------------
-146: [21:51:59] 	 test5 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 test6 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 test15Dists 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 test Issue 215 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testMultipleConfs 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testMultipleConfsExpTors 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue227 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue236 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testOrdering 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue244 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue251 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue276 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue284 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue285 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testIssue355 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 testRandomCoords 
-146: 
-146: [21:52:03] 	---------------------------------
-146: [21:52:03] 	 test sf.net issue 1989539 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 2091864 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test constrained embedding 
-146: 
-146: [21:52:04] ssd: 0.0752641
-146: [21:52:04] ssd: 0.0659363
-158: .
-158: ----------------------------------------------------------------------
-158: Ran 1 test in 0.042s
-158: 
-158: OK
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
-75: [21:52:04] Finished: testSmiCorrectness()
-75: [21:52:04] -----------------------------------------
-75: 
-75: [21:52:04] 
-75: -----------------------------------------
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test unfolded version of RDKFP   
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Test bitinfo of RDKFP   
-128:    562:  [ 2 ], 
-128:    709:  [ 0 1 ], 
-128:    1118:  [ 0 1 2 ], 
-128:    1183:  [ 1 2 ], 
-128:    1233:  [ 0 1 2 ], 
-128:    1308:  [ 0 ],  [ 1 ], 
-128:    1339:  [ 2 ], 
-128:    1728:  [ 1 2 ], 
-128:    1772:  [ 0 ],  [ 1 ], 
-128:    1813:  [ 0 1 ], 
-128:   ------------ 
-128: [21:52:04] -------------------------------------
-128: [21:52:04]     Single atoms setting radius 1 bits in Morgan fingerprints  
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #879: Pattern fingerprint should set bits for single-atom fragments.
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use AtomPairGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #2115: BitInfo not complete for RDKFingerprint
-128: [21:52:04]   done
-128: [21:52:04] -------------------------------------
-128: [21:52:04] Github #3723: Fingerprint crash for mols with Zero order bonds
-128: [21:52:04]   done
-139/235 Test #128: testFingerprints .......................   Passed    8.08 sec
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+142: done
+125: Warning: Atom Count for residue ARG64A does not match expected count
+117/235 Test #157: testMolCatalog .........................   Passed    0.05 sec
 test 159
         Start 159: moldraw2DTest1
 
 159: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1
 159: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 159: Test timeout computed to be: 1500
-148: [21:52:04] Molecule does not have explicit Hs. Consider calling AddHs()
-75: [21:52:04] Spurious data before the first property will be ignored
-75: [21:52:04] Property <ID> will be truncated after the first blank line
-75: [21:52:04] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-75: [21:52:04] Property <ID> will be truncated after the first blank line
-141: [21:52:04] Rep: 80 Mol:2
-141: [21:52:04] Rep: 80 Mol:6
-141: [21:52:04] Rep: 80 Mol:10
-141: [21:52:04] Rep: 80 Mol:14
-141: [21:52:04] Rep: 80 Mol:18
-141: [21:52:04] Rep: 80 Mol:22
-141: [21:52:04] Rep: 80 Mol:26
-141: [21:52:04] Rep: 80 Mol:30
-140/235 Test #158: pyMolCatalog ...........................   Passed    1.07 sec
+36: [06:34:56] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
+69: Test
+69: 
+69:  JDQ443_3d.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+142: [06:34:56]   done
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test Rooted Topological Torsions.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test ignoring atoms in Topological Torsions.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test Topological Torsions including info about chirality.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test GitHub Issue 25: fingerprint backwards compatibility.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test convenience and bulk fp calculation functions
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+155: ***********************************************************
+155: Testing ShapeHelpers
+155: 	---------------------------------
+155: 	 test1Encode 
+155: 
+155: 	---------------------------------
+155: 	 test2Compare 
+155: 
+155: 	---------------------------------
+155: 	 testGithub4364 
+155: 
+155: ***********************************************************
+70: [06:34:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+118/235 Test #155: testShapeHelpers .......................   Passed    0.09 sec
 test 160
         Start 160: moldraw2DTestCatch
 
 160: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 160: Test timeout computed to be: 1500
-159:  ----------------- Test 1
-143: [21:52:04]   done
-143: [21:52:04] -------------------------------------
-143: [21:52:04]     Test UFF multithreading2
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 2091974 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 2835784 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 3019283 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 3238580 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test sf.net issue 3483968 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test github issue 55 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test1 
-146: 
-146: [21:52:04] 	---------------------------------
-146: [21:52:04] 	 test multi-threading 
-146: 
-146: building molecules
-146: generating reference data
-160: Randomness seeded to: 3231123436
-160: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
-159: file test1_5.svg gave hash 2383324771U not the expected 2811480876U
-159:  Done
-159:  ----------------- Test 2
-159: file test2_1.png gave hash 3164573255U not the expected 638584804U
-159: file test2_2.png gave hash 3715219030U not the expected 610424244U
-160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
-160: file contourMol_2.svg gave hash 4241964660U not the expected 1815941817U
-159:  Done
-159:  ----------------- Test 4
-160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
-160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
-160: file contourMol_5.svg gave hash 3954963517U not the expected 3792684719U
-159: file test4_1.png gave hash 3656546255U not the expected 3993974247U
-159:  Done
-159:  ----------------- Test 5
-159: file test5_1.png gave hash 3659160374U not the expected 571291290U
-160: file testGithub3226_1.png gave hash 3357385997U not the expected 3165135374U
-160: file testGithub3226_2.png gave hash 1415443727U not the expected 643975155U
-159: file test5_2.png gave hash 3029052427U not the expected 97265124U
-160: file testGithub3226_3.png gave hash 2009594401U not the expected 3119571946U
-160: file testPNGMetadata_1.png gave hash 1215431680U not the expected 997629701U
-159: file test5_3.png gave hash 979411683U not the expected 606188176U
-159:  Done
-159:  ----------------- Test 6 (atom labels)
-159:  Done
-159:  ----------------- Test 7 (backgrounds)
-160: file testPNGMetadata_2.png gave hash 421119850U not the expected 1797853056U
-159: file test7_1.png gave hash 37955190U not the expected 1322246680U
-159: file test7_2.png gave hash 280222352U not the expected 1499012715U
-159:  Done
-159:  ----------------- Test8: PrepareMolDrawing
-159:  Done
-159:  ----------------- Test multi-threaded drawing
-159: reading molecules
-148: [21:52:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [21:52:04]   done
-141: [21:52:04] -------------------------------------
-141: [21:52:04]     Test MMFF multithreading2
-160: [21:52:04] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:04] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-159: generating reference drawings
-160: file testHandDrawn-1.svg gave hash 2072486955U not the expected 2253418236U
-160: [21:52:04] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:04] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-1.png gave hash 2810773836U not the expected 3894611804U
-151: 1203950399
-151: ===============================================================================
-151: All tests passed (73 assertions in 3 test cases)
-151: 
-141/235 Test #151: molAlignCatchTest ......................   Passed    4.52 sec
+70: [06:34:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+119/235 Test #133: pyTestGenerator ........................   Passed    0.57 sec
 test 161
         Start 161: moldraw2DRxnTest1
 
 161: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
 161: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 161: Test timeout computed to be: 1500
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161:  ----------------- Test 1
-159: processing
-159:  launch :0
-159:  launch :1
-159:  launch :2
-159:  launch :3
-160: file testHandDrawn-2.svg gave hash 1534109833U not the expected 794717511U
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161: file rxn_test1_1.png gave hash 196847225U not the expected 801892091U
-160: file testHandDrawn-2.png gave hash 3255836690U not the expected 1443443188U
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161: file rxn_test1_2.png gave hash 1760761969U not the expected 507435337U
-160: file testHandDrawn-3.png gave hash 1999104941U not the expected 865629432U
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161: file rxn_test1_3.png gave hash 3097655468U not the expected 1590809137U
-160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
-160: [21:52:05] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:05] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-4.png gave hash 1317783250U not the expected 3919767093U
-161: file rxn_test1_4.png gave hash 1178565194U not the expected 1766700542U
-161: file rxn_test1_5.png gave hash 2486693442U not the expected 2552100594U
-75: [21:52:05] Finished: testSDCorrectness()
-75: [21:52:05] -----------------------------------------
-75: 
-142/235 Test  #75: testMultithreadedMolSupplier ...........   Passed   15.20 sec
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 5
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 5
+151: Randomness seeded to: 3817447685
+151: 57765140
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] UFFTYPER: Unrecognized hybridization for atom: 0
+145: [06:34:56] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  RP-6306_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop5.mrv
+69: 
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ...[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  RP-6306_atropBad1.mrv
+69: 
+69: [06:34:56] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 5
+159:  ----------------- Test 1
+69: Test
+69: 
+69:  RP-6306_atropBad2.mrv
+69: 
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+120/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    0.46 sec
+108: .............[06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
 test 162
         Start 162: pyMolDraw2D
 
 162: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
 162: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
 162: Test timeout computed to be: 1500
-161: file rxn_test1_6.png gave hash 3683203876U not the expected 3791582903U
-143: [21:52:05]   done
-143: [21:52:05] -------------------------------------
-143: [21:52:05]     Test UFF multithreading3
-161: file rxn_test1_7.png gave hash 1361790131U not the expected 1461397406U
-161: file rxn_test1_7.svg gave hash 2324077060U not the expected 1831465890U
-161:  Done
-161:  ----------------- Test 2: some examples that caused problems in testing
-161: file rxn_test2_1.png gave hash 700636031U not the expected 3551633840U
-161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
-117: =>start test GETAWAY custom
-117: [21:52:05] test on : 365 molecules done
-161: file rxn_test2_2_1.png gave hash 766587530U not the expected 1268122583U
-143/235 Test #117: testRDFcustom ..........................   Passed   11.96 sec
+148: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+36: F/C=C/Cl
+36: [H]/C(F)=C(/[H])Cl
+36: F/C=C/Cl
+36: F/C=C/Cl
+36: C/C(F)=C(/C)Cl
+36: [06:34:56] -----------------------
+36:  Testing isRingFused 
+145: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+151: 46784145
+89: [06:34:56] Explicit valence for atom # 2 O, 4, is greater than permitted
+161:  ----------------- Test 1
+149: ***********************************************************
+149: Testing MolAlign
+149: 	---------------------------------
+149: 	 test1MolAlign 
+149: 
+149: 	---------------------------------
+149: 	 test1GetBestRMS 
+149: 
+149: 	---------------------------------
+149: 	 test1MolWithQueryAlign 
+149: 
+149: 	---------------------------------
+149: 	 test2AtomMap 
+149: 
+149: 	---------------------------------
+149: 	 test3Weights 
+149: 
+149: 	---------------------------------
+149: 	 testIssue241 
+149: 
+149: ***********************************************************
+121/235 Test  #36: graphmolMolOpsTest .....................   Passed    1.43 sec
+122/235 Test #149: testMolAlign ...........................   Passed    0.22 sec
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
 test 163
         Start 163: testFMCS
 
 163: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCS
 163: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS
 163: Test timeout computed to be: 1500
-161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
-161: file rxn_test2_2_2.png gave hash 1252117625U not the expected 82821108U
-161: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
-161: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
-161: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
-141: [21:52:06]   done
-141: [21:52:06] -------------------------------------
-141: [21:52:06]     Test MMFF multithreading3
-161: file rxn_test2_2_3.png gave hash 3797481496U not the expected 3828365604U
-161: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
-161: file rxn_test2_2_4.png gave hash 1813989566U not the expected 1230108677U
-161:  Done
-161:  ----------------- Test 3: test reactant highlighting
-161: file rxn_test3_1.png gave hash 887759826U not the expected 4189980366U
-161:  Done
-161:  ----------------- Test 4: some examples from SMARTS in testing
-161: draw!
-161: file rxn_test4_1.png gave hash 2871076982U not the expected 2745201873U
-161:  done
-143: [21:52:06]   done
-143: [21:52:06] -------------------------------------
-143: [21:52:06]     Testing GitHubIssue62.
-143: [21:52:06] beta-lactam 39.6387
-143: [21:52:06] cyclopropanone 174.698
-143: [21:52:06] aziridine 337.986
-143: [21:52:06] aziridinone 115.248
-143: [21:52:06] isobutene 2.48217
-143: [21:52:06] acetone 1.91788
-143: [21:52:06] cyclopentanone 10.1648
-143: [21:52:07] cyclopropene 99.4921
-143: [21:52:07] cyclobutene 41.0156
-143: [21:52:07] cyclopropane 267.236
-143: [21:52:07] gamma-lactam 15.7471
-143: [21:52:07] trans-2,3-diphenylcyclopropan-1-one 203.398
-161: file rxn_test4_2.png gave hash 424710428U not the expected 3094925886U
-143: [21:52:07] cis-2,3-diphenylcyclopropan-1-one 206.852
-161:  Done
-144/235 Test #161: moldraw2DRxnTest1 ......................   Passed    2.28 sec
-143: [21:52:07] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
 test 164
         Start 164: pyFMCS
 
 164: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/testFMCS.py"
 164: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap
 164: Test timeout computed to be: 1500
-143: [21:52:07] cyclopropylidencyclobutane 218.879
-162: ...[21:52:07] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
-162: [21:52:07] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-141: [21:52:07]   done
-141: [21:52:07] -------------------------------------
-141: [21:52:07]     Testing github 162: Incorrect SMILES after MMFF parameterization .
-141: [21:52:07]   done
-141: [21:52:07] -------------------------------------
-141: [21:52:07]     Testing github 224: crash during MMFF parameterization .
-141: [21:52:07]   done
-141: [21:52:07] -------------------------------------
-141: [21:52:07]     Testing github6728: crash due to missing stretch-bend params.
-145/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    8.57 sec
+89: [06:34:56] Explicit valence for atom # 3 Be, 4, is greater than permitted
+89: [06:34:56] Explicit valence for atom # 3 Al, 6, is greater than permitted
+136: .......
+136: ----------------------------------------------------------------------
+136: Ran 7 tests in 0.318s
+136: 
+136: OK
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+108: [06:34:56] SMILES Parse Error: syntax error while parsing: ---
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] ---
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [06:34:56] dasfsadf
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: ..[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+126: Warning: Atom Count for residue ASN39A does not match expected count
+160: Randomness seeded to: 529472454
+160: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
+70: ----------------------------------
+70: ----------------------------------
+70: [06:34:56] 
+70: 
+70: ****
+70: Pre-condition Violation
+70: rlabel out of range for MDL files
+70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
+70: Failed Expression: rlabel >= 0 && rlabel < 100
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+70:  3# 0x0000563A13EAB09F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x0000563A13F0450A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x0000563A13E849B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x00007F8244633CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70:  8# 0x0000563A13E84B61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+70: [06:34:56] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 6
+159: file test1_5.svg gave hash 2383324771U not the expected 2811480876U
+145: ...
+145: ----------------------------------------------------------------------
+145: Ran 19 tests in 0.182s
+145: 
+145: OK
+159:  Done
+159:  ----------------- Test 2
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 6
+69: Test
+69: 
+69:  RP-6306_3d.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop5.mrv
+69: 
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [06:34:56] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+89: [06:34:56] Explicit valence for atom # 27 P, 6, is greater than permitted
+69: Test
+69: 
+69:  Sotorasib_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+69: Test
+69: 
+69:  Sotorasib_atropBad2.mrv
+69: 
+69: [06:34:56] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+159: file test2_1.png gave hash 3164573255U not the expected 638584804U
+148: ..[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+147: [06:34:56] UFFTYPER: Unrecognized charge state for atom: 6
+161: file rxn_test1_1.png gave hash 196847225U not the expected 801892091U
+125: Warning: Atom Count for residue LYS80A does not match expected count
+148: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+159: file test2_2.png gave hash 3715219030U not the expected 610424244U
+61: Test
+61: 
+61:  AtropCanon1.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon2.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon3.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d_chiral.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d.cxsmi
+61: 
+61: ===============================================================================
+61: All tests passed (2445 assertions in 29 test cases)
+61: 
+123/235 Test  #61: cxsmilesTest ...........................   Passed    1.38 sec
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
 test 165
         Start 165: FMCStest
 
 165: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest
 165: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test
 165: Test timeout computed to be: 1500
-148: [21:52:07] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [21:52:07] diphenylmethylidencyclobutane 79.6139
-143: [21:52:07]   done
-143: [21:52:07] -------------------------------------
-143: [21:52:07]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
-143: [21:52:07]   done
-143: [21:52:07] -------------------------------------
-143: [21:52:07]     Test square planar complexes
-143: [21:52:07]   done
-143: [21:52:07] -------------------------------------
-143: [21:52:07]     Test octahedral complexes
-143: [21:52:07]   done
+160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
+69: Test
+69: 
+69:  Sotorasib_3d.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+124/235 Test #145: pyForceFieldHelpers ....................   Passed    0.54 sec
+test 166
+        Start 166: molHashCatchTest
+
+166: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
+166: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash
+166: Test timeout computed to be: 1500
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file contourMol_2.svg gave hash 4241964660U not the expected 1815941817U
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+125/235 Test #136: pyPartialCharges .......................   Passed    0.69 sec
+test 167
+        Start 167: pyMolHash
+
+167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/testMolHash.py"
+167: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap
+167: Test timeout computed to be: 1500
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+159:  Done
+159:  ----------------- Test 4
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -29372,6 +28333,65 @@
 165: 
 165: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt
 165: 
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
+160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
+160: file contourMol_5.svg gave hash 3954963517U not the expected 3792684719U
+161: file rxn_test1_2.png gave hash 1760761969U not the expected 507435337U
+161: file rxn_test1_3.png gave hash 3097655468U not the expected 1590809137U
+69: Test
+69: 
+69:  mrtx1719_3d.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atropBad1.mrv
+69: 
+69: [06:34:56] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
 165: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -29638,118 +28658,157 @@
 165: 
 165: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
 165: ERROR: RDKit could not load input file
-162: ..........[21:52:07] 
-162: 
-162: ****
-162: Pre-condition Violation
-162: molecule must not be None
-162: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-162: Failed Expression: m
-162: ----------
-162: Stacktrace:
-162:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-162:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-162:  2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
-162:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol* (*)(RDKit::ROMol const*, bool, bool, bool, bool, bool), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector7<RDKit::ROMol*, RDKit::ROMol const*, bool, bool, bool, bool, bool> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
-162:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162:  5# 0x00007F7ACBDB262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-162:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-162:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-162: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-162: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-162: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-162: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-162: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-162: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 16# 0x00007F7ACAFB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 17# 0x00007F7ACAFB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 18# 0x00007F7ACAFB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 19# 0x00007F7ACAFB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 20# 0x00007F7ACAFB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-162: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-162: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-162: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-162: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162: 26# 0x00007F7ACBDAF3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162: 27# _PyObject_MakeTpCall in /usr/bin/python3
-162: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 29# 0x00000000005BEE79 in /usr/bin/python3
-162: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 31# 0x0000000000547080 in /usr/bin/python3
-162: 32# 0x00000000006AB720 in /usr/bin/python3
-162: 33# _PyObject_MakeTpCall in /usr/bin/python3
-162: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 35# 0x00000000005BEE79 in /usr/bin/python3
-162: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 37# 0x0000000000547080 in /usr/bin/python3
-162: 38# 0x00000000006AB720 in /usr/bin/python3
-162: 39# _PyObject_MakeTpCall in /usr/bin/python3
-162: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 41# 0x00000000005BEE79 in /usr/bin/python3
-162: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 43# 0x0000000000547080 in /usr/bin/python3
-162: 44# 0x00000000006AB720 in /usr/bin/python3
-162: 45# _PyObject_MakeTpCall in /usr/bin/python3
-162: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 47# 0x000000000059582E in /usr/bin/python3
-162: 48# _PyObject_MakeTpCall in /usr/bin/python3
-162: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
-162: 50# PyEval_EvalCode in /usr/bin/python3
-162: 51# 0x000000000066A861 in /usr/bin/python3
-162: 52# 0x000000000066670C in /usr/bin/python3
-162: 53# 0x000000000067F713 in /usr/bin/python3
-162: 54# 0x000000000067ECE3 in /usr/bin/python3
-162: 55# 0x000000000067EB1E in /usr/bin/python3
-162: 56# Py_RunMain in /usr/bin/python3
-162: 57# Py_BytesMain in /usr/bin/python3
-162: 58# 0x00007F7ACDBD8CA8 in /lib/x86_64-linux-gnu/libc.so.6
-162: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-162: 60# _start in /usr/bin/python3
-162: ----------
-162: ****
-162: 
-146/235 Test #143: testUFFForceFieldHelpers ...............   Passed    8.50 sec
-147/235 Test #165: FMCStest ...............................   Passed    0.21 sec
-test 166
-        Start 166: molHashCatchTest
-
-166: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
-166: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash
-166: Test timeout computed to be: 1500
-test 167
-        Start 167: pyMolHash
-
-167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/testMolHash.py"
-167: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap
-167: Test timeout computed to be: 1500
-160: file testHandDrawn-5a.svg gave hash 3327818543U not the expected 1567781555U
-160: [21:52:07] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:07] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-5b.svg gave hash 2125846125U not the expected 66354106U
-160: [21:52:07] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [21:52:07] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-5.png gave hash 2537746017U not the expected 828378555U
-148: [21:52:07] Molecule does not have explicit Hs. Consider calling AddHs()
-166: Randomness seeded to: 3199767570
+159: file test4_1.png gave hash 3656546255U not the expected 3993974247U
+159:  Done
+159:  ----------------- Test 5
+159: file test5_1.png gave hash 3659160374U not the expected 571291290U
+159: file test5_2.png gave hash 3029052427U not the expected 97265124U
+159: file test5_3.png gave hash 979411683U not the expected 606188176U
+159:  Done
+159:  ----------------- Test 6 (atom labels)
+154: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+126: Warning: Atom Count for residue GLU53A does not match expected count
+108: .[06:34:56] SMILES Parse Error: syntax error while parsing: mydoghasfleas
+108: [06:34:56] SMILES Parse Error: check for mistakes around position 1:
+108: [06:34:56] mydoghasfleas
+108: [06:34:56] ^
+108: [06:34:56] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
+126/235 Test #165: FMCStest ...............................   Passed    0.11 sec
+166: Randomness seeded to: 3525773153
 166: ===============================================================================
 166: All tests passed (363 assertions in 14 test cases)
 166: 
-148/235 Test #166: molHashCatchTest .......................   Passed    0.28 sec
+127/235 Test #166: molHashCatchTest .......................   Passed    0.10 sec
+69: Test
+69: 
+69:  AlexRxn.mrv
+69: 
+69: Test
+69: 
+69:  BadReactionSign.mrv
+69: 
+69: Test
+69: 
+69:  bondArray_node.mrv
+69: 
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  marvin04.mrv
+69: 
+69: Test
+69: 
+69:  marvin08.mrv
+69: 
+69: Test
+69: 
+69:  marvin09.mrv
+69: 
+69: Test
+69: 
+69:  marvin11.mrv
+69: 
+69: Test
+69: 
+69:  marvin05.mrv
+69: 
+69: Test
+69: 
+69:  EmptyRxn.mrv
+69: 
+69: [06:34:56] initialization failed
 test 168
         Start 168: testMMPA
 
 168: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/testMMPA
 168: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA
 168: Test timeout computed to be: 1500
-160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
+test 169
+        Start 169: pyMMPA
+
+169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
+169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap
+169: Test timeout computed to be: 1500
+160: file testGithub3226_1.png gave hash 3357385997U not the expected 3165135374U
+143: processing
+143:  launch :0
+143:  launch :1
+143:  launch :2
+143: [06:34:56] Rep: 0 Mol:0
+143: [06:34:56] Rep:  launch :0 Mol:1
+143: [06:34:56] Rep: 0 Mol:5
+143: [06:34:56] Rep: 0 Mol:9
+143: [06:34:56] Rep: 0 Mol:2
+143: [06:34:56] Rep: 0 Mol:4
+143: 3
+159:  Done
+159:  ----------------- Test 7 (backgrounds)
+143: [06:34:56] Rep: 0 Mol:3
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+161: file rxn_test1_4.png gave hash 1178565194U not the expected 1766700542U
+126: Warning: Atom Count for residue ARG64A does not match expected count
+160: file testGithub3226_2.png gave hash 1415443727U not the expected 643975155U
+159: file test7_1.png gave hash 37955190U not the expected 1322246680U
+143: [06:34:56] Rep: 0 Mol:13
+143: [06:34:56] Rep: 0 Mol:8
+143: [06:34:56] Rep: 0 Mol:6
+143: [06:34:56] Rep: 0 Mol:12
+158: .
+158: ----------------------------------------------------------------------
+158: Ran 1 test in 0.025s
+158: 
+158: OK
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+154: ..[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [06:34:56] Rep: 0 Mol:16
+143: [06:34:56] Rep: 0 Mol:17
+159: file test7_2.png gave hash 280222352U not the expected 1499012715U
+159:  Done
+159:  ----------------- Test8: PrepareMolDrawing
+154: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+159:  Done
+159:  ----------------- Test multi-threaded drawing
+159: reading molecules
+143: [06:34:56] Rep: 0 Mol:10
+154: .[06:34:56] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
+154: [06:34:56] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
+143: [06:34:56] Rep: 0 Mol:20
+154: ...
+154: ----------------------------------------------------------------------
+154: Ran 9 tests in 0.119s
+154: 
+154: OK
+143: [06:34:56] Rep: 0 Mol:24
+161: file rxn_test1_5.png gave hash 2486693442U not the expected 2552100594U
+160: file testGithub3226_3.png gave hash 2009594401U not the expected 3119571946U
+143: [06:34:56] Rep: 0 Mol:28
+143: [06:34:56] Rep: 0 Mol:7
+143: [06:34:56] Rep: 0 Mol:11
+130: [06:34:56]   done
+130: [06:34:56] -------------------------------------
+130: [06:34:56]     Test GitHub Issue #6958
+130: [06:34:56] DEPRECATION WARNING: please use AtomPairGenerator
+143: [06:34:56] Rep: 0 Mol:15
+128/235 Test #130: testFingerprintGenerators ..............   Passed    0.98 sec
+test 170
+        Start 170: testRascalMCES
+
+170: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
+170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
+170: Test timeout computed to be: 1500
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+159: generating reference drawings
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.014676 seconds
+168: Time elapsed 0.009295 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
+143: [06:34:56] Rep: 0 Mol:21
+143: [06:34:56] Rep: 0 Mol:19
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
 168:  2: NOREF. Reference data NOT LISTED in test case.
 168:  3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
@@ -29762,12 +28821,24 @@
 168:  6: NOREF. Reference data NOT LISTED in test case.
 168:  7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.
+160: file testPNGMetadata_1.png gave hash 1215431680U not the expected 997629701U
+143: [06:34:56] Rep: 0 Mol:14
 168:  8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3]
 168:  8: NOREF. Reference data NOT LISTED in test case.
 168:  9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2]
 168:  9: NOREF. Reference data NOT LISTED in test case.
 168: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3]
 168: 10: NOREF. Reference data NOT LISTED in test case.
+129/235 Test #158: pyMolCatalog ...........................   Passed    0.40 sec
+test 171
+        Start 171: testRascalCluster
+
+171: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
+171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
+171: Test timeout computed to be: 1500
+143: [06:34:56] Rep: 0 Mol:23
+143: [06:34:56] Rep: 0 Mol:27
+143: [06:34:56] Rep: 0 Mol:31
 168: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2]
 168: 11: NOREF. Reference data NOT LISTED in test case.
 168: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1]
@@ -29782,30 +28853,38 @@
 168: 16: NOREF. Reference data NOT LISTED in test case.
 168: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
 168: 17: NOREF. Reference data NOT LISTED in test case.
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [06:34:56] Rep: 0 Mol:25
 168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
 168: 18: NOREF. Reference data NOT LISTED in test case.
-162: ......................
-162: ----------------------------------------------------------------------
-162: Ran 35 tests in 0.861s
-162: 
-162: OK
-162: json lasso
-160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
+143: [06:34:56] Rep: 0 Mol:18
+143: [06:34:56] Rep: 0 Mol:29
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 168:  -----------------------------------
-168: Time elapsed 0.013760 seconds
+168: Time elapsed 0.004340 seconds
 168: 
 168: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
 168:    1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 168:  1: PASSED. matchedRefRes = 4
+130/235 Test #154: pyChemicalFeatures .....................   Passed    0.48 sec
 168:    2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2]
 168:  2: PASSED. matchedRefRes = 1
+143: [06:34:56] Rep: 0 Mol:22
+test 172
+        Start 172: pyRascalMCES
+
+172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
+172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
+172: Test timeout computed to be: 1500
 168:    3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2]
 168:  3: PASSED. matchedRefRes = 6
 168:    4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2]
 168:  4: PASSED. matchedRefRes = 13
+143: [06:34:56] Rep: 0 Mol:26
+161: file rxn_test1_6.png gave hash 3683203876U not the expected 3791582903U
 168:    5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2]
 168:  5: PASSED. matchedRefRes = 12
 168:    6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
@@ -29816,18 +28895,58 @@
 168:  8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168:    9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168:  9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
 168:    10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168: 10: PASSED. matchedRefRes = 3
+108: .......
+108: ----------------------------------------------------------------------
+108: Ran 21 tests in 1.067s
+108: 
+108: OK
+108: (Five aromatic carbons And (Not any of Five aromatic carbons))
+108: (Five aromatic carbons Or (Not any of Five aromatic carbons))
+108: (Not (Five aromatic carbons And (Not any of Five aromatic carbons)))
+108: ********************************************
+108: Testing: PAINS_A 2
+108: ********************************************
+108: Testing: PAINS_B 4
+108: ********************************************
+108: Testing: PAINS_C 8
+108: ********************************************
+108: Testing: PAINS 14
+108: (Not FilterMatcher)
+108: Bar
+108: Count 1
+108: ********************************************
+108: {'Cl,Br,I'}
+108: 1
+108: 2
+108: running
 168:    11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
+160: file testPNGMetadata_2.png gave hash 421119850U not the expected 1797853056U
 168:    12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
 168: 12: PASSED. matchedRefRes = 8
 168:    13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 13: PASSED. matchedRefRes = 9
 168:    14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
 168: 14: PASSED. matchedRefRes = 11
+143: [06:34:56] Rep: 0 Mol:30
 168:    15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168: 15: PASSED. matchedRefRes = 2
+141: processing
+141:  launch :0
+141:  launch :1
+141:  launch :2
+141:  launch :3
+141: [06:34:56] Rep: 0 Mol:3
+141: [06:34:56] Rep: 0 Mol:0
+141: [06:34:56] Rep: 0[06:34:56] Rep: 0 Mol:1
+141:  Mol:2
+141: [06:34:56] Rep: 0 Mol:5
+141: [06:34:56] Rep: 0 Mol:9
+141: [06:34:56] Rep: 0 Mol:4
+141: [06:34:56] Rep: 0 Mol:13
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
@@ -29837,7 +28956,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
-168: Time elapsed 0.014379 seconds
+168: Time elapsed 0.008558 seconds
 168:  1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 168:  1: PASSED. matchedRefRes = 4
 168:  2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
@@ -29846,35 +28965,50 @@
 168:  3: PASSED. matchedRefRes = 6
 168:  4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2]
 168:  4: PASSED. matchedRefRes = 13
+117: =>start test morse custom
+117: [06:34:56] test on : 365 molecules done
+167: ....
+167: ----------------------------------------------------------------------
+167: Ran 4 tests in 0.013s
+167: 
+167: OK
+141: [06:34:56] Rep: 0 Mol:8
 168:  5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2]
 168:  5: PASSED. matchedRefRes = 12
 168:  6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
 168:  6: PASSED. matchedRefRes = 10
 168:  7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.
-149/235 Test #162: pyMolDraw2D ............................   Passed    2.64 sec
-test 169
-        Start 169: pyMMPA
-
-169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
-169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap
-169: Test timeout computed to be: 1500
 168:  8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168:  8: NOREF. Reference data NOT LISTED in test case.
 168:  9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168:  9: NOREF. Reference data NOT LISTED in test case.
 168: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168: 10: PASSED. matchedRefRes = 3
+159: processing
+159:  launch :0
+141: [06:34:56] Rep: 0 Mol:7
 168: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 11: NOREF. Reference data NOT LISTED in test case.
+159:  launch :1
+159:  launch :2
+141: [06:34:56] Rep: 0 Mol:12
+141: [06:34:56] Rep: 0 Mol:11
+159:  launch :3
 168: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
 168: 12: PASSED. matchedRefRes = 8
+141: [06:34:56] Rep: 0 Mol:17
 168: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 13: PASSED. matchedRefRes = 9
+141: [06:34:56] Rep: 0 Mol:15
 168: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
 168: 14: PASSED. matchedRefRes = 11
+141: [06:34:56] Rep: 0 Mol:16
+141: [06:34:56] Rep: 0 Mol:6
 168: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168: 15: PASSED. matchedRefRes = 2
+141: [06:34:56] Rep: 0 Mol:19
+161: file rxn_test1_7.png gave hash 1361790131U not the expected 1461397406U
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
@@ -29884,7 +29018,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
-168: Time elapsed 0.001630 seconds
+168: Time elapsed 0.001183 seconds
 168:  1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
 168:  1: PASSED. matchedRefRes = 2
 168:  2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
@@ -29897,9 +29031,14 @@
 168:  5: PASSED. matchedRefRes = 5
 168:  6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1]
 168:  6: NOREF. Reference data NOT LISTED in test case.
+141: [06:34:56] Rep: 0 Mol:23
 168:  7: res= NULL,CC(N1CC1)[*:1].O=C[*:1]
 168:  7: PASSED. matchedRefRes = 7
-160: [21:52:08] unrecognized bond typefile testGithub4238_1.png gave hash 1999044295U not the expected 2623427676U
+141: [06:34:56] Rep: 0 Mol:27
+141: [06:34:56] Rep: 0 Mol:10
+161: file rxn_test1_7.svg gave hash 2324077060U not the expected 1831465890U
+161:  Done
+161:  ----------------- Test 2: some examples that caused problems in testing
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3]
@@ -29907,11 +29046,13 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.007082 seconds
+168: Time elapsed 0.004923 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
+141: [06:34:56] Rep: 0 Mol:31
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
 168:  2: NOREF. Reference data NOT LISTED in test case.
+141: [06:34:56] Rep: 0 Mol:20
 168:  3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
 168:  3: NOREF. Reference data NOT LISTED in test case.
 168:  4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2]
@@ -29932,6 +29073,13 @@
 168: 11: NOREF. Reference data NOT LISTED in test case.
 168: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1]
 168: 12: NOREF. Reference data NOT LISTED in test case.
+156: .
+156: ----------------------------------------------------------------------
+156: Ran 1 test in 0.063s
+156: 
+156: OK
+156: Testing Shape Helpers wrapper
+126: Warning: Atom Count for residue LYS80A does not match expected count
 168: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2]
 168: 13: NOREF. Reference data NOT LISTED in test case.
 168: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2]
@@ -29940,30 +29088,142 @@
 168: 15: NOREF. Reference data NOT LISTED in test case.
 168: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1]
 168: 16: NOREF. Reference data NOT LISTED in test case.
-160: file testGithub4323_1.png gave hash 1674734291U not the expected 3075787867U
+141: [06:34:56] Rep: 0 Mol:24
+131/235 Test #167: pyMolHash ..............................   Passed    0.31 sec
+test 173
+        Start 173: testSynthonSpaceSubstructureSearch
+
+173: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
+173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
+173: Test timeout computed to be: 1500
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
 168: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
 168: 17: NOREF. Reference data NOT LISTED in test case.
 168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
 168: 18: NOREF. Reference data NOT LISTED in test case.
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+141: [06:34:56] Rep: 0 Mol:28
+162: ...[06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
+162: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 168:  -----------------------------------
 168: 
 168: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
-168: Time elapsed 0.008059 seconds
+168: Time elapsed 0.005703 seconds
 168:  1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
 168:  2: NOREF. Reference data NOT LISTED in test case.
+141: [06:34:56] Rep: 0 Mol:21
 168:  3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1
 168:  3: NOREF. Reference data NOT LISTED in test case.
 168:  4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1
 168:  4: NOREF. Reference data NOT LISTED in test case.
+69: Test
+69: 
+69:  RxnNoCoords.mrv
+69: 
+69: Test
+69: 
+69:  mrvValenceZero.mrv
+69: 
+69: Test
+69: 
+69:  condition_coordinates_mpoint.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  aspirineSynthesisWithAttributes.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  Vendor839
+69: 
+69: Test
+69: 
+69:  DoubleBondChain
+69: 
+69: Test
+69: 
+69:  Na_Mg_Al_OH
+69: 
+69: Test
+69: 
+69:  Pb
+69: 
+69: Test
+69: 
+69:  O_Mg_Si
+69: 
+69: Test
+69: 
+69:  SquiggleBond
+69: 
+69: Test
+69: 
+69:  BigMacrocycle
+69: 
+69: Test
+69: 
+69:  Smiles1
+69: 
 168:  5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1
 168:  5: NOREF. Reference data NOT LISTED in test case.
 168:  6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1
 168:  6: NOREF. Reference data NOT LISTED in test case.
+132/235 Test #108: pyFilterCatalog ........................   Passed    1.52 sec
+160: file testHandDrawn-1.svg gave hash 2072486955U not the expected 2253418236U
+test 174
+        Start 174: testCIPLabeler
+
+174: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
+174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler
+174: Test timeout computed to be: 1500
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 168:  7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1
 168:  7: NOREF. Reference data NOT LISTED in test case.
 168:  8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1
@@ -29978,6 +29238,14 @@
 168: 12: NOREF. Reference data NOT LISTED in test case.
 168: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2]
 168: 13: NOREF. Reference data NOT LISTED in test case.
+161: file rxn_test2_1.png gave hash 700636031U not the expected 3551633840U
+133/235 Test  #69: testMrvToMol ...........................   Passed    1.69 sec
+test 175
+        Start 175: pyCIPLabelsWrapTest
+
+175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
+175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
+175: Test timeout computed to be: 1500
 168: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1
 168: 14: PASSED. matchedRefRes = 1
 168: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1
@@ -29992,596 +29260,232 @@
 168:  --- ALL PASSED --- 
 168:  -----------------------------------
 168: 5 TEST CASES FAILED 
-150/235 Test #168: testMMPA ...............................   Passed    0.35 sec
-test 170
-        Start 170: testRascalMCES
-
-170: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
-170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
-170: Test timeout computed to be: 1500
-148: [21:52:08] Molecule does not have explicit Hs. Consider calling AddHs()
-167: ....
-167: ----------------------------------------------------------------------
-167: Ran 4 tests in 0.056s
-167: 
-167: OK
-151/235 Test #167: pyMolHash ..............................   Passed    1.04 sec
-test 171
-        Start 171: testRascalCluster
-
-171: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
-171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
-171: Test timeout computed to be: 1500
-150: ***********************************************************
-150: Testing O3AAlign
-150: 	---------------------------------
-150: 	 testMMFFO3A 
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A 
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A multithreading
-150: 
-150: generating reference data
-163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-163: Time elapsed 0.001 seconds
-163: 
-163:  test32()
-163: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
-163: Time elapsed 0.099 seconds
-163: 
-163:  test190()
-163: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
-163: Time elapsed 0.013 seconds
-163: 
-163:  test3()
-163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
-163: Time elapsed 0.021 seconds
-163: 
-163: testSimpleFast()
-163: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
-163: Time elapsed 0.179 seconds
-163: 
-163: testSimple()
-163: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.178 seconds
-163: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.203 seconds
-163: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.220 seconds
-163: 
-163: testSegFault()
-163: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.014 seconds
-163: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.019 seconds
-163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.020 seconds
-163: 
-163: testThreshold()
-163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testRing1()
-163: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.542 seconds
-163: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.517 seconds
-163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
-163: Time elapsed 0.584 seconds
-163: 
-163: testAtomCompareIsotopes()
-163: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testAtomCompareAnyAtom()
-163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testAtomCompareAnyAtom()
-163: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testAtomCompareAnyAtom()
-163: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testAtomCompareAnyAtom()
-163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
-163: Time elapsed 0.000 seconds
-163: 
-163: testJnk1LigandsDistance()
-163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
-163: Time elapsed 0.014 seconds
-163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
-148: [21:52:08] Molecule does not have explicit Hs. Consider calling AddHs()
-163: Time elapsed 0.002 seconds
-163: 
-163: test18()
-163: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1
-163: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds
-163: Time elapsed 0.010 seconds
-163: 
-163: test504()
-163: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1
-163: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds
-163: Time elapsed 0.146 seconds
-163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-163: Time elapsed 0.002 seconds
-163: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds
-163: Time elapsed 0.046 seconds
-163: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
-163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0069 seconds. bond[0]=6
-163: STATISTICS:
-163: Total Growing Steps  = 1, MCS found on 1 step, for 0.0069 seconds
-163: Initial   Seeds      = 1,  Mismatched 0
-163: Inspected Seeds      = 2
-163: Rejected by BestSize = 0
-163: IndividualBondExcluded   = 0
-163: MatchCheck Seeds     = 2
-163:      MatchCalls = 2
-163:      MatchFound = 1
-163:  fastMatchCalls = 1
-163:  fastMatchFound = 0
-163:  slowMatchCalls = 2
-163:  slowMatchFound = 1
-163:   DupCacheFound = 0   0 matched, 0 mismatched
-163: HashCache size  = 1 keys
-163: HashCache size  = 1 entries
-163: FindHashInCache = 2
-163: HashFoundInCache= 0
-163: ExactMatchCalls = 0
-163: ExactMatchFound = 0
-163: Time elapsed 0.007 seconds
-163: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
-163: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
-163: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
-163: res sub = 1 size=3
-163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = C(F)C useChirality = 1
-163: res sub = 1 size=3
-163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
-163: test target = CC[C@H](F)Cl query = CCC useChirality = 0
-163: res sub = 1 size=3
-163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = CC[C@H](F)Cl query = CCC useChirality = 1
-163: res sub = 1 size=3
-163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = CCC(F)Cl query = CC useChirality = 0
-163: res sub = 1 size=2
-163: MCS: [#6]-[#6] 2 atoms, 1 bonds
-163: test target = CCC(F)Cl query = CC useChirality = 1
-163: res sub = 1 size=2
-163: MCS: [#6]-[#6] 2 atoms, 1 bonds
-163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1
-163: res sub = 1 size=4
-163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1
-163: res sub = 1 size=4
-163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0
-163: res sub = 0 size=0
-163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1
-163: res sub = 0 size=0
-163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1
-163: res sub = 0 size=0
-163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = OC(F)CCl query = OC(F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = OC(F)CCl query = OC(F)C useChirality = 1
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1
-163: res sub = 0 size=0
-163: MCS: [#9] 1 atoms, 0 bonds
-163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
-163: res sub = 1 size=4
-163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
-163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
-163: res sub = 0 size=0
-163: MCS: [#9] 1 atoms, 0 bonds
-163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0
-163: res sub = 1 size=3
-163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1
-163: res sub = 1 size=3
-163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0
-163: res sub = 1 size=3
-163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1
-163: res sub = 1 size=3
-163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
-163: 
-163: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>>
-163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0
-163: res sub = 1 size=3
-163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1
-163: res sub = 1 size=3
-163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: 	done
-148: [21:52:09] Molecule does not have explicit Hs. Consider calling AddHs()
-160: file testGithub4323_3.png gave hash 4270327094U not the expected 381907253U
-160: [21:52:09] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
-148: [21:52:09] Molecule does not have explicit Hs. Consider calling AddHs()
-146: validating reference data
-81: ===============================================================================
-81: All tests passed (1601 assertions in 100 test cases)
-81: 
-152/235 Test  #81: fileParsersCatchTest ...................   Passed   19.73 sec
-test 172
-        Start 172: pyRascalMCES
-
-172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
-172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
-172: Test timeout computed to be: 1500
-160: file testFlexiCanvas.2a.png gave hash 2907977766U not the expected 2609920321U
-160: file testFlexiCanvas.2b.png gave hash 1585391483U not the expected 3615599154U
-160: file testFlexiCanvas.3.svg gave hash 236661785U not the expected 3544316588U
-126: Warning: Atom Count for residue GLU5A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
-126: Warning: Atom Count for residue GLU53A does not match expected count
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
-126: Warning: Atom Count for residue GLU150A does not match expected count
-126: Warning: Atom Count for residue ASN157A does not match expected count
-126: .[21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: .[21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: ..[21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ...[21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-125: Warning: Atom Count for residue GLU5A does not match expected count
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-126: [21:52:11] DEPRECATION WARNING: please use MorganGenerator
-125: Warning: Atom Count for residue ASN39A does not match expected count
-125: Warning: Atom Count for residue GLU53A does not match expected count
-125: Warning: Atom Count for residue ARG64A does not match expected count
-125: Warning: Atom Count for residue LYS80A does not match expected count
-126: ....[21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
-126: ....[21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: [21:52:11] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: .[21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [21:52:11] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-125: Warning: Atom Count for residue GLU150A does not match expected count
-125: Warning: Atom Count for residue ASN157A does not match expected count
-160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
-126: ...
-126: ----------------------------------------------------------------------
-126: Ran 31 tests in 14.254s
-126: 
-126: OK
-126: exactmw 78.046950192
-126: amw 78.11399999999999
-126: lipinskiHBA 0.0
-126: lipinskiHBD 0.0
-126: NumRotatableBonds 0.0
-126: NumHBD 0.0
-126: NumHBA 0.0
-126: NumHeavyAtoms 6.0
-126: NumAtoms 12.0
-126: NumHeteroatoms 0.0
-126: NumAmideBonds 0.0
-126: FractionCSP3 0.0
-126: NumRings 1.0
-126: NumAromaticRings 1.0
-126: NumAliphaticRings 0.0
-126: NumSaturatedRings 0.0
-126: NumHeterocycles 0.0
-126: NumAromaticHeterocycles 0.0
-126: NumSaturatedHeterocycles 0.0
-126: NumAliphaticHeterocycles 0.0
-126: NumSpiroAtoms 0.0
-126: NumBridgeheadAtoms 0.0
-126: NumAtomStereoCenters 0.0
-126: NumUnspecifiedAtomStereoCenters 0.0
-126: labuteASA 37.43140311949697
-126: tpsa 0.0
-126: CrippenClogP 1.6866
-126: CrippenMR 26.441999999999993
-126: chi0v 3.464101615137755
-126: chi1v 2.0000000000000004
-126: chi2v 0.6666666666666671
-126: chi3v 0.6666666666666671
-126: chi4v 0.38490017945975075
-126: chi0n 3.464101615137755
-126: chi1n 2.0000000000000004
-126: chi2n 0.6666666666666671
-126: chi3n 0.6666666666666671
-126: chi4n 0.38490017945975075
-126: hallKierAlpha -0.78
-126: kappa1 3.4115708812260532
-126: kappa2 1.6057694396735218
-126: kappa3 0.5823992601400448
-126: Phi 0.9130327103921437
-126: CustomNumAtoms 6.0
-126: exactmw 78.046950192
-126: lipinskiHBA 0.0
-160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
-160: file testGithub4764.sz1.png gave hash 1417438968U not the expected 2179222277U
-160: file testGithub4764.sz2.png gave hash 2455997703U not the expected 444262090U
-153/235 Test #126: pyMolDescriptors .......................   Passed   15.68 sec
-test 173
-        Start 173: testSynthonSpaceSubstructureSearch
-
-173: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
-173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
-173: Test timeout computed to be: 1500
-125: ===============================================================================
-125: All tests passed (515 assertions in 10 test cases)
-125: 
-169: .........
-169: ----------------------------------------------------------------------
-169: Ran 9 tests in 2.708s
-169: 
-169: OK
-154/235 Test #125: descriptorsTestCatch ...................   Passed   15.76 sec
-test 174
-        Start 174: testCIPLabeler
-
-174: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
-174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler
-174: Test timeout computed to be: 1500
-160: file testGithub4764.sz3.png gave hash 182513311U not the expected 3567162200U
-172: ..........[21:52:11] Too many matching bond pairs (1032) so can't continue.
-155/235 Test #169: pyMMPA .................................   Passed    3.46 sec
-test 175
-        Start 175: pyCIPLabelsWrapTest
-
-175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
-175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
-175: Test timeout computed to be: 1500
-174: Randomness seeded to: 4194004252
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-174: [21:52:11] non kekulizable aromatic bond being treated as bond order 1
-160: file github5383_1.svg gave hash 4241964660U not the expected 1815941817U
-160: file github5383_2.svg gave hash 2560846108U not the expected 0U
-160: file github5383_1.png gave hash 53778753U not the expected 2893520928U
-160: file acs1996_1.png gave hash 1997633690U not the expected 2329725800U
-148: .[21:52:11] Molecule does not have explicit Hs. Consider calling AddHs()
-160: file acs1996_2.png gave hash 3378065352U not the expected 2996350718U
-160: file acs1996_3.svg gave hash 3058522544U not the expected 879041204U
-160: [21:52:11] 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.
-163: [21:52:12] The provided InitialSeed is not an MCS and will be ignored
-160: file bond_highlights_8.svg gave hash 3610726614U not the expected 3119784980U
-160: file test_github6112.svg gave hash 3865338574U not the expected 3278777629U
-175: ....
-175: ----------------------------------------------------------------------
-175: Ran 4 tests in 0.046s
-175: 
-175: OK
-174: [21:52:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-174: [21:52:12] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-156/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    0.83 sec
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+134/235 Test #168: testMMPA ...............................   Passed    0.25 sec
+141: [06:34:56] Rep: 0 Mol:25
 test 176
         Start 176: pyCIPLabelsValidation
 
 176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
 176: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
 176: Test timeout computed to be: 1500
-174: ===============================================================================
-174: All tests passed (6577 assertions in 19 test cases)
-174: 
-173: Randomness seeded to: 4093318485
-173: [21:52:12] Writing the enumerated file may take quite some time and result in a large file.
-157/235 Test #174: testCIPLabeler .........................   Passed    0.99 sec
+160: file testHandDrawn-1.png gave hash 2810773836U not the expected 3894611804U
+135/235 Test #156: pyShapeHelpers .........................   Passed    0.61 sec
 test 177
         Start 177: deprotectTest
 
 177: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
 177: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect
 177: Test timeout computed to be: 1500
-160: file AtropManyChiralsEnhanced.svg gave hash 3443464321U not the expected 2256768013U
-177: Randomness seeded to: 3129798512
+141: [06:34:56] Rep: 0 Mol:29
+161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
+141: [06:34:56] Rep: 0 Mol:14
+161: file rxn_test2_2_1.png gave hash 766587530U not the expected 1268122583U
+162: ..........[06:34:56] 
+162: 
+162: ****
+141: [06:34:56] Rep: 0 Mol:18
+162: Pre-condition Violation
+162: molecule must not be None
+162: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
+162: Failed Expression: m
+162: ----------
+162: Stacktrace:
+162:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+162:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+162:  2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
+162:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol* (*)(RDKit::ROMol const*, bool, bool, bool, bool, bool), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector7<RDKit::ROMol*, RDKit::ROMol const*, bool, bool, bool, bool, bool> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
+162:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162:  5# 0x00007F6E41E9162C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+162:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+162:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+162: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+162: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+162: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+162: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+162: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+162: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 16# 0x00007F6E405B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 17# 0x00007F6E405B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 18# 0x00007F6E405B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 19# 0x00007F6E405B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 20# 0x00007F6E405B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+162: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+162: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+162: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+162: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162: 26# 0x00007F6E41E8E3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162: 27# _PyObject_MakeTpCall in /usr/bin/python3
+162: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 29# 0x00000000005BEE79 in /usr/bin/python3
+162: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 31# 0x0000000000547080 in /usr/bin/python3
+162: 32# 0x00000000006AB720 in /usr/bin/python3
+162: 33# _PyObject_MakeTpCall in /usr/bin/python3
+162: 34# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 35# 0x00000000005BEE79 in /usr/bin/python3
+162: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 37# 0x0000000000547080 in /usr/bin/python3
+162: 38# 0x00000000006AB720 in /usr/bin/python3
+162: 39# _PyObject_MakeTpCall in /usr/bin/python3
+162: 40# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 41# 0x00000000005BEE79 in /usr/bin/python3
+162: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 43# 0x0000000000547080 in /usr/bin/python3
+162: 44# 0x00000000006AB720 in /usr/bin/python3
+162: 45# _PyObject_MakeTpCall in /usr/bin/python3
+162: 46# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 47# 0x000000000059582E in /usr/bin/python3
+162: 48# _PyObject_MakeTpCall in /usr/bin/python3
+162: 49# _PyEval_EvalFrameDefault in /usr/bin/python3
+162: 50# PyEval_EvalCode in /usr/bin/python3
+162: 51# 0x000000000066A861 in /usr/bin/python3
+162: 52# 0x000000000066670C in /usr/bin/python3
+162: 53# 0x000000000067F713 in /usr/bin/python3
+162: 54# 0x000000000067ECE3 in /usr/bin/python3
+162: 55# 0x000000000067EB1E in /usr/bin/python3
+162: 56# Py_RunMain in /usr/bin/python3
+162: 57# Py_BytesMain in /usr/bin/python3
+162: 58# 0x00007F6E430B7CA8 in /lib/x86_64-linux-gnu/libc.so.6
+162: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+162: 60# _start in /usr/bin/python3
+162: ----------
+162: ****
+162: 
+161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+174: Randomness seeded to: 21943762
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+174: [06:34:56] non kekulizable aromatic bond being treated as bond order 1
+141: [06:34:56] Rep: 0 Mol:22
+161: file rxn_test2_2_2.png gave hash 1252117625U not the expected 82821108U
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+161: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
+161: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
+161: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [06:34:56] Rep: 0 Mol:26
+89: [06:34:56] Explicit valence for atom # 9 N, 6, is greater than permitted
+160: file testHandDrawn-2.svg gave hash 1534109833U not the expected 794717511U
+161: file rxn_test2_2_3.png gave hash 3797481496U not the expected 3828365604U
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+161: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
+141: [06:34:56] Rep: 0 Mol:30
+70: [06:34:56] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [06:34:56] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-2.png gave hash 3255836690U not the expected 1443443188U
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+161: file rxn_test2_2_4.png gave hash 1813989566U not the expected 1230108677U
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-3.png gave hash 1999104941U not the expected 865629432U
+161:  Done
+161:  ----------------- Test 3: test reactant highlighting
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
+160: [06:34:56] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:56] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+177: Randomness seeded to: 836248349
 177: ===============================================================================
 177: All tests passed (111 assertions in 3 test cases)
 177: 
-158/235 Test #177: deprotectTest ..........................   Passed    0.29 sec
+136/235 Test #177: deprotectTest ..........................   Passed    0.17 sec
 test 178
         Start 178: pyDeprotect
 
 178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rough_test.py"
 178: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap
 178: Test timeout computed to be: 1500
-160: file testGithub_7739_1.svg gave hash 3358510977U not the expected 2615562225U
-160: file testGithub_7739_3.svg gave hash 176211825U not the expected 1037942338U
-160: file testGithub_7739_4.svg gave hash 3309264286U not the expected 3549083171U
-160: [21:52:13] 
-160: 
-160: ****
-160: Pre-condition Violation
-160: 
-160: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-160: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size()
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000559223C1DDA5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000559223CFF8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000559223D003E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000559223D00860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000559223CD2403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000559223CD276C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000559223C165DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007FFAAFE30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x0000559223C16621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-160: [21:52:13] 
-160: 
-160: ****
-160: Range Error
-160: idx
-160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
-160: Failed Expression: 2 < 0
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000559223C1D512 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000559223CFF8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000559223D003E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000559223D00860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000559223CD2403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000559223CD276C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000559223C165DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007FFAAFE30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x0000559223C16621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-160: [21:52:13] 
-160: 
-160: ****
-160: Range Error
-160: idx
-160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
-160: Failed Expression: 0 < 0
-160: ----------
-160: Stacktrace:
-160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x0000559223C1DE78 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x0000559223CFF8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x0000559223D003E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x0000559223D00860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x0000559223CD2403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x0000559223CD276C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x0000559223C165DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007FFAAFE30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x0000559223C16621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: ----------
-160: ****
-160: 
-160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
-150: processing
-150:  launch :0
-150:  launch :1
-150:  launch :2
-150:  launch :3
-160: ===============================================================================
-160: All tests passed (6853 assertions in 115 test cases)
-160: 
-159/235 Test #160: moldraw2DTestCatch .....................   Passed    9.10 sec
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-4.png gave hash 1317783250U not the expected 3919767093U
+141: [06:34:56] Rep: 20 Mol:3
+141: [06:34:56] Rep: 20 Mol:7
+141: [06:34:56] Rep: 20 Mol:11
+141: [06:34:56] Rep: 20 Mol:15
+141: [06:34:56] Rep: 20 Mol:19
+141: [06:34:56] Rep: 20 Mol:23
+141: [06:34:56] Rep: 20 Mol:27
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [06:34:56] Rep: 20 Mol:31
+161: file rxn_test3_1.png gave hash 887759826U not the expected 4189980366U
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+70: [06:34:56] Empty atom list: 'M  ALS   1  0 F' on line 8.
+161:  Done
+161:  ----------------- Test 4: some examples from SMARTS in testing
+161: draw!
+70: de_DE.UTF-8
+70: [06:34:56] -------------------------------------
+70: [06:34:56]     Test multithreading Locale Switching
+148: [06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [06:34:56] Rep: 20 Mol:0
+141: [06:34:56] Rep: 20 Mol:4
+141: [06:34:56] Rep: 20 Mol:8
+141: [06:34:56] Rep: 20 Mol:12
+141: [06:34:56] Rep: 20 Mol:16
+162: ......................
+162: ----------------------------------------------------------------------
+162: Ran 35 tests in 0.329s
+162: 
+162: OK
+162: json lasso
+148: .[06:34:56] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [06:34:56] Rep: 20 Mol:20
+141: [06:34:56] Rep: 20 Mol:24
+141: [06:34:56] Rep: 20 Mol:28
+117: =>start test AUTOCORR3D custom
+117: [06:34:57] test on : 365 molecules done
+89: [06:34:57] Explicit valence for atom # 3 Al, 6, is greater than permitted
+175: ....
+175: ----------------------------------------------------------------------
+175: Ran 4 tests in 0.026s
+175: 
+175: OK
+70: [06:34:57]     Test multithreading (Done)
+70: [06:34:57] -------------------------------------
+161: file rxn_test4_1.png gave hash 2871076982U not the expected 2745201873U
+161:  done
+137/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    0.38 sec
 test 179
         Start 179: testReducedGraphs
 
 179: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs
 179: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs
 179: Test timeout computed to be: 1500
+141: [06:34:57] Rep: 20 Mol:1
+141: [06:34:57] Rep: 20 Mol:5
+141: [06:34:57] Rep: 20 Mol:9
+70: ***************************************
+70: ***************************************
+141: [06:34:57] Rep: 20 Mol:13
+141: [06:34:57] Rep: 20 Mol:17
+141: [06:34:57] Rep: 20 Mol:21
+141: [06:34:57] Rep: 20 Mol:25
+125: Warning: Atom Count for residue GLU150A does not match expected count
+70: [06:34:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [06:34:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [06:34:57] Rep: 20 Mol:29
 179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       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,       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,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+174: [06:34:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+174: [06:34:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 179: 
+70: [06:34:57] bond with order 0 found on line 7. This is not part of the MDL specification.
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 179: 
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@@ -30590,24 +29494,99 @@
 179: 
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 179: 
+89: [06:34:57] Explicit valence for atom # 4 Al, 6, is greater than permitted
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 179: 
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-179: 
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-179: 
-160/235 Test #179: testReducedGraphs ......................   Passed    0.13 sec
+138/235 Test #162: pyMolDraw2D ............................   Passed    0.86 sec
 test 180
         Start 180: pyReducedGraphs
 
 180: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
 180: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
 180: Test timeout computed to be: 1500
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     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,     0.3,       1,     0.3,     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,     0.3,       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, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+70: [06:34:57] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [06:34:57] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [06:34:57] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+161: file rxn_test4_2.png gave hash 424710428U not the expected 3094925886U
+139/235 Test #179: testReducedGraphs ......................   Passed    0.06 sec
+test 181
+        Start 181: trajectoryTest
+
+181: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
+181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory
+181: Test timeout computed to be: 1500
+161:  Done
+70: generating smiles
+125: Warning: Atom Count for residue ASN157A does not match expected count
+140/235 Test #161: moldraw2DRxnTest1 ......................   Passed    0.95 sec
+70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+70: converting back
+test 182
+        Start 182: substructLibraryTest
+
+182: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
+182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
+182: Test timeout computed to be: 1500
+89: [06:34:57] Explicit valence for atom # 10 Si, 6, is greater than permitted
+70: check isomorphism
+174: ===============================================================================
+174: All tests passed (6577 assertions in 19 test cases)
+174: 
+141/235 Test #174: testCIPLabeler .........................   Passed    0.49 sec
+test 183
+        Start 183: substructLibraryCatchTest
+
+183: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
+183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
+183: Test timeout computed to be: 1500
+141: [06:34:57] Rep: 40 Mol:3
+141: [06:34:57] Rep: 40 Mol:7
+141: [06:34:57] Rep: 40 Mol:11
+141: [06:34:57] Rep: 40 Mol:15
+141: [06:34:57] Rep: 40 Mol:19
+141: [06:34:57] Rep: 40 Mol:23
+141: [06:34:57] Rep: 40 Mol:27
+141: [06:34:57] Rep: 40 Mol:31
+182: [06:34:57] -------------------------------------
+182: [06:34:57]     Test1
+141: [06:34:57] Rep: 20 Mol:2
+141: [06:34:57] Rep: 20 Mol:6
+141: [06:34:57] Rep: 20 Mol:10
+141: [06:34:57] Rep: 20 Mol:14
+141: [06:34:57] Rep: 20 Mol:18
+141: [06:34:57] Rep: 20 Mol:22
+141: [06:34:57] Rep: 20 Mol:26
+141: [06:34:57] Rep: 20 Mol:30
+126: Warning: Atom Count for residue GLU150A does not match expected count
+148: [06:34:57] Molecule does not have explicit Hs. Consider calling AddHs()
+117: =>start test 2 WHIM custom
+117: [06:34:57] test on : 365 molecules done
+143: [06:34:57] Rep: 100 Mol:0
+143: [06:34:57] Rep: 100 Mol:4
+143: [06:34:57] Rep: 100 Mol:8
+143: [06:34:57] Rep: 100 Mol:12
+143: [06:34:57] Rep: 100 Mol:16
+143: [06:34:57] Rep: 100 Mol:3
+143: [06:34:57] Rep: 100 Mol:7
+143: [06:34:57] Rep: 100 Mol:11
+143: [06:34:57] Rep: 100 Mol:15
+143: [06:34:57] Rep: 100 Mol:19
+143: [06:34:57] Rep: 100 Mol:23
+143: [06:34:57] Rep: 100 Mol:27
+143: [06:34:57] Rep: 100 Mol:31
+143: [06:34:57] Rep: 100 Mol:20
+143: [06:34:57] Rep: 100 Mol:24
+143: [06:34:57] Rep: 100 Mol:28
+126: Warning: Atom Count for residue ASN157A does not match expected count
 178: .....
 178: ----------------------------------------------------------------------
-178: Ran 5 tests in 0.240s
+178: Ran 5 tests in 0.098s
 178: 
 178: OK
 178: Testing tert-butyldimethylsilyl
@@ -30660,346 +29639,358 @@
 178: Testing acetamide
 178: Testing carbobenzyloxy
 178: Testing Acetal/Ketal
+141: [06:34:57] Rep: 40 Mol:0
+141: [06:34:57] Rep: 40 Mol:4
+141: [06:34:57] Rep: 40 Mol:8
+141: [06:34:57] Rep: 40 Mol:12
+141: [06:34:57] Rep: 40 Mol:16
+141: [06:34:57] Rep: 40 Mol:20
+141: [06:34:57] Rep: 40 Mol:24
+141: [06:34:57] Rep: 60 Mol:3
+141: [06:34:57] Rep: 40 Mol:28
+141: [06:34:57] Rep: 60 Mol:7
+141: [06:34:57] Rep: 60 Mol:11
+141: [06:34:57] Rep: 60 Mol:15
+141: [06:34:57] Rep: 60 Mol:19
+141: [06:34:57] Rep: 60 Mol:23
+141: [06:34:57] Rep: 60 Mol:27
+141: [06:34:57] Rep: 60 Mol:31
+172: ..........[06:34:57] Too many matching bond pairs (1032) so can't continue.
+142/235 Test #178: pyDeprotect ............................   Passed    0.52 sec
+89: [06:34:57] Explicit valence for atom # 2 O, 4, is greater than permitted
+89: [06:34:57] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [06:34:57] Explicit valence for atom # 3 Be, 4, is greater than permitted
+89: [06:34:57] Explicit valence for atom # 27 P, 6, is greater than permitted
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 6
 180: .....
 180: ----------------------------------------------------------------------
-180: Ran 5 tests in 0.022s
+180: Ran 5 tests in 0.017s
 180: 
 180: OK
-161/235 Test #178: pyDeprotect ............................   Passed    1.21 sec
-test 181
-        Start 181: trajectoryTest
-
-181: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
-181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory
-181: Test timeout computed to be: 1500
-162/235 Test #180: pyReducedGraphs ........................   Passed    0.50 sec
-test 182
-        Start 182: substructLibraryTest
-
-182: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
-182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
-182: Test timeout computed to be: 1500
-182: [21:52:14] -------------------------------------
-182: [21:52:14]     Test1
-182: [21:52:14]   done
-182: [21:52:14] -------------------------------------
-182: [21:52:14]     Test2
-172: ....
-172: ----------------------------------------------------------------------
-172: Ran 14 tests in 3.994s
-172: 
-172: OK
-182: [21:52:15]   done
-163/235 Test #172: pyRascalMCES ...........................   Passed    4.96 sec
-test 183
-        Start 183: substructLibraryCatchTest
-
-183: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
-183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
-183: Test timeout computed to be: 1500
-182: [21:52:15] -------------------------------------
-182: [21:52:15]     Test3 (stereo options)
-164/235 Test #181: trajectoryTest .........................   Passed    1.46 sec
+143: [06:34:57] Rep: 100 Mol:1
+143: [06:34:57] Rep: 100 Mol:5
+143: [06:34:57] Rep: 100 Mol:9
+143: [06:34:57] Rep: 100 Mol:13
+143: [06:34:57] Rep: 100 Mol:17
+143: [06:34:57] Rep: 100 Mol:21
+143: [06:34:57] Rep: 100 Mol:25
+143: [06:34:57] Rep: 100 Mol:29
+146: [06:34:55] 	---------------------------------
+146: [06:34:55] 	 test3 
+146: 
+146: [06:34:55] 	---------------------------------
+146: [06:34:55] 	 test4 
+146: 
+146: [06:34:55] 	---------------------------------
+146: [06:34:55] 	 test5 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test6 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test15Dists 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test Issue 215 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testMultipleConfs 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testMultipleConfsExpTors 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue227 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue236 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testOrdering 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue244 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue251 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue276 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue284 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue285 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testIssue355 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 testRandomCoords 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 1989539 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 2091864 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test constrained embedding 
+146: 
+146: [06:34:57] ssd: 0.0752641
+146: [06:34:57] ssd: 0.0659363
+141: [06:34:57] Rep: 40 Mol:1
+141: [06:34:57] Rep: 40 Mol:5
+141: [06:34:57] Rep: 40 Mol:9
+141: [06:34:57] Rep: 40 Mol:13
+141: [06:34:57] Rep: 40 Mol:17
+141: [06:34:57] Rep: 40 Mol:21
+141: [06:34:57] Rep: 40 Mol:25
+141: [06:34:57] Rep: 40 Mol:29
+148: [06:34:57] Molecule does not have explicit Hs. Consider calling AddHs()
 test 184
         Start 184: pySubstructLibrary
 
 184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
 184: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
 184: Test timeout computed to be: 1500
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-182: [21:52:15]     Done (stereo options)
-182: [21:52:15] -------------------------------------
-182: [21:52:15]     Test4 (trusted smiles)
-29: All 191 tests passed
-182: [21:52:15]     Done (trusted smiles)
-182: [21:52:15] -------------------------------------
-182: [21:52:15]     Testing C++ docs
-182: [21:52:15]     Done (C++ doc tests)
-182: [21:52:15] -------------------------------------
-182: [21:52:15]     Testing C++ ring query: PatternHolder
-182: [21:52:15]     Done (C++ ring query tests)
-182: [21:52:15] -------------------------------------
-182: [21:52:15]     Testing C++ ring query: TautomerPatternHolder
-182: [21:52:15]     Done (C++ ring query tests)
-182: [21:52:15] -------------------------------------
-182: [21:52:15]    Add Patterns 
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
-146: processing
-146:  launch :0
-146:  launch :1
-146:  launch :2
-146:  launch :3
-183: Randomness seeded to: 3674693121
-183: ===============================================================================
-183: All tests passed (171 assertions in 5 test cases)
-183: 
-165/235 Test #183: substructLibraryCatchTest ..............   Passed    1.86 sec
+143/235 Test #180: pyReducedGraphs ........................   Passed    0.44 sec
 test 185
         Start 185: testRGroupDecomp
 
 185: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
 185: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
 185: Test timeout computed to be: 1500
-95: 0,0 0
-95: 0,1 0
-95: 1,0 0
-95: 1,1 0
-95: 2,0 0
-95: 2,1 0
-166/235 Test  #95: testEnumeration ........................   Passed   26.58 sec
+182: [06:34:57]   done
+89: ===============================================================================
+89: All tests passed (21562 assertions in 3 test cases)
+89: 
+144/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    2.52 sec
 test 186
         Start 186: testRGroupDecompInternals
 
 186: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
 186: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
 186: Test timeout computed to be: 1500
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-167/235 Test #186: testRGroupDecompInternals ..............   Passed    0.10 sec
+182: [06:34:57] -------------------------------------
+182: [06:34:57]     Test2
+145/235 Test #181: trajectoryTest .........................   Passed    0.46 sec
 test 187
         Start 187: rgroupCatchTests
 
 187: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
 187: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
 187: Test timeout computed to be: 1500
-185: [21:52:18] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
-185: [21:52:18] WARNING: not removing hydrogen atom with dummy atom neighbors
-187: Randomness seeded to: 1867626185
-187: ===============================================================================
-187: All tests passed (1475 assertions in 14 test cases)
-187: 
-168/235 Test #187: rgroupCatchTests .......................   Passed    0.49 sec
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [06:34:57] WARNING: not removing hydrogen atom with dummy atom neighbors
+146/235 Test #186: testRGroupDecompInternals ..............   Passed    0.05 sec
 test 188
         Start 188: pyRGroupDecomposition
 
 188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
 188: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
 188: Test timeout computed to be: 1500
-173: [21:52:19] Building the fingerprints may take some time.
-170: Randomness seeded to: 3003376069
-170: [21:52:19] Timed out after 11 seconds.
-171: Randomness seeded to: 3898124251
-171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
-159:  Done
-159:  ----------------- Test Github #781: Rendering single-atom molecules
-159:  Done
-159:  ----------------- Test 3
-159: file test3_1.png gave hash 4245589364U not the expected 675908852U
-159: file test3_2.png gave hash 3367333300U not the expected 2452584093U
-159: file test3_3.png gave hash 2996581333U not the expected 1907006999U
-159: file test3_4.png gave hash 3977004105U not the expected 2305641511U
-159: file test3_5.png gave hash 3967750587U not the expected 3842605920U
-159: file test3_6.png gave hash 691593501U not the expected 662622011U
-159: file test3_7.png gave hash 1614455692U not the expected 469729412U
-159:  Done
-159:  ----------------- Test Github774: upside-down drawings
-159: file test774_1.png gave hash 383494043U not the expected 428322245U
-159: file test774_2.png gave hash 2504225659U not the expected 4095288521U
-159:  Done
-159:  ----------------- Test 9 (molecule legends)
-159: file test9_1.svg gave hash 923579170U not the expected 1484349178U
-159:  Done
-159:  ----------------- Test Github852: Lines used to wedge bonds are too thick
-159: file test852_1.png gave hash 2064209894U not the expected 271517011U
-159: file test852_2.png gave hash 869339719U not the expected 967452082U
-159: ----------------
-159: ----------------
-159: ----------------
-159: ----------------
-159:  Done
-159:  ----------------- Test Github860: Atom symbols in wrong order if bond comes from right
-52: Randomness seeded to: 1359562127
-52: ===============================================================================
-52: All tests passed (14835 assertions in 14 test cases)
-52: 
-169/235 Test  #52: canonTestsCatch ........................   Passed   31.94 sec
+141: [06:34:57] Rep: 80 Mol:3
+141: [06:34:57] Rep: 80 Mol:7
+141: [06:34:57] Rep: 80 Mol:11
+141: [06:34:57] Rep: 80 Mol:15
+141: [06:34:57] Rep: 80 Mol:19
+141: [06:34:57] Rep: 80 Mol:23
+141: [06:34:57] Rep: 80 Mol:27
+141: [06:34:57] Rep: 80 Mol:31
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+183: Randomness seeded to: 3117864534
+183: ===============================================================================
+183: All tests passed (171 assertions in 5 test cases)
+183: 
+147/235 Test #183: substructLibraryCatchTest ..............   Passed    0.54 sec
 test 189
         Start 189: molInterchangeTest1
 
 189: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
 189: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
 189: Test timeout computed to be: 1500
-159: file test860_1.png gave hash 1884717540U not the expected 2835587240U
-159: file test860_2.png gave hash 3946798084U not the expected 1116015475U
-189: [21:52:21] test1: basics
-159: file test860_3.png gave hash 2321130724U not the expected 1872467868U
-159:  Done
-159:  ----------------- Test Github #910: ugly coordinates generated for peptide chains
-189: [21:52:21] done
-189: [21:52:21] test2: basic writing
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+148: [06:34:57] Molecule does not have explicit Hs. Consider calling AddHs()
+189: [06:34:57] test1: basics
+147: [06:34:57] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+141: [06:34:57] Rep: 40 Mol:2
+141: [06:34:57] Rep: 40 Mol:6
+141: [06:34:57] Rep: 40 Mol:10
+141: [06:34:57] Rep: 40 Mol:14
+117: =>start test 1 WHIM custom
+117: [06:34:57] test on : 365 molecules done
+141: [06:34:57] Rep: 40 Mol:18
+141: [06:34:57] Rep: 40 Mol:22
+141: [06:34:57] Rep: 40 Mol:26
+141: [06:34:57] Rep: 40 Mol:30
+189: [06:34:57] done
+189: [06:34:57] test2: basic writing
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]}
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]}
-189: [21:52:21] done
-189: [21:52:21] test3: writing conformers
+189: [06:34:57] done
+189: [06:34:57] test3: writing conformers
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988,-0.0452],[-0.3332,0.4556],[0.166,1.322],[0.5332,-0.0438],[-2.0652,0.4542],[-0.834,1.3212]]},{"dim":3,"coords":[[0.9554,-0.3743,-0.4679],[-0.3616,-0.1311,-0.0795],[-0.5097,1.6256,0.1706],[-0.5779,-0.792,1.1042],[1.5277,0.1064,0.1628],[-1.0339,-0.4346,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
-189: [21:52:21] done
-189: [21:52:21] test4: writing properties
+189: [06:34:57] done
+189: [06:34:57] test4: writing properties
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
-189: [21:52:21] done
-189: [21:52:21] test5: writing partial charges
+189: [06:34:57] done
+189: [06:34:57] test5: writing partial charges
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[0.5,-0.5]}]}]}
-189: [21:52:21] testing parse options
-189: [21:52:21] done
-189: [21:52:21] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
+189: [06:34:57] testing parse options
+189: [06:34:57] done
+189: [06:34:57] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
 189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
-189: [21:52:21] done
-189: [21:52:21] testing 'either' stereochemistry
-189: [21:52:21] done
-170/235 Test #189: molInterchangeTest1 ....................   Passed    0.12 sec
+189: [06:34:57] done
+189: [06:34:57] testing 'either' stereochemistry
+189: [06:34:57] done
+148/235 Test #189: molInterchangeTest1 ....................   Passed    0.07 sec
 test 190
         Start 190: molInterchangeCatchTest
 
 190: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
 190: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
 190: Test timeout computed to be: 1500
-159:  Done
-159:  ----------------- Test Github #932: mistake in SVG for wedged bonds
-159:  Done
-159:  ----------------- Test Github #953: default color should not be cyan
-159:  Done
-159:  ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly
-159:  Done
-159:  ----------------- Test Deuterium, Tritium
-159:  Done
-159:  ----------------- Test crossed bonds
-159:  Done
-159:  ----------------- Testing drawing a second molecule
-159:  Done
-159:  ----------------- Testing drawing a grid of molecules
-190: Randomness seeded to: 3905487057
-190: [21:52:21]  unrecognized bond type 12 set to zero while writing
-190: [21:52:21]  unrecognized bond type 0 set to zero while writing
+141: [06:34:57] Rep: 60 Mol:0
+141: [06:34:57] Rep: 60 Mol:4
+141: [06:34:57] Rep: 60 Mol:8
+141: [06:34:57] Rep: 60 Mol:12
+141: [06:34:57] Rep: 60 Mol:16
+141: [06:34:57] Rep: 60 Mol:20
+141: [06:34:57] Rep: 60 Mol:24
+141: [06:34:57] Rep: 60 Mol:28
+143: [06:34:57] Rep: 100 Mol:2
+190: Randomness seeded to: 1956201749
+190: [06:34:57]  unrecognized bond type 12 set to zero while writing
+190: [06:34:57]  unrecognized bond type 0 set to zero while writing
+143: [06:34:57] Rep: 100 Mol:6
+143: [06:34:57] Rep: 100 Mol:10
+143: [06:34:57] Rep: 100 Mol:14
+143: [06:34:57] Rep: 100 Mol:18
+143: [06:34:57] Rep: 100 Mol:22
+143: [06:34:57] Rep: 100 Mol:26
 190: ===============================================================================
 190: All tests passed (125 assertions in 7 test cases)
 190: 
-159:  Done
-159:  ----------------- Testing drawMolecules
-171/235 Test #190: molInterchangeCatchTest ................   Passed    0.12 sec
+151: 1595152381
+143: [06:34:57] Rep: 100 Mol:30
+149/235 Test #190: molInterchangeCatchTest ................   Passed    0.09 sec
 test 191
         Start 191: pyMolInterchange
 
 191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
 191: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
 191: Test timeout computed to be: 1500
-159: file test12_1.svg gave hash 76786371U not the expected 826649652U
-159:  Done
-159:  ----------------- Test JSON Configuration
-159:  Done
-159:  ----------------- Testing github 1090: escape html characters in SVG output
-159:  Done
-159:  ----------------- Testing github 1035: overflow bug in SVG color generation
-159:  Done
-159:  ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes
-159:  Done
-159:  ----------------- Testing github 1322: add custom atom labels
-159:  Done
-159:  ----------------- Testing use of a black & white palette
-159:  Done
-159:  ----------------- Testing use of continuous highlighting with drawMolecules
-159:  Done
-159:  ----------------- Test 17 - Testing maximum font size
-159:  Done
-159:  ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list
-159:  Done
-159:  ----------------- Testing use of fixed scales for drawing.
-159:  Done
-159:  ----------------- Testing rotation of 2D drawing.
-159:  Done
-159:  ----------------- Testing inclusion of molecule metadata
-159:  Done
-159:  ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default
-159:  Done
-159:  ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions
-159: file testGithub2151_1.svg gave hash 3620378781U not the expected 4119581143U
-159: file testGithub2151_2.svg gave hash 3896781930U not the expected 425960913U
-159:  Done
-159:  ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn
-159:  Done
-159:  ----------------- Testing testGithub2931: multi-coloured molecule highlights.
-159: file testGithub2931_1.svg gave hash 811930351U not the expected 3635831631U
-159: file testGithub2931_3.svg gave hash 1986517899U not the expected 2885834646U
-164: ........................................[21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-159:  Done
-159:  ----------------- Testing annotation of 2D Drawing.
-164: .[21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-159: file test20_1.png gave hash 1526801019U not the expected 200877868U
-164: .[21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-159: file test20_2.png gave hash 1568015929U not the expected 1651164846U
-164: .[21:52:22] The provided InitialSeed is not an MCS and will be ignored
-159: file test20_3.png gave hash 2265759724U not the expected 1463603076U
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-164: [21:52:22] The provided InitialSeed is not an MCS and will be ignored
-191: ..
-191: ----------------------------------------------------------------------
-191: Ran 2 tests in 0.029s
-191: 
-191: OK
-159: file test20_4.png gave hash 960727959U not the expected 1714613205U
-159:  Done
-159:  ----------------- Test 21 - different font
-159: Done
-159:  ----------------- Test 22 - draw explicit methyls.
-159: Done
-159:  ----------------- Testing drawing of legends.
-159:  Done
-159:  ----------------- Test Github 3305 - change and scale line widths.
-159: file testGithub3305_1.png gave hash 4250074512U not the expected 3303791649U
-164: .................
-164: ----------------------------------------------------------------------
-164: Ran 60 tests in 14.476s
-164: 
-164: OK
-172/235 Test #191: pyMolInterchange .......................   Passed    0.74 sec
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 2091974 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 2835784 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 3019283 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 3238580 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test sf.net issue 3483968 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test github issue 55 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test1 
+146: 
+146: [06:34:57] 	---------------------------------
+146: [06:34:57] 	 test multi-threading 
+146: 
+98: .
+98: ----------------------------------------------------------------------
+98: Ran 11 tests in 2.497s
+98: 
+98: OK
+98: True
+98: == CartesianProductStrategy CartesianProductStrategy
+98: 197 out of 300
+98: 0 6 out of 10
+98: 1 3 out of 5
+98: 2 4 out of 6
+98: 198 out of 300
+98: 0 10 out of 10
+98: 1 5 out of 5
+98: 2 6 out of 6
+98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7ff7aaf1dad0> Skipped 10000000 in 0.08902597427368164 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7ff7aaf1da30> Skipped 10000000 in 0.9402072429656982 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7ff7aaf1d940> Skipped 10000000 in 1.1175084114074707 seconds
+146: building molecules
+146: generating reference data
+141: [06:34:57] Rep: 60 Mol:1
+141: [06:34:57] Rep: 60 Mol:5
+141: [06:34:57] Rep: 60 Mol:9
+185: [06:34:57] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
+141: [06:34:58] Rep: 60 Mol:13
+141: [06:34:58] Rep: 60 Mol:17
+141: [06:34:58] Rep: 60 Mol:21
+141: [06:34:58] Rep: 60 Mol:25
+185: [06:34:58] WARNING: not removing hydrogen atom with dummy atom neighbors
+141: [06:34:58] Rep: 60 Mol:29
+182: [06:34:58]   done
+41: [06:34:58] done: 500000
+41: [06:34:58] Done
+187: Randomness seeded to: 3095064553
+187: ===============================================================================
+187: All tests passed (1475 assertions in 14 test cases)
+187: 
+150/235 Test #187: rgroupCatchTests .......................   Passed    0.42 sec
+182: [06:34:58] -------------------------------------
+182: [06:34:58]     Test3 (stereo options)
+148: [06:34:58] Molecule does not have explicit Hs. Consider calling AddHs()
 test 192
         Start 192: testSLNParse
 
 192: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
 192: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse
 192: Test timeout computed to be: 1500
-159: file testGithub3305_2.png gave hash 2438913291U not the expected 4003267433U
-159: file testGithub3305_3.png gave hash 1680056767U not the expected 273338209U
-159: file testGithub3305_4.png gave hash 3967750587U not the expected 3842605920U
-173/235 Test #164: pyFMCS .................................   Passed   15.45 sec
+141: [06:34:58] Rep: 60 Mol:2
+151/235 Test  #98: pyChemReactionEnumerations .............   Passed    2.97 sec
+141: [06:34:58] Rep: 60 Mol:6
+141: [06:34:58] Rep: 60 Mol:10
 test 193
         Start 193: pySLNParse
 
 193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/testSLN.py"
 193: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap
 193: Test timeout computed to be: 1500
-159: file testGithub3305_5.png gave hash 2464937348U not the expected 151279576U
-159: file testGithub3305_5.svg gave hash 3310590632U not the expected 1335449325U
-159: file testGithub3305_6.png gave hash 1984494277U not the expected 613418460U
-159: file testGithub3305_7.png gave hash 2361405774U not the expected 2835747678U
-159: Done
-159:  ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules.
+141: [06:34:58] Rep: 60 Mol:14
+141: [06:34:58] Rep: 60 Mol:18
+141: [06:34:58] Rep: 60 Mol:22
+141: [06:34:58] Rep: 60 Mol:26
+141: [06:34:58] Rep: 60 Mol:30
+41: [06:34:58] Testing hanoi with a functor.
 192: Atoms:
 192: 	0 6 C chg: 1  deg: 5 exp: N/A imp: 0 hyb: 
 192: 	1 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
@@ -31013,1079 +30004,283 @@
 192: 	2 0->3 order: 1
 192: 	3 0->4 order: 1
 192: 	4 0->5 order: 1
-192: [21:52:22] SLN Parse Error: syntax error while parsing: CH4[I=13]
-192: [21:52:22] Failed parsing SLN 'CH4[I=13]'
-192: [21:52:22] SLN Parser error: Atom ID 1 appears *after* its ring closure.
-192: [21:52:22] SLN Parser error: Ring closure 1 does not have a corresponding opener.
-192: [21:52:22] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
-192: [21:52:22] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
-192: [21:52:22] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
-192: [21:52:22] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
-192: [21:52:22] SLN Parse Error: syntax error while parsing: CH4	fff
-192: [21:52:22] Failed parsing SLN 'CH4	fff'
-192: [21:52:22] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
-192: [21:52:22] Failed parsing SLN 'C[charge=+1] 	foo'
-159: Done
-159:  ----------------- Test Github 4156 - bad scale for radicals in grid
-192: [21:52:22] Query property 'is' ignored on non-query atom
-192: [21:52:22] Query property 'is' ignored on non-query atom
-174/235 Test #192: testSLNParse ...........................   Passed    0.25 sec
-159:  Done
-159:  ----------------- Test JSON atomColourPalette
-159:  Done
-159:  ----------------- Test draw aromatic OR queries
+192: [06:34:58] SLN Parse Error: syntax error while parsing: CH4[I=13]
+192: [06:34:58] Failed parsing SLN 'CH4[I=13]'
+41: [06:34:58] Done
+41: [06:34:58] Testing basic partition refinement.
+41: [06:34:58] Done
+41: [06:34:58] Testing partition refinement with neighbors.
+41: [06:34:58] Done
+41: [06:34:58] testing canonicalization via tie breaking.
+41: [06:34:58] Done
+41: [06:34:58] testing canonicalization using the wrapper.
+192: [06:34:58] SLN Parser error: Atom ID 1 appears *after* its ring closure.
+192: [06:34:58] SLN Parser error: Ring closure 1 does not have a corresponding opener.
+192: [06:34:58] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
+192: [06:34:58] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
+192: [06:34:58] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
+192: [06:34:58] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
+192: [06:34:58] SLN Parse Error: syntax error while parsing: CH4	fff
+192: [06:34:58] Failed parsing SLN 'CH4	fff'
+192: [06:34:58] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
+192: [06:34:58] Failed parsing SLN 'C[charge=+1] 	foo'
+192: [06:34:58] Query property 'is' ignored on non-query atom
+192: [06:34:58] Query property 'is' ignored on non-query atom
+152/235 Test #192: testSLNParse ...........................   Passed    0.08 sec
 test 194
         Start 194: pyGraphMolWrap
 
 194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rough_test.py"
 194: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 194: Test timeout computed to be: 1500
-159:  Done
-159:  ----------------- Test AND queries
-159:  Done
-175/235 Test #159: moldraw2DTest1 .........................   Passed   18.78 sec
+122: =>start test GETAWAY
+122: [06:34:58] test on : 365 molecules done
+153/235 Test #122: testGETAWAY ............................   Passed    2.82 sec
 test 195
         Start 195: pyTestConformerWrap
 
 195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testConformer.py"
 195: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 195: Test timeout computed to be: 1500
-182: [21:52:22] -------------------------------------
-182: [21:52:22]    testing PatternHolder
-193: ..
-193: ----------------------------------------------------------------------
-193: Ran 2 tests in 0.032s
-193: 
-193: OK
-176/235 Test #193: pySLNParse .............................   Passed    0.74 sec
+160: file testHandDrawn-5a.svg gave hash 3327818543U not the expected 1567781555U
+160: [06:34:58] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [06:34:58] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+41: [06:34:58] Done
+41: [06:34:58] testing some specific ordering problems
+41: [06:34:58] Finished
+41: [06:34:58] testing chiral invariants.
+41: [06:34:58] Finished
+41: [06:34:58] testing unique ranks in w.r.t. renumbering.
+148: [06:34:58] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-5b.svg gave hash 2125846125U not the expected 66354106U
+160: [06:34:58] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+141: [06:34:58] Rep: 80 Mol:0
+160: [06:34:58] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+141: [06:34:58] Rep: 80 Mol:4
+141: [06:34:58] Rep: 80 Mol:8
+191: ..
+191: ----------------------------------------------------------------------
+191: Ran 2 tests in 0.025s
+191: 
+191: OK
+141: [06:34:58] Rep: 80 Mol:12
+141: [06:34:58] Rep: 80 Mol:16
+141: [06:34:58] Rep: 80 Mol:20
+141: [06:34:58] Rep: 80 Mol:24
+141: [06:34:58] Rep: 80 Mol:28
+182: [06:34:58]     Done (stereo options)
+182: [06:34:58] -------------------------------------
+182: [06:34:58]     Test4 (trusted smiles)
+154/235 Test #191: pyMolInterchange .......................   Passed    0.41 sec
 test 196
         Start 196: pyTestTrajectory
 
 196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testTrajectory.py"
 196: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 196: Test timeout computed to be: 1500
-182: [21:52:23] -------------------------------------
-182: [21:52:23]    testing TautomerPatternHolder
-195: ......
-195: ----------------------------------------------------------------------
-195: Ran 6 tests in 0.021s
-195: 
-195: OK
-177/235 Test #195: pyTestConformerWrap ....................   Passed    0.91 sec
+160: file testHandDrawn-5.png gave hash 2537746017U not the expected 828378555U
+41: [06:34:58] Finished
+41: [06:34:58] testing mol fragments.
+41: [06:34:58] Finished
+41: [06:34:58] testing protein round-tripping.
+141: [06:34:58] Rep: 80 Mol:1
+141: [06:34:58] Rep: 80 Mol:5
+141: [06:34:58] Rep: 80 Mol:9
+141: [06:34:58] Rep: 80 Mol:13
+141: [06:34:58] Rep: 80 Mol:17
+141: [06:34:58] Rep: 80 Mol:21
+141: [06:34:58] Rep: 80 Mol:25
+141: [06:34:58] Rep: 80 Mol:29
+141: [06:34:58] Rep: 80 Mol:2
+141: [06:34:58] Rep: 80 Mol:6
+141: [06:34:58] Rep: 80 Mol:10
+182: [06:34:58]     Done (trusted smiles)
+182: [06:34:58] -------------------------------------
+182: [06:34:58]     Testing C++ docs
+182: [06:34:58]     Done (C++ doc tests)
+182: [06:34:58] -------------------------------------
+182: [06:34:58]     Testing C++ ring query: PatternHolder
+141: [06:34:58] Rep: 80 Mol:14
+182: [06:34:58]     Done (C++ ring query tests)
+182: [06:34:58] -------------------------------------
+182: [06:34:58]     Testing C++ ring query: TautomerPatternHolder
+182: [06:34:58]     Done (C++ ring query tests)
+182: [06:34:58] -------------------------------------
+182: [06:34:58]    Add Patterns 
+141: [06:34:58] Rep: 80 Mol:18
+141: [06:34:58] Rep: 80 Mol:22
+141: [06:34:58] Rep: 80 Mol:26
+141: [06:34:58] Rep: 80 Mol:30
+151: 518518365
+151: ===============================================================================
+151: All tests passed (73 assertions in 3 test cases)
+151: 
+155/235 Test #151: molAlignCatchTest ......................   Passed    2.36 sec
 test 197
         Start 197: pyTestSGroups
 
 197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
 197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
 197: Test timeout computed to be: 1500
-182: [21:52:24] -------------------------------------
-182: [21:52:24]    testSegFaultInHolder
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES[21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] [21:52:24] [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: [21:52:24] SMILES Parse Error: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: check for mistakes around position [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf[21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: syntax error while parsing: dsafsdf
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] [21:52:24] [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] [21:52:24] [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf[21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:[21:52:24] 
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[21:52:24] SMILES Parse Error: syntax error[21:52:24] dsafsdf
-182: [21:52:24] ^
-182: SMILES Parse Error: [21:52:24] [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:[21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: dsafsdf'
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position [21:52:24] [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: '
-182: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [21:52:24] SMILES Parse Error: check for mistakes around position 1:
-182: [21:52:24] dsafsdf
-182: [21:52:24] ^
-182: [21:52:24] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [21:52:24] -------------------------------------
-182: [21:52:24]    Results do not depend on numThreads 
-185: iterative
-196: [21:52:24] 
+173: Randomness seeded to: 575041804
+173: [06:34:58] Writing the enumerated file may take quite some time and result in a large file.
+160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
+193: ..
+193: ----------------------------------------------------------------------
+193: Ran 2 tests in 0.012s
+193: 
+193: OK
+156/235 Test #193: pySLNParse .............................   Passed    0.50 sec
+test 198
+        Start 198: pyTestThreads
+
+198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
+198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+198: Test timeout computed to be: 1500
+160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
+195: ......
+195: ----------------------------------------------------------------------
+195: Ran 6 tests in 0.020s
+195: 
+195: OK
+157/235 Test #195: pyTestConformerWrap ....................   Passed    0.46 sec
+test 199
+        Start 199: pyTestMultithreadedMolSupplier
+
+199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
+199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+199: Test timeout computed to be: 1500
+160: [06:34:58] unrecognized bond typefile testGithub4238_1.png gave hash 1999044295U not the expected 2623427676U
+160: file testGithub4323_1.png gave hash 1674734291U not the expected 3075787867U
+143: [06:34:58]   done
+143: [06:34:58] -------------------------------------
+143: [06:34:58]     Test UFF multithreading2
+158/235 Test  #43: resMolSupplierTest .....................   Passed    3.92 sec
+test 200
+        Start 200: pyTestPropertyLists
+
+200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
+200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+200: Test timeout computed to be: 1500
+141: [06:34:58]   done
+141: [06:34:58] -------------------------------------
+141: [06:34:58]     Test MMFF multithreading2
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+194: ..............[06:34:58] SMARTS Parse Error: syntax error while parsing: fiib
+194: [06:34:58] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
+163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
+163: Time elapsed 0.005 seconds
+163: 
+163:  test32()
+163: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
+163: Time elapsed 0.087 seconds
+163: 
+163:  test190()
+163: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
+163: Time elapsed 0.009 seconds
+163: 
+163:  test3()
+163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
+163: Time elapsed 0.015 seconds
+163: 
+163: testSimpleFast()
+163: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
+163: Time elapsed 0.146 seconds
+163: 
+163: testSimple()
+163: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+163: Time elapsed 0.185 seconds
+163: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+163: Time elapsed 0.127 seconds
+163: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
+163: Time elapsed 0.173 seconds
+163: 
+163: testSegFault()
+163: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+163: Time elapsed 0.013 seconds
+163: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
+163: Time elapsed 0.039 seconds
+163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
+163: Time elapsed 0.039 seconds
+163: 
+163: testThreshold()
+163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testRing1()
+163: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
+163: Time elapsed 0.739 seconds
+163: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
+163: Time elapsed 0.557 seconds
+163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
+163: Time elapsed 0.393 seconds
+163: 
+163: testAtomCompareIsotopes()
+163: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testAtomCompareAnyAtom()
+163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testAtomCompareAnyAtom()
+163: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testAtomCompareAnyAtom()
+163: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testAtomCompareAnyAtom()
+163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds
+163: Time elapsed 0.000 seconds
+163: 
+163: testJnk1LigandsDistance()
+163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
+163: Time elapsed 0.009 seconds
+163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
+194: ....[06:34:58] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] Spurious data before the first property will be ignored
+194: [06:34:59] Property <ID> will be truncated after the first blank line
+194: [06:34:59] Property <ID> will be truncated after the first blank line
+194: [06:34:59] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [06:34:59] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] Spurious data before the first property will be ignored
+194: [06:34:59] Property <ID> will be truncated after the first blank line
+194: [06:34:59] Property <ID> will be truncated after the first blank line
+194: [06:34:59] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [06:34:59] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [06:34:59] ERROR: Problems encountered parsing data fields
+194: [06:34:59] ERROR: moving to the beginning of the next molecule
+194: [06:34:59] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: .[06:34:59] SMILES Parse Error: syntax error while parsing: fail
+194: [06:34:59] SMILES Parse Error: check for mistakes around position 1:
+194: [06:34:59] fail
+194: [06:34:59] ^
+194: [06:34:59] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+194: [06:34:59] ERROR: Smiles parse error on line 2
+194: [06:34:59] ERROR: Cannot create molecule from : 'fail'
+194: >>> This may result in an infinite loop.  It should finish almost instantly
+194: <<< OK, it finished.
+160: file testGithub4323_3.png gave hash 4270327094U not the expected 381907253U
+160: [06:34:59] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+172: ....
+172: ----------------------------------------------------------------------
+172: Ran 14 tests in 2.040s
+172: 
+172: OK
+196: [06:34:59] 
 196: 
 196: ****
+194: ............[06:34:59] Explicit valence for atom # 1 C, 5, is greater than permitted
 196: Pre-condition Violation
 196: from must be < size()
 196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32097,23 +30292,23 @@
 196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32145,15 +30340,17 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:24] 
+196: .[06:34:59] 
 196: 
 196: ****
+41: [06:34:59] Finished
+41: [06:34:59] testing stability w.r.t. renumbering.
 196: Pre-condition Violation
 196: from must be < size()
 196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32165,23 +30362,23 @@
 196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32213,15 +30410,552 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:25] 
+148: [06:34:59] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ......[06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
+197: .............
+197: ----------------------------------------------------------------------
+197: Ran 13 tests in 0.065s
+197: 
+197: OK
+197: Testing SubstanceGroups wrapper
+159/235 Test #172: pyRascalMCES ...........................   Passed    2.53 sec
+test 201
+        Start 201: pyCDXMLTest
+
+201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
+201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+201: Test timeout computed to be: 1500
+163: Time elapsed 0.002 seconds
+163: 
+163: test18()
+163: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1
+163: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds
+163: Time elapsed 0.007 seconds
+163: 
+163: test504()
+163: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1
+163: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds
+163: Time elapsed 0.093 seconds
+163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
+163: Time elapsed 0.001 seconds
+163: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds
+163: Time elapsed 0.028 seconds
+163: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
+163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0011 seconds. bond[0]=6
+163: STATISTICS:
+163: Total Growing Steps  = 1, MCS found on 1 step, for 0.0011 seconds
+163: Initial   Seeds      = 1,  Mismatched 0
+163: Inspected Seeds      = 2
+163: Rejected by BestSize = 0
+163: IndividualBondExcluded   = 0
+163: MatchCheck Seeds     = 2
+163:      MatchCalls = 2
+163:      MatchFound = 1
+163:  fastMatchCalls = 1
+163:  fastMatchFound = 0
+163:  slowMatchCalls = 2
+163:  slowMatchFound = 1
+163:   DupCacheFound = 0   0 matched, 0 mismatched
+163: HashCache size  = 1 keys
+163: HashCache size  = 1 entries
+163: FindHashInCache = 2
+163: HashFoundInCache= 0
+163: ExactMatchCalls = 0
+163: ExactMatchFound = 0
+163: Time elapsed 0.001 seconds
+163: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
+163: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
+163: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
+163: res sub = 1 size=3
+163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = C(F)C useChirality = 1
+163: res sub = 1 size=3
+163: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds
+163: test target = CC[C@H](F)Cl query = CCC useChirality = 0
+163: res sub = 1 size=3
+163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = CC[C@H](F)Cl query = CCC useChirality = 1
+163: res sub = 1 size=3
+163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = CCC(F)Cl query = CC useChirality = 0
+163: res sub = 1 size=2
+163: MCS: [#6]-[#6] 2 atoms, 1 bonds
+163: test target = CCC(F)Cl query = CC useChirality = 1
+163: res sub = 1 size=2
+163: MCS: [#6]-[#6] 2 atoms, 1 bonds
+163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1
+163: res sub = 1 size=4
+163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1
+163: res sub = 1 size=4
+163: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0
+163: res sub = 0 size=0
+163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1
+163: res sub = 0 size=0
+163: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1
+163: res sub = 0 size=0
+163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = OC(F)CCl query = OC(F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = OC(F)CCl query = OC(F)C useChirality = 1
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1
+163: res sub = 0 size=0
+163: MCS: [#9] 1 atoms, 0 bonds
+163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
+163: res sub = 1 size=4
+163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
+163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
+163: res sub = 0 size=0
+163: MCS: [#9] 1 atoms, 0 bonds
+163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0
+163: res sub = 1 size=3
+163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1
+163: res sub = 1 size=3
+163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0
+163: res sub = 1 size=3
+163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1
+163: res sub = 1 size=3
+163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
+163: 
+163: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>>
+163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0
+163: res sub = 1 size=3
+163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1
+163: res sub = 1 size=3
+163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: 	done
+41: [06:34:59] Finished
+41: [06:34:59] testing smiles round-tripping.
+194: ........[06:34:59] non-ring atom 0 marked aromatic
+194: [06:34:59] non-ring atom 0 marked aromatic
+194: [06:34:59] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x00007F5673483170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+194: [06:34:59] non-ring atom 0 marked aromatic
+194: [06:34:59] non-ring atom 0 marked aromatic
+194: [06:34:59] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x00007F5673483170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+143: [06:34:59]   done
+143: [06:34:59] -------------------------------------
+143: [06:34:59]     Test UFF multithreading3
+194: ...............[06:34:59] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+194: [06:34:59] 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.
+148: [06:34:59] Molecule does not have explicit Hs. Consider calling AddHs()
+199: .s.
+199: ----------------------------------------------------------------------
+199: Ran 3 tests in 0.186s
+199: 
+199: OK (skipped=1)
+199: Testing Smiles and SD MultithreadedMolSupplier
+200: [06:34:59] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [06:34:59] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [06:34:59] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .[06:34:59] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [06:34:59] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [06:34:59] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: ...[06:34:59] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [06:34:59] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [06:34:59] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .
+200: ----------------------------------------------------------------------
+200: Ran 5 tests in 0.022s
+200: 
+200: OK
+194: ..............[06:34:59] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+194: [06:34:59] Explicit valence for atom # 1 C, 5, is greater than permitted
+141: [06:34:59]   done
+141: [06:34:59] -------------------------------------
+141: [06:34:59]     Test MMFF multithreading3
+41: [06:34:59] Finished
+41: [06:34:59] testing github #1567: Non-canonical result from MolFragmentToSmiles()
+41: [06:34:59] Finished
+160/235 Test  #41: hanoiTest ..............................   Passed    4.43 sec
+test 202
+        Start 202: molStandardizeTest
+
+202: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
+202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+202: Test timeout computed to be: 1500
+70: [06:34:59] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:59] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:59] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:59] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [06:34:59]  deprecated group abbreviation ignored on line 24
+161/235 Test #197: pyTestSGroups ..........................   Passed    0.85 sec
+test 203
+        Start 203: molNormalizeTest
+
+203: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
+203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+203: Test timeout computed to be: 1500
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [06:34:59] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x00007F82450C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x00007F82450D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x00007F82450D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x0000563A13E9DCB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x0000563A13F04492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x0000563A13E84A33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x00007F8244633CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70: 14# 0x0000563A13E84B61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+29: All 191 tests passed
+162/235 Test #200: pyTestPropertyLists ....................   Passed    0.53 sec
+test 204
+        Start 204: molValidateTest
+
+204: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
+204: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+204: Test timeout computed to be: 1500
+163/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    0.74 sec
+test 205
+        Start 205: molChargeTest
+
+205: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
+205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+205: Test timeout computed to be: 1500
+203: [06:34:59] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
+160: file testFlexiCanvas.2a.png gave hash 2907977766U not the expected 2609920321U
+160: file testFlexiCanvas.2b.png gave hash 1585391483U not the expected 3615599154U
+160: file testFlexiCanvas.3.svg gave hash 236661785U not the expected 3544316588U
+188: ....................
+188: ----------------------------------------------------------------------
+188: Ran 20 tests in 1.410s
+188: 
+188: OK
+164/235 Test #205: molChargeTest ..........................   Passed    0.10 sec
+test 206
+        Start 206: molTautomerTest
+
+206: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
+206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+206: Test timeout computed to be: 1500
+203: [06:34:59] Initializing Normalizer
+203: [06:34:59] Running Normalizer
+203: [06:34:59] Rule applied: BrokenazidetoN=N+=N-
+203: [06:34:59] Initializing Normalizer
+203: [06:34:59] Running Normalizer
+203: [06:34:59] Initializing Normalizer
+203: [06:34:59] Running Normalizer
+201: .
+201: ----------------------------------------------------------------------
+201: Ran 1 test in 0.012s
+201: 
+201: OK
+165/235 Test #203: molNormalizeTest .......................   Passed    0.21 sec
+test 207
+        Start 207: molStandardizeSmallTest
+
+207: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
+207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+207: Test timeout computed to be: 1500
+143: [06:34:59]   done
+143: [06:34:59] -------------------------------------
+143: [06:34:59]     Testing GitHubIssue62.
+160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
+160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
+160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
+204: ERROR: [FeaturesValidation] Query atom 0 is not allowed
+204: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed
+204: ERROR: [FeaturesValidation] Query bond 0 is not allowed
+204: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed
+204: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed
+204: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed
+204: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed
+204: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds.
+204: here
+204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
+204: there
+204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
+143: [06:34:59] beta-lactam 39.6387
+143: [06:34:59] cyclopropanone 174.698
+143: [06:34:59] aziridine 337.986
+143: [06:34:59] aziridinone 115.248
+160: file testGithub4764.sz1.png gave hash 1417438968U not the expected 2179222277U
+143: [06:34:59] isobutene 2.48217
+143: [06:34:59] acetone 1.91788
+169: .........
+169: ----------------------------------------------------------------------
+169: Ran 9 tests in 2.719s
+169: 
+169: OK
+143: [06:34:59] cyclopentanone 10.1648
+166/235 Test #204: molValidateTest ........................   Passed    0.24 sec
+test 208
+        Start 208: molFragmentTest
+
+208: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
+208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+208: Test timeout computed to be: 1500
+143: [06:34:59] cyclopropene 99.4921
+143: [06:34:59] cyclobutene 41.0156
+143: [06:34:59] cyclopropane 267.236
+160: file testGithub4764.sz2.png gave hash 2455997703U not the expected 444262090U
+143: [06:34:59] gamma-lactam 15.7471
+167/235 Test #188: pyRGroupDecomposition ..................   Passed    1.94 sec
+test 209
+        Start 209: molStandardizeCatchTest
+
+209: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
+209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+209: Test timeout computed to be: 1500
+168/235 Test #201: pyCDXMLTest ............................   Passed    0.51 sec
+test 210
+        Start 210: molStandardizePipelineTest
+
+210: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
+210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+210: Test timeout computed to be: 1500
+143: [06:34:59] trans-2,3-diphenylcyclopropan-1-one 203.398
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
+169/235 Test #207: molStandardizeSmallTest ................   Passed    0.10 sec
+test 211
+        Start 211: pyMolStandardize
+
+211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
+211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
+211: Test timeout computed to be: 1500
+141: [06:34:59]   done
+141: [06:34:59] -------------------------------------
+141: [06:34:59]     Testing github 162: Incorrect SMILES after MMFF parameterization .
+141: [06:34:59]   done
+141: [06:34:59] -------------------------------------
+141: [06:34:59]     Testing github 224: crash during MMFF parameterization .
+141: [06:34:59]   done
+141: [06:34:59] -------------------------------------
+141: [06:34:59]     Testing github6728: crash due to missing stretch-bend params.
+170/235 Test #169: pyMMPA .................................   Passed    3.16 sec
+test 212
+        Start 212: testScaffoldNetwork
+
+212: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
+212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
+212: Test timeout computed to be: 1500
+160: file testGithub4764.sz3.png gave hash 182513311U not the expected 3567162200U
+196: .[06:34:59] 
 196: 
 196: ****
+171/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    3.87 sec
+148: [06:34:59] Molecule does not have explicit Hs. Consider calling AddHs()
+test 213
+        Start 213: pyScaffoldNetwork
+
+213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
+213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+213: Test timeout computed to be: 1500
+70: [06:34:59] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [06:34:59] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
 196: Range Error
 196: snapshotNum
 196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32234,23 +30968,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x00000000005BEE79 in /usr/bin/python3
@@ -32282,13 +31016,13 @@
 196: 51# 0x000000000067EB1E in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:25] 
+196: .[06:34:59] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32302,23 +31036,23 @@
 196:  2# RDKit::readAmberTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32350,15 +31084,16 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: ..[21:52:25] 
+196: ..[06:34:59] 
 196: 
 196: ****
+143: [06:34:59] cis-2,3-diphenylcyclopropan-1-one 206.852
 196: Pre-condition Violation
 196: The trajectory must have dimension == 3
 196: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32370,23 +31105,23 @@
 196:  2# RDKit::readGromosTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32418,13 +31153,13 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:25] 
+196: .[06:34:59] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32438,23 +31173,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32486,13 +31221,13 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [21:52:25] 
+196: [06:34:59] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32506,23 +31241,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32554,15 +31289,18 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:25] 
+196: .[06:34:59] 
 196: 
 196: ****
+210: Randomness seeded to: 764839792
+210: 1 Counts line too short: '' on line4
+210: 1 Could not instantiate a valid molecule from input
 196: Range Error
 196: snapshotNum
 196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32575,23 +31313,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x00000000005BEE79 in /usr/bin/python3
@@ -32623,13 +31361,13 @@
 196: 51# 0x000000000067EB1E in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [21:52:25] 
+196: [06:34:59] 
 196: 
 196: ****
 196: Range Error
@@ -32643,23 +31381,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32691,15 +31429,16 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: .[21:52:25] 
+196: .[06:34:59] 
 196: 
 196: ****
+143: [06:34:59] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
 196: Range Error
 196: snapshotNum
 196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
@@ -32712,23 +31451,23 @@
 196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 23# _PyObject_MakeTpCall in /usr/bin/python3
 196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 25# 0x00000000005BEE79 in /usr/bin/python3
@@ -32760,13 +31499,13 @@
 196: 51# 0x000000000067EB1E in /usr/bin/python3
 196: 52# Py_RunMain in /usr/bin/python3
 196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 56# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [21:52:25] 
+196: [06:34:59] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32780,23 +31519,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32828,13 +31567,14 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
-196: [21:52:25] 
+143: [06:34:59] cyclopropylidencyclobutane 218.879
+196: [06:34:59] 
 196: 
 196: ****
 196: Pre-condition Violation
@@ -32848,23 +31588,23 @@
 196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
 196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
 196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F295FFCA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FEB83F2C62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F295DBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F295DBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F295DBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F295DBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F295DBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FEB81BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FEB81BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FEB81BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FEB81BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FEB81BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F295FFC73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FEB83F293C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 196: 22# _PyObject_MakeTpCall in /usr/bin/python3
 196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
 196: 24# 0x00000000005BEE79 in /usr/bin/python3
@@ -32896,25 +31636,2183 @@
 196: 50# 0x000000000067EB1E in /usr/bin/python3
 196: 51# Py_RunMain in /usr/bin/python3
 196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F2960780CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 53# 0x00007FEB846D5CA8 in /lib/x86_64-linux-gnu/libc.so.6
 196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 196: 55# _start in /usr/bin/python3
 196: ----------
 196: ****
 196: 
+160: file github5383_1.svg gave hash 4241964660U not the expected 1815941817U
 196: .
 196: ----------------------------------------------------------------------
-196: Ran 9 tests in 1.139s
+196: Ran 9 tests in 0.653s
 196: 
 196: OK
 196: Testing Trajectory wrapper
-178/235 Test #196: pyTestTrajectory .......................   Passed    2.32 sec
-test 198
-        Start 198: pyTestThreads
+210: 8 Molecule has no atoms
+210: [06:34:59] Explicit valence for atom # 1 N, 4, is greater than permitted
+210: [06:34:59] Explicit valence for atom # 1 N, 4, is greater than permitted
+160: file github5383_2.svg gave hash 2560846108U not the expected 0U
+210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
+210: 128 An error occurred while preparing the molecule for standardization.
+210: 8 The molecule contains an unknown isotope: 3C
+210: 4 Query atom 0 is not allowed
+160: file github5383_1.png gave hash 53778753U not the expected 2893520928U
+210: 4 Bond 0 of aromatic type is not allowed
+210: 4 Bond 1 of aromatic type is not allowed
+210: 4 Bond 2 of aromatic type is not allowed
+210: 4 Bond 3 of aromatic type is not allowed
+210: 4 Bond 5 of aromatic type is not allowed
+210: 4 Bond 6 of aromatic type is not allowed
+160: file acs1996_1.png gave hash 1997633690U not the expected 2329725800U
+210: 4 Bond 2 of dative type is not allowed
+210: 4 Bond 3 of dative type is not allowed
+143: [06:34:59] diphenylmethylidencyclobutane 79.6139
+143: [06:34:59]   done
+143: [06:34:59] -------------------------------------
+143: [06:34:59]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
+143: [06:34:59]   done
+143: [06:34:59] -------------------------------------
+143: [06:34:59]     Test square planar complexes
+143: [06:34:59]   done
+143: [06:34:59] -------------------------------------
+143: [06:34:59]     Test octahedral complexes
+143: [06:34:59]   done
+210: 4 Enhanced stereochemistry features are not allowed
+208: [06:34:59] SMARTS Parse Error: syntax error while parsing: [Cl
+208: [06:34:59] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
+160: file acs1996_2.png gave hash 3378065352U not the expected 2996350718U
+160: file acs1996_3.svg gave hash 3058522544U not the expected 879041204U
+210: 8 The radical at atom 0 is not allowed
+172/235 Test #143: testUFFForceFieldHelpers ...............   Passed    3.92 sec
+test 214
+        Start 214: pyScaffoldNetworkPickling
 
-198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
-198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-198: Test timeout computed to be: 1500
+214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
+214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+214: Test timeout computed to be: 1500
+210: [06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+173/235 Test #208: molFragmentTest ........................   Passed    0.14 sec
+test 215
+        Start 215: testMolEnumerator
+
+215: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
+215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator
+215: Test timeout computed to be: 1500
+210: 16 The molecule includes non-null Z coordinates
+210: 32 Atom 0 too close to bond 2
+70: ----------------------------------
+70: ----------------------------------
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Issue252: Bad definitions for Crippen atom types.
+70: [06:34:59] 
+70: 
+70: ****
+210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
+70: Pre-condition Violation
+70: rlabel out of range for MDL files
+70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
+70: Failed Expression: rlabel >= 0 && rlabel < 100
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+70:  3# 0x0000563A13EAB09F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x0000563A13F0450A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x0000563A13E84A33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x00007F8244633CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70:  8# 0x0000563A13E84B61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+174/235 Test #196: pyTestTrajectory .......................   Passed    1.43 sec
+test 216
+        Start 216: pyMolEnumerator
+
+216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
+216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
+216: Test timeout computed to be: 1500
+70: ****
+70: 
+70: [06:34:59] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of ChiVs.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of ChiNs.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of HallKierAlpha.
+210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+210: [06:34:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+160: [06:34:59] 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.
+210: 16 The molecule includes non-null Z coordinates
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of Kappa1.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of Kappa2.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of Kappa3.
+210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Crippen atom type calculations.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test ring descriptors
+160: file bond_highlights_8.svg gave hash 3610726614U not the expected 3119784980U
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test other count descriptors.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test MQN
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test GitHub Issue 56.
+111: [06:34:59] WARNING: not removing hydrogen atom without neighbors
+111: [06:34:59] WARNING: not removing hydrogen atom without neighbors
+111: [06:34:59] WARNING: not removing hydrogen atom without neighbors
+111: [06:34:59] WARNING: not removing hydrogen atom without neighbors
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github92: Bad Crippen atom type for pyrrole H.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github362: order dependence  in Kier-Hall descriptors.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test calculation of spiro and bridgehead counts.
+148: [06:34:59] Molecule does not have explicit Hs. Consider calling AddHs()
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github694: ExactMolWt ignoring the mass of the electron
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Testing Properties and KitchenSink
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+111: [06:34:59] ---Caught keyerror (bad property name)---
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test USR Descriptor
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github #1973: support P and S terms for TPSA calculation
+111: [06:34:59]   done
+111: [06:34:59] -------------------------------------
+111: [06:34:59]     Test Github #2948: Empty molecule has non-zero LabuteASA
+111: [06:34:59]   done
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+175/235 Test #111: testDescriptors ........................   Passed    4.61 sec
+test 217
+        Start 217: testAbbreviations
+
+217: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
+217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations
+217: Test timeout computed to be: 1500
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The "wavy" style of bond 4 was removed
+210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 2 was removed
+215: Randomness seeded to: 3679440723
+215: [06:34:59] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+194: ............................[06:34:59]  unable to set wavy bonds for double bonds: 3
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+210: 16777216 The "wavy" style of bond 4 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 3 was removed
+217: Randomness seeded to: 692239992
+217: [06:34:59] SMARTS Parse Error: syntax error while parsing: *fail
+217: [06:34:59] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
+160: file test_github6112.svg gave hash 3865338574U not the expected 3278777629U
+210: 16777216 The representation of some functional groups was adjusted.
+217: [06:34:59] no suitable SubstanceGroups found
+217: ===============================================================================
+217: All tests passed (195 assertions in 12 test cases)
+217: 
+176/235 Test #217: testAbbreviations ......................   Passed    0.07 sec
+210: [06:34:59] Can't kekulize mol.  Unkekulized atoms: 2 3 5
+test 218
+        Start 218: pyAbbreviations
+
+218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
+218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
+218: Test timeout computed to be: 1500
+194: .............[06:34:59] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 6 < 5
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+215: ===============================================================================
+215: All tests passed (321 assertions in 16 test cases)
+215: 
+210: ===============================================================================
+210: All tests passed (268 assertions in 5 test cases)
+210: 
+177/235 Test #215: testMolEnumerator ......................   Passed    0.17 sec
+test 219
+        Start 219: generalizedSubstructCatch
+
+219: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
+219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
+219: Test timeout computed to be: 1500
+178/235 Test #210: molStandardizePipelineTest .............   Passed    0.28 sec
+test 220
+        Start 220: pyGeneralizedSubstruct
+
+220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
+220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
+220: Test timeout computed to be: 1500
+12: ..................
+12: ----------------------------------------------------------------------
+12: Ran 18 tests in 4.929s
+12: 
+12: OK
+148: [06:34:59] Molecule does not have explicit Hs. Consider calling AddHs()
+70: [06:35:00] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [06:35:00] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+179/235 Test  #12: pyBV ...................................   Passed    5.20 sec
+test 221
+        Start 221: testMolProcessing
+
+221: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
+221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing
+221: Test timeout computed to be: 1500
+214: .
+214: ----------------------------------------------------------------------
+214: Ran 1 test in 0.020s
+214: 
+214: OK
+216: ...
+216: ----------------------------------------------------------------------
+216: Ran 3 tests in 0.017s
+216: 
+216: OK
+70: [06:35:00] Empty atom list: 'M  ALS   1  0 F' on line 8.
+180/235 Test  #70: fileParsersTest1 .......................   Passed    5.06 sec
+test 222
+        Start 222: pyMolProcessing
+
+222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
+222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
+222: Test timeout computed to be: 1500
+181/235 Test #216: pyMolEnumerator ........................   Passed    0.35 sec
+test 223
+        Start 223: testMIF
+
+223: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
+223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields
+223: Test timeout computed to be: 1500
+182/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    0.39 sec
+test 224
+        Start 224: pyMIF
+
+224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
+224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
+224: Test timeout computed to be: 1500
+213: .......
+213: ----------------------------------------------------------------------
+213: Ran 7 tests in 0.051s
+213: 
+213: OK
+148: [06:35:00] Molecule does not have explicit Hs. Consider calling AddHs()
+223: Randomness seeded to: 4207716908
+223: ===============================================================================
+223: All tests passed (27926 assertions in 8 test cases)
+223: 
+183/235 Test #223: testMIF ................................   Passed    0.09 sec
+test 225
+        Start 225: testQuery
+
+225: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/testQuery
+225: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query
+225: Test timeout computed to be: 1500
+184/235 Test #213: pyScaffoldNetwork ......................   Passed    0.54 sec
+test 226
+        Start 226: testBaseFeatures
+
+226: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/testBaseFeatures
+226: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features
+226: Test timeout computed to be: 1500
+225: Query
+225: Query2
+225: Equality
+225: Greater
+225: GreaterEqual
+225: Less
+225: LessEqual
+225: Open Range
+225: Closed Range
+225: Float
+225: With Tolerance
+225: Set
+225: And
+225: Or
+225: XOr
+225: pointer and copy foo
+225: Set2
+160: file AtropManyChiralsEnhanced.svg gave hash 3443464321U not the expected 2256768013U
+185/235 Test #225: testQuery ..............................   Passed    0.01 sec
+226: -------------------------------------
+226: Basics for ExplicitFeatures.
+226:   done
+226: -------------------------------------
+226: Basics for ImplicitFeatures.
+226:   done
+226: -------------------------------------
+226: ExplicitFeatures 2D, string type.
+226:   done
+test 227
+        Start 227: testMatCalc
+
+227: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
+227: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc
+227: Test timeout computed to be: 1500
+186/235 Test #226: testBaseFeatures .......................   Passed    0.01 sec
+test 228
+        Start 228: pyMatCalc
+
+228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
+228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
+228: Test timeout computed to be: 1500
+227: 1.68022e+08
+227: 1.73149e+08
+227: 1.05549e+08
+227: 7.20603e+07
+227: 1.41535e+08
+227: 1.08592e+08
+227: 1.11334e+08
+227: 2.05553e+08
+227: 1.54962e+08
+227: 8.08231e+07
+227: 5.61421e+07
+227: 1.28874e+08
+227: 1.59011e+08
+227: 8.69902e+07
+227: 1.31367e+08
+227: 2.27389e+08
+227: 1.60289e+08
+227: 7.79813e+07
+227: 1.61001e+08
+227: 2.07599e+08
+227: 2.24432e+08
+227: 1.39725e+08
+227: 2.42614e+08
+227: 1.77578e+08
+227: 1.05908e+08
+227: 9.06742e+07
+227: 1.8087e+08
+227: 1.98182e+08
+227: 2.03052e+08
+227: 1.7673e+08
+227: 9.32798e+07
+227: 1.37969e+08
+227: 1.83778e+08
+227: 2.1228e+08
+227: 5.06157e+07
+227: 1.566e+08
+227: 2.37142e+08
+227: 1.49345e+08
+227: 7.05819e+07
+227: 1.71633e+08
+227: 1.96817e+08
+227: 2.18246e+08
+227: 9.49496e+07
+227: 2.25618e+08
+227: 1.30219e+08
+187/235 Test #227: testMatCalc ............................   Passed    0.01 sec
+test 229
+        Start 229: testSimDivPickers
+
+229: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers
+229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
+229: Test timeout computed to be: 1500
+229: [06:35:00] -------------------------------------
+229: [06:35:00] Testing github issue 1421: MaxMinPicker picking non-existent element.
+229: [06:35:00] Done
+229: [06:35:00] -------------------------------------
+229: [06:35:00] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
+229: [06:35:00] Done
+188/235 Test #229: testSimDivPickers ......................   Passed    0.01 sec
+test 230
+        Start 230: pickersTestsCatch
+
+230: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
+230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
+230: Test timeout computed to be: 1500
+218: .......
+218: ----------------------------------------------------------------------
+218: Ran 7 tests in 0.022s
+218: 
+218: OK
+219: Randomness seeded to: 2997988780
+219: ===============================================================================
+219: All tests passed (486 assertions in 10 test cases)
+219: 
+206: [06:35:00] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+189/235 Test #219: generalizedSubstructCatch ..............   Passed    0.37 sec
+test 231
+        Start 231: pySimDivPickers
+
+231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
+231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap
+231: Test timeout computed to be: 1500
+190/235 Test #218: pyAbbreviations ........................   Passed    0.39 sec
+test 232
+        Start 232: pyRanker
+
+232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
+232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap
+232: Test timeout computed to be: 1500
+230: Randomness seeded to: 3369893631
+230: ===============================================================================
+230: All tests passed (21267 assertions in 1 test case)
+230: 
+191/235 Test #230: pickersTestsCatch ......................   Passed    0.12 sec
+test 233
+        Start 233: testChemicalFeatures
+
+233: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
+233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures
+233: Test timeout computed to be: 1500
+163: [06:35:00] The provided InitialSeed is not an MCS and will be ignored
+117: =>start test GETAWAY custom
+117: [06:35:01] test on : 365 molecules done
+192/235 Test #202: molStandardizeTest .....................   Passed    2.53 sec
+test 234
+        Start 234: pyFeatures
+
+234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
+234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap
+234: Test timeout computed to be: 1500
+193/235 Test #117: testRDFcustom ..........................   Passed    6.57 sec
+test 235
+        Start 235: pythonProjectTests
+
+235: Test command: /usr/bin/python3 "-m" "pytest"
+235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
+235: Test timeout computed to be: 1500
+150: ***********************************************************
+150: Testing O3AAlign
+150: 	---------------------------------
+150: 	 testMMFFO3A 
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A 
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A multithreading
+150: 
+150: generating reference data
+233: -----------------------------------------
+233: Test1
+233: Done
+194/235 Test #233: testChemicalFeatures ...................   Passed    1.50 sec
+148: .[06:35:01] Molecule does not have explicit Hs. Consider calling AddHs()
+209: Randomness seeded to: 3099089049
+209:  * - * - * - * m1
+209:  * - * - * - * m2
+209:  * - * - * - * m1
+209:  * - * - * - * m2
+220: .......
+220: ----------------------------------------------------------------------
+220: Ran 7 tests in 1.723s
+220: 
+220: OK
+160: file testGithub_7739_1.svg gave hash 3358510977U not the expected 2615562225U
+209: [06:35:01] Can't kekulize mol.  Unkekulized atoms: 3 7
+209: [06:35:01] Can't kekulize mol.  Unkekulized atoms: 3 8
+195/235 Test #220: pyGeneralizedSubstruct .................   Passed    2.06 sec
+160: file testGithub_7739_3.svg gave hash 176211825U not the expected 1037942338U
+209: [06:35:01] Can't kekulize mol.  Unkekulized atoms: 2 3 4
+160: file testGithub_7739_4.svg gave hash 3309264286U not the expected 3549083171U
+146: validating reference data
+160: [06:35:01] 
+160: 
+160: ****
+160: Pre-condition Violation
+160: 
+160: Violation occurred on line 206 in file ./Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+160: Failed Expression: atomIdx < atCds_.size() && atomIdx < atomLabels_.size()
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::calcSymbolEllipse(unsigned int, RDGeom::Point2D&, double&, double&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeAtomHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x000056389D9FEDA5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x000056389DAE08C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x000056389DAE13E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x000056389DAE1860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x000056389DAB3403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x000056389DAB376C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x000056389D9F75DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007F3CFEC33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+160: 17# 0x000056389D9F7621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: [06:35:01] 
+160: 
+160: ****
+160: Range Error
+160: idx
+160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
+160: Failed Expression: 2 < 0
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x000056389D9FE512 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x000056389DAE08C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x000056389DAE13E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x000056389DAE1860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x000056389DAB3403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x000056389DAB376C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x000056389D9F75DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007F3CFEC33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+160: 17# 0x000056389D9F7621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: [06:35:01] 
+160: 
+160: ****
+160: Range Error
+160: idx
+160: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
+160: Failed Expression: 0 < 0
+160: ----------
+160: Stacktrace:
+160:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+160:  2# RDKit::ROMol::getBondWithIdx(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+160:  3# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::makeBondHighlights(std::vector<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> >, std::allocator<std::unique_ptr<RDKit::MolDraw2D_detail::DrawShape, std::default_delete<RDKit::MolDraw2D_detail::DrawShape> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  4# RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::extractMCHighlights() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
+160:  8# 0x000056389D9FEE78 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x000056389DAE08C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x000056389DAE13E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x000056389DAE1860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x000056389DAB3403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x000056389DAB376C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x000056389D9F75DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007F3CFEC33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+160: 17# 0x000056389D9F7621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: ----------
+160: ****
+160: 
+160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
+231: [06:35:02] the useCache argument is deprecated and ignored
+232: ..[06:35:02] 
+232: 
+232: ****
+232: Invariant Violation
+232: Can't rank more bits than the ensemble size
+232: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp
+232: Failed Expression: num <= dp_maskBits->getNumOnBits()
+232: ----------
+232: Stacktrace:
+232:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+232:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+232:  2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitInfoTheory.so.1
+232:  3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
+232:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
+232:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  6# 0x00007F3034DB862C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232: 13# 0x00007F3034DB53C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232: 14# _PyObject_MakeTpCall in /usr/bin/python3
+232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 16# 0x00000000005BEE79 in /usr/bin/python3
+232: 17# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 18# 0x0000000000547080 in /usr/bin/python3
+232: 19# 0x00000000006AB720 in /usr/bin/python3
+232: 20# _PyObject_MakeTpCall in /usr/bin/python3
+232: 21# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 22# 0x00000000005BEE79 in /usr/bin/python3
+232: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 24# 0x0000000000547080 in /usr/bin/python3
+232: 25# 0x00000000006AB720 in /usr/bin/python3
+232: 26# _PyObject_MakeTpCall in /usr/bin/python3
+232: 27# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 28# 0x00000000005BEE79 in /usr/bin/python3
+232: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 30# 0x0000000000547080 in /usr/bin/python3
+232: 31# 0x00000000006AB720 in /usr/bin/python3
+232: 32# _PyObject_MakeTpCall in /usr/bin/python3
+232: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 34# 0x000000000059582E in /usr/bin/python3
+232: 35# _PyObject_MakeTpCall in /usr/bin/python3
+232: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 37# PyEval_EvalCode in /usr/bin/python3
+232: 38# 0x000000000066A861 in /usr/bin/python3
+232: 39# 0x000000000066670C in /usr/bin/python3
+232: 40# 0x000000000067F713 in /usr/bin/python3
+232: 41# 0x000000000067ECE3 in /usr/bin/python3
+232: 42# 0x000000000067EB1E in /usr/bin/python3
+232: 43# Py_RunMain in /usr/bin/python3
+232: 44# Py_BytesMain in /usr/bin/python3
+232: 45# 0x00007F303653BCA8 in /lib/x86_64-linux-gnu/libc.so.6
+232: 46# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+232: 47# _start in /usr/bin/python3
+232: ----------
+232: ****
+232: 
+232: ...
+232: ----------------------------------------------------------------------
+232: Ran 5 tests in 0.023s
+232: 
+232: OK
+234: ..
+234: ----------------------------------------------------------------------
+234: Ran 2 tests in 0.001s
+234: 
+234: OK
+234: Testing ChemicalFeatures Wrapper code:
+196/235 Test #232: pyRanker ...............................   Passed    1.81 sec
+197/235 Test #234: pyFeatures .............................   Passed    0.28 sec
+206: [06:35:02] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+160: ===============================================================================
+160: All tests passed (6853 assertions in 115 test cases)
+160: 
+198/235 Test #160: moldraw2DTestCatch .....................   Passed    5.97 sec
+231: ...[06:35:02] the useCache argument is deprecated and ignored
+231: [06:35:02] the useCache argument is deprecated and ignored
+231: .[06:35:02] the useCache argument is deprecated and ignored
+206: [06:35:02] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+185: iterative
+211: .....[06:35:02] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
+224: .......
+224: ----------------------------------------------------------------------
+224: Ran 7 tests in 0.106s
+224: 
+224: OK
+224: Testing MIF wrapper
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test unfolded version of RDKFP   
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Test bitinfo of RDKFP   
+128:    562:  [ 2 ], 
+128:    709:  [ 0 1 ], 
+128:    1118:  [ 0 1 2 ], 
+128:    1183:  [ 1 2 ], 
+128:    1233:  [ 0 1 2 ], 
+128:    1308:  [ 0 ],  [ 1 ], 
+128:    1339:  [ 2 ], 
+128:    1728:  [ 1 2 ], 
+128:    1772:  [ 0 ],  [ 1 ], 
+128:    1813:  [ 0 1 ], 
+128:   ------------ 
+128: [06:35:02] -------------------------------------
+128: [06:35:02]     Single atoms setting radius 1 bits in Morgan fingerprints  
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #879: Pattern fingerprint should set bits for single-atom fragments.
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use AtomPairGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #2115: BitInfo not complete for RDKFingerprint
+128: [06:35:02]   done
+128: [06:35:02] -------------------------------------
+128: [06:35:02] Github #3723: Fingerprint crash for mols with Zero order bonds
+128: [06:35:02]   done
+199/235 Test #128: testFingerprints .......................   Passed    6.83 sec
+200/235 Test #224: pyMIF ..................................   Passed    2.30 sec
+211: [06:35:02] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+228: .....
+228: ----------------------------------------------------------------------
+228: Ran 5 tests in 0.351s
+228: 
+228: OK
+222: ..
+222: ----------------------------------------------------------------------
+222: Ran 2 tests in 0.222s
+222: 
+222: OK
+201/235 Test #228: pyMatCalc ..............................   Passed    2.29 sec
+206: [06:35:02] Tautomer enumeration stopped at 75 tautomers: canceled
+206: Enumeration was canceled due to timeout (50 ms)
+212: Randomness seeded to: 855288837
+212: ===============================================================================
+212: All tests passed (273 assertions in 19 test cases)
+212: 
+202/235 Test #212: testScaffoldNetwork ....................   Passed    2.87 sec
+203/235 Test #222: pyMolProcessing ........................   Passed    2.46 sec
+211: .[06:35:02] Tautomer enumeration stopped at 53 tautomers: canceled
+211: Enumeration was canceled due to timeout (50 ms)
+194: ....................[06:35:02] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:02] Explicit valence for atom # 6 F, 2, is greater than permitted
+194: [06:35:02] Can't kekulize mol.  Unkekulized atoms: 3 4 5
+150: processing
+150:  launch :0
+150:  launch :1
+150:  launch :2
+150:  launch :3
+171: Randomness seeded to: 3004406873
+171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
+185: bulk
+235: ============================= test session starts ==============================
+235: platform linux -- Python 3.13.2, pytest-8.3.4, pluggy-1.5.0
+235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
+235: configfile: pytest.ini
+235: collected 12 items
+235: 
+194: .................[06:35:03] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+206: 375
+206: Enumeration has completed
+206: [06:35:03] Tautomer enumeration stopped at 73 tautomers: canceled
+125: Warning: Atom Count for residue GLU5A does not match expected count
+125: Warning: Atom Count for residue ASN39A does not match expected count
+125: Warning: Atom Count for residue GLU53A does not match expected count
+125: Warning: Atom Count for residue ARG64A does not match expected count
+125: Warning: Atom Count for residue LYS80A does not match expected count
+125: Warning: Atom Count for residue GLU150A does not match expected count
+125: Warning: Atom Count for residue ASN157A does not match expected count
+126: Warning: Atom Count for residue GLU5A does not match expected count
+126: Warning: Atom Count for residue ASN39A does not match expected count
+126: Warning: Atom Count for residue GLU53A does not match expected count
+126: Warning: Atom Count for residue ARG64A does not match expected count
+126: Warning: Atom Count for residue LYS80A does not match expected count
+125: ===============================================================================
+125: All tests passed (515 assertions in 10 test cases)
+125: 
+126: Warning: Atom Count for residue GLU150A does not match expected count
+126: Warning: Atom Count for residue ASN157A does not match expected count
+204/235 Test #125: descriptorsTestCatch ...................   Passed    7.85 sec
+126: .[06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: .[06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: ..[06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...[06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: [06:35:03] DEPRECATION WARNING: please use MorganGenerator
+126: ....[06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: ....[06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: [06:35:03] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ..[06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: .[06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [06:35:03] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...
+126: ----------------------------------------------------------------------
+126: Ran 31 tests in 7.535s
+126: 
+126: OK
+126: exactmw 78.046950192
+126: amw 78.11399999999999
+126: lipinskiHBA 0.0
+126: lipinskiHBD 0.0
+126: NumRotatableBonds 0.0
+126: NumHBD 0.0
+126: NumHBA 0.0
+126: NumHeavyAtoms 6.0
+126: NumAtoms 12.0
+126: NumHeteroatoms 0.0
+126: NumAmideBonds 0.0
+126: FractionCSP3 0.0
+126: NumRings 1.0
+126: NumAromaticRings 1.0
+126: NumAliphaticRings 0.0
+126: NumSaturatedRings 0.0
+126: NumHeterocycles 0.0
+126: NumAromaticHeterocycles 0.0
+126: NumSaturatedHeterocycles 0.0
+126: NumAliphaticHeterocycles 0.0
+126: NumSpiroAtoms 0.0
+126: NumBridgeheadAtoms 0.0
+126: NumAtomStereoCenters 0.0
+126: NumUnspecifiedAtomStereoCenters 0.0
+126: labuteASA 37.43140311949697
+126: tpsa 0.0
+126: CrippenClogP 1.6866
+126: CrippenMR 26.441999999999993
+126: chi0v 3.464101615137755
+126: chi1v 2.0000000000000004
+126: chi2v 0.6666666666666671
+126: chi3v 0.6666666666666671
+126: chi4v 0.38490017945975075
+126: chi0n 3.464101615137755
+126: chi1n 2.0000000000000004
+126: chi2n 0.6666666666666671
+126: chi3n 0.6666666666666671
+126: chi4n 0.38490017945975075
+126: hallKierAlpha -0.78
+126: kappa1 3.4115708812260532
+126: kappa2 1.6057694396735218
+126: kappa3 0.5823992601400448
+126: Phi 0.9130327103921437
+126: CustomNumAtoms 6.0
+126: exactmw 78.046950192
+126: lipinskiHBA 0.0
+205/235 Test #126: pyMolDescriptors .......................   Passed    7.98 sec
+231: .......
+231: ----------------------------------------------------------------------
+231: Ran 11 tests in 1.469s
+231: 
+231: OK
+206/235 Test #231: pySimDivPickers ........................   Passed    3.27 sec
+146: processing
+146:  launch :0
+146:  launch :1
+146:  launch :2
+146:  launch :3
+206: CN=c1cc[nH]cn1
+206: CN=c1ccnc[nH]1
+206: CNc1ccncn1
+206: res: CNc1ccncn1
+206: CN=c1cccc[nH]1
+206: CNc1ccccn1
+206: res: CNc1ccccn1
+211: Enumeration has completed
+221: Randomness seeded to: 2308731582
+221: ===============================================================================
+221: All tests passed (203 assertions in 1 test case)
+221: 
+207/235 Test #221: testMolProcessing ......................   Passed    4.36 sec
+211: [06:35:04] Tautomer enumeration stopped at 32 tautomers: canceled
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+182: [06:35:04] -------------------------------------
+182: [06:35:04]    testing PatternHolder
+29: All 191 tests passed
+208/235 Test #206: molTautomerTest ........................   Passed    5.09 sec
+211: ..........[06:35:04] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [06:35:04] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [06:35:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+211: [06:35:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
+182: [06:35:04] -------------------------------------
+182: [06:35:04]    testing TautomerPatternHolder
+182: [06:35:04] -------------------------------------
+182: [06:35:04]    testSegFaultInHolder
+182: [06:35:04] SMILES Parse Error: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: SMILES Parse Error: [06:35:04] SMILES Parse Error: check for mistakes around position syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: [06:35:04] ^
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: SMILES Parse Error: [06:35:04] dsafsdf1:
+182: [06:35:04] dsafsdf[06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: 1SMILES:dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf
+182: [06:35:04] ^[06:35:04] 1[06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdfSMILES Parse Error: 1
+182: syntax error while parsing: dsafsdf'SMILES Parse Error: 
+182: 
+182: SMILES Parse Error: 
+182: syntax error[06:35:04] SMILES Parse Error: 
+182:  Parse Error: [06:35:04] ^Failed parsing SMILES 'dsafsdf'[06:35:04] :syntax error
+182:  while parsing: [06:35:04] : while parsing: dsafsdf[06:35:04] Failed parsing SMILES 'dsafsdf'syntax errorSMILES Parse Error: check for mistakes around position  for input: ' while parsing: [06:35:04] 
+182: dsafsdf
+182: 
+182: [06:35:04] [06:35:04] dsafsdfSMILES Parse Error: check for mistakes around position 1
+182: 
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 1:
+182: dsafsdf
+182:  for input: 'dsafsdf
+182: [06:35:04] dsafsdf^'SMILES Parse Error: check for mistakes around position [06:35:04] 1:SMILES Parse Error: check for mistakes around position '1:
+182: 
+182: 
+182: :
+182: [06:35:04] [06:35:04] dsafsdf[06:35:04] 
+182: SMILES
+182: SMILESSMILES Parse Error: check for mistakes around position  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[06:35:04] dsafsdf[06:35:04] [06:35:04] dsafsdf1[06:35:04] dsafsdf
+182:  Parse Error: SMILES
+182: [06:35:04] [06:35:04] :' Parse Error: 
+182: Failed parsing SMILES 'dsafsdf'^
+182: 
+182: 
+182: [06:35:04] ^
+182: ^
+182: [06:35:04] dsafsdf
+182: [06:35:04] [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'SMILES Parse Error: dsafsdf' for input: 'Failed parsing SMILES 'dsafsdf'dsafsdf for input: '
+182: [06:35:04] 
+182: [06:35:04] ^dsafsdfdsafsdf^
+182: 
+182: [06:35:04] '^
+182: 
+182: [06:35:04] SMILES[06:35:04] syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1^[06:35:04] 
+182: :SMILES
+182: [06:35:04] 
+182:  Parse Error: [06:35:04] [06:35:04] SMILES Parse Error:  Parse Error: SMILES Parse Error: syntax errordsafsdf while parsing: 
+182: [06:35:04] 
+182: Failed parsing SMILES 'dsafsdf'[06:35:04] dsafsdfFailed parsing SMILES 'dsafsdf'[06:35:04] SMILES Parse Error:  for input: 'dsafsdfSMILES'
+182: Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf' for input: 'SMILES Parse Error:  Parse Error:  for input: ' for input: 'dsafsdf
+182: Failed parsing SMILES 'dsafsdf'dsafsdf for input: ''[06:35:04] dsafsdfFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: ^
+182: '
+182: '
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'^dsafsdf
+182: '
+182: [06:35:04] 
+182: SMILES Parse Error: [06:35:04] [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'syntax error while parsing: SMILESdsafsdf
+182:  Parse Error: dsafsdf'
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[06:35:04] SMILES Parse Error: syntax error
+182:  while parsing: dsafsdf[06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: 
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] dsafsdf
+182: [06:35:04] SMILES Parse Error:  for input: 'dsafsdf'
+182: [06:35:04] ^
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax errorSMILES Parse Error: syntax error[06:35:04] [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: 
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: syntax error while parsing: dsafsdfdsafsdf'[06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf while parsing: 
+182: SMILES Parse Error: check for mistakes around position 1dsafsdf
+182: 
+182: :
+182: [06:35:04] dsafsdf
+182: 
+182: [06:35:04] [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] [06:35:04] dsafsdf
+182: dsafsdfSMILES Parse Error: check for mistakes around position 1^1:
+182: :
+182: [06:35:04] [06:35:04] 
+182: ^^[06:35:04] 
+182: dsafsdf[06:35:04] 
+182: 
+182: 
+182: [06:35:04] dsafsdf[06:35:04] 
+182: [06:35:04] [06:35:04] SMILESSMILES Parse Error: SMILES[06:35:04] Failed parsing SMILES 'dsafsdf' for input: ' Parse Error: ^
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf^
+182: dsafsdf'
+182:  Parse Error: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf''
+182: 
+182:  for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position SMILESdsafsdfSMILES Parse Error: syntax error while parsing: [06:35:04] dsafsdf
+182: 
+182: 1: Parse Error: 
+182: [06:35:04] [06:35:04] dsafsdfFailed parsing SMILES 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: check for mistakes around position SMILES Parse Error: check for mistakes around position 1[06:35:04] 1:SMILES Parse Error: check for mistakes around position  for input: 'SMILES Parse Error: [06:35:04] dsafsdfSMILES Parse Error: check for mistakes around position :dsafsdf1
+182: '
+182: 
+182: syntax error while parsing: 
+182: dsafsdf:
+182: [06:35:04] 
+182: [06:35:04] [06:35:04] 1dsafsdf
+182: dsafsdf[06:35:04] 
+182: ^[06:35:04] ^[06:35:04] :
+182: 
+182: ^dsafsdf
+182: 
+182: [06:35:04] dsafsdf
+182: [06:35:04] [06:35:04] ^[06:35:04] [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'
+182:  for input: '[06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: dsafsdf'
+182: ^
+182: SMILES Parse Error: [06:35:04] dsafsdf
+182: [06:35:04] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf''
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: ^
+182: 
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] [06:35:04] SMILES Parse Error: [06:35:04] SMILES Parse Error: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: SMILES Parse Error: syntax error[06:35:04] SMILES Parse Error: syntax error[06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: SMILES Parse Error: [06:35:04] SMILES Parse Error: syntax error while parsing: SMILES Parse Error: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: syntax error[06:35:04] Failed parsing SMILES 'dsafsdf'[06:35:04] syntax errorSMILES Parse Error: syntax error while parsing: [06:35:04]  while parsing: dsafsdf[06:35:04] [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: SMILES Parse Error: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: SMILES Parse Error: syntax error while parsing: dsafsdfsyntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf[06:35:04] 
+182: [06:35:04] ^
+182: syntax error[06:35:04] [06:35:04] SMILES while parsing:  while parsing: [06:35:04] SMILES Parse Error: syntax errordsafsdfdsafsdf while parsing: SMILES Parse Error: [06:35:04] syntax error while parsing: SMILES Parse Error: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position SMILES Parse Error: 1syntax errorSMILES Parse Error: SMILES Parse Error: [06:35:04] syntax error while parsing:  while parsing: 
+182: dsafsdf for input: 'SMILES Parse Error: SMILES Parse Error: dsafsdf Parse Error: syntax error while parsing: syntax errordsafsdf while parsing: SMILES Parse Error: 
+182: syntax error while parsing: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfdsafsdfsyntax errordsafsdfdsafsdf
+182: 
+182: [06:35:04]  while parsing: syntax errordsafsdf
+182: SMILES Parse Error: dsafsdfsyntax error while parsing: syntax error[06:35:04] SMILES Parse Error: syntax error while parsing:  while parsing: 
+182:  while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 
+182: 1:
+182: :[06:35:04] dsafsdfdsafsdf
+182: [06:35:04] ^
+182: 
+182: [06:35:04] 
+182: 
+182:  while parsing: dsafsdf[06:35:04] [06:35:04] SMILES Parse Error: 
+182: 
+182: [06:35:04] [06:35:04] dsafsdfSMILES Parse Error: check for mistakes around position '1:
+182: SMILES Parse Error: check for mistakes around position [06:35:04] dsafsdfsyntax error[06:35:04] SMILES Parse Error: check for mistakes around position SMILES Parse Error: check for mistakes around position 
+182: [06:35:04]  while parsing: [06:35:04] [06:35:04] 
+182: '
+182: [06:35:04] 1dsafsdfsyntax error
+182:  while parsing: dsafsdf
+182: [06:35:04] 1SMILES Parse Error: check for mistakes around position SMILES Parse Error: check for mistakes around position [06:35:04] dsafsdf[06:35:04] SMILES Parse Error: check for mistakes around position  while parsing: SMILES Parse Error: check for mistakes around position dsafsdf1
+182: dsafsdf[06:35:04] 1:[06:35:04] 
+182: 
+182: dsafsdf1[06:35:04] dsafsdfdsafsdfSMILES Parse Error: check for mistakes around position SMILES Parse Error: 1[06:35:04] 1:
+182: [06:35:04] :
+182: [06:35:04] 
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] [06:35:04] SMILES Parse Error: SMILES Parse Error: [06:35:04] syntax error
+182: :^
+182: SMILES Parse Error: check for mistakes around position 1SMILES Parse Error: check for mistakes around position :
+182: 1syntax error[06:35:04]  while parsing: ^
+182: 
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^1[06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: 
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfSMILES Parse Error: check for mistakes around position [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: :
+182: dsafsdf[06:35:04] 
+182: ::
+182: [06:35:04] 
+182: 
+182: :
+182: [06:35:04] dsafsdf while parsing: 
+182: dsafsdf[06:35:04] 
+182: [06:35:04] [06:35:04] SMILES Parse Error: check for mistakes around position :[06:35:04] 
+182: '[06:35:04] dsafsdf
+182: [06:35:04] syntax error while parsing: dsafsdf
+182: 
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [06:35:04] dsafsdf[06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: dsafsdf[06:35:04] 
+182: dsafsdf
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: dsafsdf
+182: 
+182: [06:35:04] [06:35:04] [06:35:04] dsafsdf
+182: SMILES Parse Error: [06:35:04] 1^
+182: :
+182: [06:35:04] [06:35:04] dsafsdf[06:35:04] [06:35:04] 
+182: SMILES Parse Error: check for mistakes around position 1:[06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: SMILES Parse Error: check for mistakes around position 1
+182: ^Failed parsing SMILES 'dsafsdf'^
+182: SMILES[06:35:04] SMILES Parse Error: [06:35:04] syntax error while parsing: dsafsdf
+182: SMILES Parse Error: check for mistakes around position :SMILES Parse Error: [06:35:04] syntax error while parsing: dsafsdf^[06:35:04] SMILES Parse Error: check for mistakes around position ^
+182: 1[06:35:04] [06:35:04] 
+182: 1 Parse Error: ^ for input: '
+182: :SMILES
+182: [06:35:04] 
+182: dsafsdf[06:35:04] [06:35:04] 
+182: dsafsdfdsafsdf1 Parse Error: :
+182: 
+182: 
+182: ^Failed parsing SMILES 'dsafsdf'[06:35:04] [06:35:04] :^SMILES Parse Error: check for mistakes around position [06:35:04] dsafsdf'
+182:  for input: '[06:35:04] dsafsdf
+182: [06:35:04] dsafsdf[06:35:04] 1dsafsdf
+182: SMILES Parse Error: check for mistakes around position 
+182: [06:35:04] dsafsdf[06:35:04] 
+182: 
+182: ^[06:35:04] SMILES Parse Error: 
+182: SMILES Parse Error: :Failed parsing SMILES 'dsafsdf'1
+182: :[06:35:04] 
+182: ^[06:35:04] [06:35:04] 'SMILES Parse Error: 
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: syntax error while parsing: dsafsdf
+182: Failed parsing SMILES 'dsafsdf'
+182: [06:35:04] 
+182:  for input: '[06:35:04] dsafsdf[06:35:04] 'SMILES Parse Error: SMILESsyntax error
+182:  for input: '[06:35:04] 
+182: dsafsdf[06:35:04] SMILES Parse Error: dsafsdf
+182:  Parse Error: [06:35:04] Failed parsing SMILES 'dsafsdf'
+182: [06:35:04] [06:35:04] dsafsdf'
+182: [06:35:04] ^^^
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182:  for input: '[06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES
+182: [06:35:04] ^
+182: Failed parsing SMILES 'dsafsdf'SMILES[06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'dsafsdf Parse Error: 
+182: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: check for mistakes around position  for input: '[06:35:04] [06:35:04] SMILES[06:35:04]  for input: ' Parse Error: dsafsdfFailed parsing SMILES 'dsafsdf''[06:35:04] 
+182: SMILES1 Parse Error: :' for input: '^
+182:  Parse Error: SMILES
+182: Failed parsing SMILES 'dsafsdf' for input: '
+182: ^
+182: dsafsdf[06:35:04] 'Failed parsing SMILES 'dsafsdf'
+182: [06:35:04]  for input: '
+182: dsafsdfSMILES
+182:  Parse Error: [06:35:04]  for input: 'SMILESdsafsdfdsafsdf[06:35:04]  Parse Error: SMILES[06:35:04]  Parse Error: SMILESdsafsdfFailed parsing SMILES 'dsafsdf''
+182:  for input: ' while parsing: Failed parsing SMILES 'dsafsdf'dsafsdf for input: 'dsafsdf' Parse Error: [06:35:04] '''[06:35:04] 
+182: 
+182: Failed parsing SMILES 'dsafsdf'
+182: syntax error
+182: 
+182: SMILES[06:35:04]  Parse Error: Failed parsing SMILES 'dsafsdf'
+182: dsafsdfSMILES' Parse Error: Failed parsing SMILES 'dsafsdf' Parse Error: 
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] 1:
+182: SMILES Parse Error: check for mistakes around position [06:35:04] [06:35:04] dsafsdf
+182: Failed parsing SMILES 'dsafsdf' for input: '[06:35:04] ^[06:35:04] dsafsdfdsafsdfdsafsdf[06:35:04] SMILES Parse Error: check for mistakes around position [06:35:04] '^
+182: 
+182: SMILES Parse Error: 1SMILES Parse Error: 
+182: Failed parsing SMILES 'dsafsdf' for input: ':dsafsdf1[06:35:04] 
+182: ^
+182: [06:35:04] [06:35:04] syntax error[06:35:04] syntax error':dsafsdf
+182: [06:35:04]  while parsing: 
+182: SMILES Parse Error: [06:35:04] Failed parsing SMILES 'dsafsdf' while parsing:  for input: 'dsafsdfdsafsdfSMILESdsafsdf
+182: SMILES Parse Error: check for mistakes around position 
+182: SMILES[06:35:04]  Parse Error: SMILES Parse Error: check for mistakes around position Failed parsing SMILES 'dsafsdf' for input: ''dsafsdf
+182: 1 for input: '
+182: '[06:35:04] 
+182: 1dsafsdf
+182: ::
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf
+182: dsafsdf[06:35:04] dsafsdf
+182: 
+182: [06:35:04] [06:35:04] [06:35:04] '^dsafsdf
+182: '
+182: 
+182: 
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[06:35:04]  for input: 'SMILES Parse Error: check for mistakes around position ^1:
+182: [06:35:04] ^
+182: dsafsdf[06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf''[06:35:04] 
+182: SMILES
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: '
+182: [06:35:04]  for input: 'dsafsdf^'
+182: 
+182: [06:35:04] [06:35:04] SMILES Parse Error: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'dsafsdf'
+182: [06:35:04] SMILES Parse Error:  for input: 'dsafsdf
+182: syntax error while parsing: syntax errordsafsdf while parsing: dsafsdf[06:35:04] dsafsdf
+182: '
+182: [06:35:04] SMILES[06:35:04]  Parse Error: SMILES Parse Error: check for mistakes around position ^1
+182: :
+182: [06:35:04] 
+182: SMILES Parse Error: check for mistakes around position 1:Failed parsing SMILES 'dsafsdf' for input: '[06:35:04] dsafsdf
+182: 
+182: [06:35:04] [06:35:04] [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: ^dsafsdfdsafsdf'
+182: 
+182: 
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182:  while parsing:  for input: 'SMILES Parse Error: syntax error while parsing: SMILES Parse Error: [06:35:04] syntax error while parsing: [06:35:04] dsafsdf
+182: dsafsdfSMILES Parse Error: check for mistakes around position SMILES Parse Error: 1dsafsdf:
+182: [06:35:04] dsafsdf
+182: 'syntax error while parsing: dsafsdf
+182: [06:35:04] [06:35:04] [06:35:04] dsafsdf
+182: SMILES Parse Error: check for mistakes around position 
+182: SMILES Parse Error: check for mistakes around position [06:35:04] 11
+182: SMILES Parse Error: check for mistakes around position :[06:35:04] :SMILES Parse Error: check for mistakes around position 
+182: ^[06:35:04] 11
+182: 
+182: :
+182: [06:35:04] [06:35:04] dsafsdfdsafsdfdsafsdf:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: 
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [06:35:04] ^
+182: [06:35:04] [06:35:04] SMILESSMILES Parse Error:  for input: 'dsafsdf
+182:  Parse Error: Failed parsing SMILES 'dsafsdf'syntax error while parsing:  for input: ''dsafsdf'
+182: 
+182: [06:35:04] dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] ^
+182: dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '
+182: dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:04] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [06:35:04] SMILES Parse Error: check for mistakes around position 1:
+182: [06:35:04] dsafsdf
+182: [06:35:04] ^
+182: [06:35:04] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [06:35:05] -------------------------------------
+182: [06:35:05]    Results do not depend on numThreads 
+164: ........................................[06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: .[06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: .[06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: .[06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: [06:35:05] The provided InitialSeed is not an MCS and will be ignored
+164: .................
+164: ----------------------------------------------------------------------
+164: Ran 60 tests in 8.665s
+164: 
+164: OK
+209/235 Test #164: pyFMCS .................................   Passed    9.13 sec
+173: [06:35:05] Building the fingerprints may take some time.
+75: [06:35:05] Finished: testSmiCorrectness()
+75: [06:35:05] -----------------------------------------
+75: 
+75: [06:35:05] 
+75: -----------------------------------------
+75: [06:35:05] Spurious data before the first property will be ignored
+75: [06:35:05] Property <ID> will be truncated after the first blank line
+75: [06:35:05] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+75: [06:35:05] Property <ID> will be truncated after the first blank line
+185: bulk, no symmetry
+210/235 Test #198: pyTestThreads ..........................   Passed    7.42 sec
+75: [06:35:06] Finished: testSDCorrectness()
+75: [06:35:06] -----------------------------------------
+75: 
+211/235 Test  #75: testMultithreadedMolSupplier ...........   Passed   11.01 sec
+159:  Done
+159:  ----------------- Test Github #781: Rendering single-atom molecules
+159:  Done
+159:  ----------------- Test 3
+159: file test3_1.png gave hash 4245589364U not the expected 675908852U
+159: file test3_2.png gave hash 3367333300U not the expected 2452584093U
+159: file test3_3.png gave hash 2996581333U not the expected 1907006999U
+159: file test3_4.png gave hash 3977004105U not the expected 2305641511U
+159: file test3_5.png gave hash 3967750587U not the expected 3842605920U
+159: file test3_6.png gave hash 691593501U not the expected 662622011U
+159: file test3_7.png gave hash 1614455692U not the expected 469729412U
+159:  Done
+159:  ----------------- Test Github774: upside-down drawings
+159: file test774_1.png gave hash 383494043U not the expected 428322245U
+159: file test774_2.png gave hash 2504225659U not the expected 4095288521U
+159:  Done
+159:  ----------------- Test 9 (molecule legends)
+159: file test9_1.svg gave hash 923579170U not the expected 1484349178U
+159:  Done
+159:  ----------------- Test Github852: Lines used to wedge bonds are too thick
+159: file test852_1.png gave hash 2064209894U not the expected 271517011U
+159: file test852_2.png gave hash 869339719U not the expected 967452082U
+159: ----------------
+159: ----------------
+159: ----------------
+159: ----------------
+159:  Done
+159:  ----------------- Test Github860: Atom symbols in wrong order if bond comes from right
+159: file test860_1.png gave hash 1884717540U not the expected 2835587240U
+159: file test860_2.png gave hash 3946798084U not the expected 1116015475U
+159: file test860_3.png gave hash 2321130724U not the expected 1872467868U
+159:  Done
+159:  ----------------- Test Github #910: ugly coordinates generated for peptide chains
+159:  Done
+159:  ----------------- Test Github #932: mistake in SVG for wedged bonds
+159:  Done
+159:  ----------------- Test Github #953: default color should not be cyan
+159:  Done
+159:  ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly
+159:  Done
+159:  ----------------- Test Deuterium, Tritium
+159:  Done
+159:  ----------------- Test crossed bonds
+159:  Done
+159:  ----------------- Testing drawing a second molecule
+159:  Done
+159:  ----------------- Testing drawing a grid of molecules
+159:  Done
+159:  ----------------- Testing drawMolecules
+159: file test12_1.svg gave hash 76786371U not the expected 826649652U
+211: ............[06:35:06] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+211: [06:35:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+211: [06:35:06] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+159:  Done
+159:  ----------------- Test JSON Configuration
+159:  Done
+159:  ----------------- Testing github 1090: escape html characters in SVG output
 176: VS001: PASSED
 176: VS002: PASSED
 176: VS003: PASSED
@@ -33217,1026 +34115,103 @@
 176: VS300: PASSED
 176: Check finished: 0 molecules failed.
 176: Failed: 
-179/235 Test #176: pyCIPLabelsValidation ..................   Passed   13.73 sec
-test 199
-        Start 199: pyTestMultithreadedMolSupplier
-
-199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
-199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-199: Test timeout computed to be: 1500
-185: bulk
-194: ..............[21:52:26] SMARTS Parse Error: syntax error while parsing: fiib
-194: [21:52:26] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
-188: ....................
-188: ----------------------------------------------------------------------
-188: Ran 20 tests in 6.723s
-188: 
-188: OK
-194: ....[21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] Spurious data before the first property will be ignored
-194: [21:52:26] Property <ID> will be truncated after the first blank line
-194: [21:52:26] Property <ID> will be truncated after the first blank line
-194: [21:52:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] Spurious data before the first property will be ignored
-194: [21:52:26] Property <ID> will be truncated after the first blank line
-194: [21:52:26] Property <ID> will be truncated after the first blank line
-194: [21:52:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [21:52:26] ERROR: Problems encountered parsing data fields
-194: [21:52:26] ERROR: moving to the beginning of the next molecule
-194: [21:52:26] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: .[21:52:26] SMILES Parse Error: syntax error while parsing: fail
-194: [21:52:26] SMILES Parse Error: check for mistakes around position 1:
-194: [21:52:26] fail
-194: [21:52:26] ^
-194: [21:52:26] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-194: [21:52:26] ERROR: Smiles parse error on line 2
-194: [21:52:26] ERROR: Cannot create molecule from : 'fail'
-194: >>> This may result in an infinite loop.  It should finish almost instantly
-194: <<< OK, it finished.
-194: ............[21:52:26] Explicit valence for atom # 1 C, 5, is greater than permitted
-180/235 Test #188: pyRGroupDecomposition ..................   Passed    8.01 sec
-test 200
-        Start 200: pyTestPropertyLists
-
-200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
-200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-200: Test timeout computed to be: 1500
-194: ......[21:52:26] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [21:52:26] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [21:52:26] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [21:52:26] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-197: .............
-197: ----------------------------------------------------------------------
-197: Ran 13 tests in 0.104s
-197: 
-197: OK
-197: Testing SubstanceGroups wrapper
-194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
-194: ........[21:52:26] non-ring atom 0 marked aromatic
-194: [21:52:26] non-ring atom 0 marked aromatic
-194: [21:52:26] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x00007F1A06883170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-194: [21:52:26] non-ring atom 0 marked aromatic
-194: [21:52:26] non-ring atom 0 marked aromatic
-194: [21:52:26] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x00007F1A06883170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-199: .s.
-199: ----------------------------------------------------------------------
-199: Ran 3 tests in 0.439s
-199: 
-199: OK (skipped=1)
-199: Testing Smiles and SD MultithreadedMolSupplier
-181/235 Test #197: pyTestSGroups ..........................   Passed    3.22 sec
-test 201
-        Start 201: pyCDXMLTest
-
-201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
-201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-201: Test timeout computed to be: 1500
-194: ...............[21:52:27] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-194: [21:52:27] 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.
-182/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    1.04 sec
-test 202
-        Start 202: molStandardizeTest
-
-202: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
-202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-202: Test timeout computed to be: 1500
-194: ..............[21:52:27] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: [21:52:27] Explicit valence for atom # 1 C, 5, is greater than permitted
-200: [21:52:28] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [21:52:28] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [21:52:28] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .[21:52:28] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [21:52:28] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [21:52:28] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: ...[21:52:28] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [21:52:28] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [21:52:28] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .
-200: ----------------------------------------------------------------------
-200: Ran 5 tests in 0.051s
-200: 
-200: OK
-201: .
-201: ----------------------------------------------------------------------
-201: Ran 1 test in 0.048s
-201: 
-201: OK
-183/235 Test #200: pyTestPropertyLists ....................   Passed    1.58 sec
-test 203
-        Start 203: molNormalizeTest
-
-203: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
-203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-203: Test timeout computed to be: 1500
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-203: [21:52:28] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
-184/235 Test #201: pyCDXMLTest ............................   Passed    1.38 sec
-test 204
-        Start 204: molValidateTest
-
-204: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
-204: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-204: Test timeout computed to be: 1500
-29: All 191 tests passed
-29:   done
-29: -------------------------------------
-29: Unit tests for all MMFF constraint terms.
-29: 10.0003
-204: ERROR: [FeaturesValidation] Query atom 0 is not allowed
-204: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed
-204: ERROR: [FeaturesValidation] Query bond 0 is not allowed
-204: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed
-204: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed
-204: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed
-204: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed
-204: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds.
-204: here
-204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
-204: there
-204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF TorsionConstraint close to 0 degrees.
-29:   done
-29: -------------------------------------
-29: Unit tests for copying MMFF ForceFields.
-185/235 Test #204: molValidateTest ........................   Passed    0.18 sec
-test 205
-        Start 205: molChargeTest
-
-205: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
-205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-205: Test timeout computed to be: 1500
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF butane scan.
-194: ............................[21:52:28]  unable to set wavy bonds for double bonds: 3
-194: .............[21:52:28] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 6 < 5
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-203: [21:52:28] Initializing Normalizer
-203: [21:52:28] Running Normalizer
-203: [21:52:28] Rule applied: BrokenazidetoN=N+=N-
-203: [21:52:28] Initializing Normalizer
-203: [21:52:28] Running Normalizer
-203: [21:52:28] Initializing Normalizer
-203: [21:52:28] Running Normalizer
-186/235 Test #205: molChargeTest ..........................   Passed    0.24 sec
-test 206
-        Start 206: molTautomerTest
-
-206: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
-206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-206: Test timeout computed to be: 1500
-187/235 Test #203: molNormalizeTest .......................   Passed    0.62 sec
-test 207
-        Start 207: molStandardizeSmallTest
-
-207: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
-207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-207: Test timeout computed to be: 1500
-188/235 Test #207: molStandardizeSmallTest ................   Passed    0.15 sec
-test 208
-        Start 208: molFragmentTest
-
-208: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
-208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-208: Test timeout computed to be: 1500
-29:   done
-189/235 Test  #29: testMMFFForceField .....................   Passed   40.49 sec
-test 209
-        Start 209: molStandardizeCatchTest
-
-209: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
-209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-209: Test timeout computed to be: 1500
-190/235 Test #202: molStandardizeTest .....................   Passed    1.96 sec
-test 210
-        Start 210: molStandardizePipelineTest
-
-210: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
-210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-210: Test timeout computed to be: 1500
-208: [21:52:29] SMARTS Parse Error: syntax error while parsing: [Cl
-208: [21:52:29] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
-191/235 Test #208: molFragmentTest ........................   Passed    0.13 sec
-test 211
-        Start 211: pyMolStandardize
-
-211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
-211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
-211: Test timeout computed to be: 1500
-185: bulk, no symmetry
-210: Randomness seeded to: 3731677801
-210: 1 Counts line too short: '' on line4
-210: 1 Could not instantiate a valid molecule from input
-210: 8 Molecule has no atoms
-210: [21:52:29] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: [21:52:29] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 128 An error occurred while preparing the molecule for standardization.
-210: 8 The molecule contains an unknown isotope: 3C
-210: 4 Query atom 0 is not allowed
-210: 4 Bond 0 of aromatic type is not allowed
-210: 4 Bond 1 of aromatic type is not allowed
-210: 4 Bond 2 of aromatic type is not allowed
-210: 4 Bond 3 of aromatic type is not allowed
-210: 4 Bond 5 of aromatic type is not allowed
-210: 4 Bond 6 of aromatic type is not allowed
-210: 4 Bond 2 of dative type is not allowed
-210: 4 Bond 3 of dative type is not allowed
-210: 4 Enhanced stereochemistry features are not allowed
-210: 8 The radical at atom 0 is not allowed
-210: [21:52:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 32 Atom 0 too close to bond 2
-210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
-210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: [21:52:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-209: Randomness seeded to: 2461466391
-209:  * - * - * - * m1
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-209:  * - * - * - * m2
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-209:  * - * - * - * m1
-209:  * - * - * - * m2
-210: 16777216 The representation of some functional groups was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-209: [21:52:29] Can't kekulize mol.  Unkekulized atoms: 3 7
-209: [21:52:29] Can't kekulize mol.  Unkekulized atoms: 3 8
-209: [21:52:29] Can't kekulize mol.  Unkekulized atoms: 2 3 4
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-206: [21:52:29] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The "wavy" style of bond 4 was removed
-210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 2 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 The "wavy" style of bond 4 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 3 was removed
-210: 16777216 The representation of some functional groups was adjusted.
-210: [21:52:30] Can't kekulize mol.  Unkekulized atoms: 2 3 5
-210: ===============================================================================
-210: All tests passed (268 assertions in 5 test cases)
-210: 
-192/235 Test #210: molStandardizePipelineTest .............   Passed    1.02 sec
-test 212
-        Start 212: testScaffoldNetwork
-
-212: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
-212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
-212: Test timeout computed to be: 1500
-211: .....[21:52:30] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-211: [21:52:30] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-206: [21:52:30] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-206: [21:52:30] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-185: [21:52:30] Relabelling existing label
-211: .[21:52:30] Tautomer enumeration stopped at 23 tautomers: canceled
-211: Enumeration was canceled due to timeout (50 ms)
-206: [21:52:30] Tautomer enumeration stopped at 38 tautomers: canceled
-206: Enumeration was canceled due to timeout (50 ms)
-185: Best mapping
-182: [21:52:31] -------------------------------------
-182: [21:52:31]    Results do not depend on numThreads (all same) 
-193/235 Test #185: testRGroupDecomp .......................   Passed   14.33 sec
-test 213
-        Start 213: pyScaffoldNetwork
-
-213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
-213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-213: Test timeout computed to be: 1500
-182: [21:52:31] -------------------------------------
-182: [21:52:31]    testTautomerQueries
-182: [21:52:31] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
-182: [21:52:31] -------------------------------------
-182: [21:52:31]   github3881 recursive smarts with rings 
-194/235 Test #182: substructLibraryTest ...................   Passed   17.87 sec
-test 214
-        Start 214: pyScaffoldNetworkPickling
-
-214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
-214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-214: Test timeout computed to be: 1500
-173: Query 0
-194: ....................[21:52:32] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:32] Explicit valence for atom # 6 F, 2, is greater than permitted
-194: [21:52:32] Can't kekulize mol.  Unkekulized atoms: 3 4 5
-206: 375
-206: Enumeration has completed
-206: [21:52:32] Tautomer enumeration stopped at 52 tautomers: canceled
-213: .......
-213: ----------------------------------------------------------------------
-213: Ran 7 tests in 0.059s
-213: 
-213: OK
-214: .
-214: ----------------------------------------------------------------------
-214: Ran 1 test in 0.019s
-214: 
-214: OK
-195/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    0.57 sec
-test 215
-        Start 215: testMolEnumerator
-
-215: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
-215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator
-215: Test timeout computed to be: 1500
-194: .................[21:52:32] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-196/235 Test #213: pyScaffoldNetwork ......................   Passed    0.93 sec
-test 216
-        Start 216: pyMolEnumerator
-
-216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
-216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
-216: Test timeout computed to be: 1500
-215: Randomness seeded to: 2821824158
-215: [21:52:32] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
-215: ===============================================================================
-215: All tests passed (321 assertions in 16 test cases)
-215: 
-197/235 Test #215: testMolEnumerator ......................   Passed    0.37 sec
-test 217
-        Start 217: testAbbreviations
-
-217: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
-217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations
-217: Test timeout computed to be: 1500
-152: .............[21:52:32] Molecule does not have explicit Hs. Consider calling AddHs()
-217: Randomness seeded to: 440406560
-217: [21:52:32] SMARTS Parse Error: syntax error while parsing: *fail
-217: [21:52:32] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
-217: [21:52:32] no suitable SubstanceGroups found
-217: ===============================================================================
-217: All tests passed (195 assertions in 12 test cases)
-217: 
-198/235 Test #217: testAbbreviations ......................   Passed    0.13 sec
-test 218
-        Start 218: pyAbbreviations
-
-218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
-218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
-218: Test timeout computed to be: 1500
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-216: ...
-216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.020s
-216: 
-216: OK
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:33] Molecule does not have explicit Hs. Consider calling AddHs()
-199/235 Test #216: pyMolEnumerator ........................   Passed    0.84 sec
-test 219
-        Start 219: generalizedSubstructCatch
-
-219: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
-219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
-219: Test timeout computed to be: 1500
-206: CN=c1cc[nH]cn1
-206: CN=c1ccnc[nH]1
-206: CNc1ccncn1
-206: res: CNc1ccncn1
-206: CN=c1cccc[nH]1
-206: CNc1ccccn1
-206: res: CNc1ccccn1
-200/235 Test #206: molTautomerTest ........................   Passed    4.80 sec
-test 220
-        Start 220: pyGeneralizedSubstruct
-
-220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
-220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
-220: Test timeout computed to be: 1500
-219: Randomness seeded to: 912218942
-219: ===============================================================================
-219: All tests passed (486 assertions in 10 test cases)
-219: 
-201/235 Test #219: generalizedSubstructCatch ..............   Passed    0.43 sec
-test 221
-        Start 221: testMolProcessing
-
-221: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
-221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing
-221: Test timeout computed to be: 1500
-218: .......
-218: ----------------------------------------------------------------------
-218: Ran 7 tests in 0.026s
-218: 
-218: OK
-202/235 Test #218: pyAbbreviations ........................   Passed    0.95 sec
-test 222
-        Start 222: pyMolProcessing
-
-222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
-222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
-222: Test timeout computed to be: 1500
-220: .......
-220: ----------------------------------------------------------------------
-220: Ran 7 tests in 0.254s
-220: 
-220: OK
-203/235 Test #220: pyGeneralizedSubstruct .................   Passed    0.75 sec
-test 223
-        Start 223: testMIF
-
-223: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
-223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields
-223: Test timeout computed to be: 1500
-212: Randomness seeded to: 969817879
-212: ===============================================================================
-212: All tests passed (273 assertions in 19 test cases)
-212: 
-204/235 Test #212: testScaffoldNetwork ....................   Passed    4.36 sec
-test 224
-        Start 224: pyMIF
-
-224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
-224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
-224: Test timeout computed to be: 1500
-211: Enumeration has completed
-211: [21:52:34] Tautomer enumeration stopped at 42 tautomers: canceled
-223: Randomness seeded to: 2288585026
-223: ===============================================================================
-223: All tests passed (27926 assertions in 8 test cases)
-223: 
-205/235 Test #223: testMIF ................................   Passed    0.56 sec
-test 225
-        Start 225: testQuery
-
-225: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/testQuery
-225: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query
-225: Test timeout computed to be: 1500
-225: Query
-225: Query2
-225: Equality
-225: Greater
-225: GreaterEqual
-225: Less
-225: LessEqual
-225: Open Range
-225: Closed Range
-225: Float
-225: With Tolerance
-225: Set
-225: And
-225: Or
-225: XOr
-225: pointer and copy foo
-225: Set2
-206/235 Test #225: testQuery ..............................   Passed    0.01 sec
-test 226
-        Start 226: testBaseFeatures
-
-226: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/testBaseFeatures
-226: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features
-226: Test timeout computed to be: 1500
-226: -------------------------------------
-226: Basics for ExplicitFeatures.
-226:   done
-226: -------------------------------------
-226: Basics for ImplicitFeatures.
-226:   done
-226: -------------------------------------
-226: ExplicitFeatures 2D, string type.
-226:   done
-207/235 Test #226: testBaseFeatures .......................   Passed    0.02 sec
-test 227
-        Start 227: testMatCalc
-
-227: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
-227: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc
-227: Test timeout computed to be: 1500
-227: 1.68022e+08
-227: 1.73149e+08
-227: 1.05549e+08
-227: 7.20603e+07
-227: 1.41535e+08
-227: 1.08592e+08
-227: 1.11334e+08
-227: 2.05553e+08
-227: 1.54962e+08
-227: 8.08231e+07
-227: 5.61421e+07
-227: 1.28874e+08
-227: 1.59011e+08
-227: 8.69902e+07
-227: 1.31367e+08
-227: 2.27389e+08
-227: 1.60289e+08
-227: 7.79813e+07
-227: 1.61001e+08
-227: 2.07599e+08
-227: 2.24432e+08
-227: 1.39725e+08
-227: 2.42614e+08
-227: 1.77578e+08
-227: 1.05908e+08
-227: 9.06742e+07
-227: 1.8087e+08
-227: 1.98182e+08
-227: 2.03052e+08
-227: 1.7673e+08
-227: 9.32798e+07
-227: 1.37969e+08
-227: 1.83778e+08
-227: 2.1228e+08
-227: 5.06157e+07
-227: 1.566e+08
-227: 2.37142e+08
-227: 1.49345e+08
-227: 7.05819e+07
-227: 1.71633e+08
-227: 1.96817e+08
-227: 2.18246e+08
-227: 9.49496e+07
-227: 2.25618e+08
-227: 1.30219e+08
-211: ..........[21:52:35] Explicit valence for atom # 1 N, 4, is greater than permitted
-211: [21:52:35] Explicit valence for atom # 1 N, 4, is greater than permitted
-208/235 Test #227: testMatCalc ............................   Passed    0.02 sec
-test 228
-        Start 228: pyMatCalc
-
-228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
-228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
-228: Test timeout computed to be: 1500
-211: [21:52:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [21:52:35] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-222: ..
-222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.773s
-222: 
-222: OK
-224: .......
-224: ----------------------------------------------------------------------
-224: Ran 7 tests in 0.374s
-224: 
-224: OK
-224: Testing MIF wrapper
-209/235 Test #222: pyMolProcessing ........................   Passed    1.72 sec
-test 229
-        Start 229: testSimDivPickers
-
-229: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers
-229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
-229: Test timeout computed to be: 1500
-229: [21:52:35] -------------------------------------
-229: [21:52:35] Testing github issue 1421: MaxMinPicker picking non-existent element.
-229: [21:52:35] Done
-229: [21:52:35] -------------------------------------
-229: [21:52:35] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
-229: [21:52:35] Done
-210/235 Test #229: testSimDivPickers ......................   Passed    0.05 sec
-test 230
-        Start 230: pickersTestsCatch
-
-230: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
-230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
-230: Test timeout computed to be: 1500
-211/235 Test #224: pyMIF ..................................   Passed    1.21 sec
-test 231
-        Start 231: pySimDivPickers
-
-231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
-231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap
-231: Test timeout computed to be: 1500
-230: Randomness seeded to: 2524743193
-230: ===============================================================================
-230: All tests passed (21267 assertions in 1 test case)
-230: 
-212/235 Test #230: pickersTestsCatch ......................   Passed    0.33 sec
-test 232
-        Start 232: pyRanker
-
-232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
-232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap
-232: Test timeout computed to be: 1500
-231: [21:52:36] the useCache argument is deprecated and ignored
-232: ..[21:52:36] 
-232: 
-232: ****
-232: Invariant Violation
-232: Can't rank more bits than the ensemble size
-232: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp
-232: Failed Expression: num <= dp_maskBits->getNumOnBits()
-232: ----------
-232: Stacktrace:
-232:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-232:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-232:  2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitInfoTheory.so.1
-232:  3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
-232:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
-232:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  6# 0x00007F4DB7DDA62C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232: 13# 0x00007F4DB7DD73C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232: 14# _PyObject_MakeTpCall in /usr/bin/python3
-232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 16# 0x00000000005BEE79 in /usr/bin/python3
-232: 17# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 18# 0x0000000000547080 in /usr/bin/python3
-232: 19# 0x00000000006AB720 in /usr/bin/python3
-232: 20# _PyObject_MakeTpCall in /usr/bin/python3
-232: 21# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 22# 0x00000000005BEE79 in /usr/bin/python3
-232: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 24# 0x0000000000547080 in /usr/bin/python3
-232: 25# 0x00000000006AB720 in /usr/bin/python3
-232: 26# _PyObject_MakeTpCall in /usr/bin/python3
-232: 27# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 28# 0x00000000005BEE79 in /usr/bin/python3
-232: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 30# 0x0000000000547080 in /usr/bin/python3
-232: 31# 0x00000000006AB720 in /usr/bin/python3
-232: 32# _PyObject_MakeTpCall in /usr/bin/python3
-232: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 34# 0x000000000059582E in /usr/bin/python3
-232: 35# _PyObject_MakeTpCall in /usr/bin/python3
-232: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 37# PyEval_EvalCode in /usr/bin/python3
-232: 38# 0x000000000066A861 in /usr/bin/python3
-232: 39# 0x000000000066670C in /usr/bin/python3
-232: 40# 0x000000000067F713 in /usr/bin/python3
-232: 41# 0x000000000067ECE3 in /usr/bin/python3
-232: 42# 0x000000000067EB1E in /usr/bin/python3
-232: 43# Py_RunMain in /usr/bin/python3
-232: 44# Py_BytesMain in /usr/bin/python3
-232: 45# 0x00007F4DB94A8CA8 in /lib/x86_64-linux-gnu/libc.so.6
-232: 46# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-232: 47# _start in /usr/bin/python3
-232: ----------
-232: ****
-232: 
-232: ...
-232: ----------------------------------------------------------------------
-232: Ran 5 tests in 0.041s
-232: 
-232: OK
-213/235 Test #232: pyRanker ...............................   Passed    0.46 sec
-test 233
-        Start 233: testChemicalFeatures
-
-233: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
-233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures
-233: Test timeout computed to be: 1500
-233: -----------------------------------------
-233: Test1
-233: Done
-214/235 Test #233: testChemicalFeatures ...................   Passed    0.03 sec
-test 234
-        Start 234: pyFeatures
-
-234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
-234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap
-234: Test timeout computed to be: 1500
-228: .....
-228: ----------------------------------------------------------------------
-228: Ran 5 tests in 1.364s
-228: 
-228: OK
-215/235 Test #228: pyMatCalc ..............................   Passed    1.81 sec
-test 235
-        Start 235: pythonProjectTests
-
-235: Test command: /usr/bin/python3 "-m" "pytest"
-235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
-235: Test timeout computed to be: 1500
-231: ...[21:52:37] the useCache argument is deprecated and ignored
-231: [21:52:37] the useCache argument is deprecated and ignored
-231: .[21:52:37] the useCache argument is deprecated and ignored
-234: ..
-234: ----------------------------------------------------------------------
-234: Ran 2 tests in 0.007s
-234: 
-234: OK
-234: Testing ChemicalFeatures Wrapper code:
-216/235 Test #234: pyFeatures .............................   Passed    1.03 sec
-211: ............[21:52:38] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [21:52:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-211: [21:52:38] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-211: ........[21:52:39] Explicit valence for atom # 1 O, 3, is greater than permitted
-152: ...[21:52:39] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:39] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:39] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:39] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [21:52:39] Molecule does not have explicit Hs. Consider calling AddHs()
-152: ...
-152: ----------------------------------------------------------------------
-152: Ran 19 tests in 37.679s
-152: 
-152: OK
-152: Testing MolAlign Wrappers
+159:  Done
+159:  ----------------- Testing github 1035: overflow bug in SVG color generation
+159:  Done
+159:  ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes
+159:  Done
+159:  ----------------- Testing github 1322: add custom atom labels
+159:  Done
+159:  ----------------- Testing use of a black & white palette
+159:  Done
+159:  ----------------- Testing use of continuous highlighting with drawMolecules
+159:  Done
+159:  ----------------- Test 17 - Testing maximum font size
+159:  Done
+159:  ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list
+159:  Done
+159:  ----------------- Testing use of fixed scales for drawing.
+212/235 Test #176: pyCIPLabelsValidation ..................   Passed    9.75 sec
+159:  Done
+159:  ----------------- Testing rotation of 2D drawing.
+159:  Done
+159:  ----------------- Testing inclusion of molecule metadata
+159:  Done
+159:  ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default
+159:  Done
+159:  ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions
+159: file testGithub2151_1.svg gave hash 3620378781U not the expected 4119581143U
+159: file testGithub2151_2.svg gave hash 3896781930U not the expected 425960913U
+159:  Done
+159:  ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn
+159:  Done
+159:  ----------------- Testing testGithub2931: multi-coloured molecule highlights.
+159: file testGithub2931_1.svg gave hash 811930351U not the expected 3635831631U
+159: file testGithub2931_3.svg gave hash 1986517899U not the expected 2885834646U
+159:  Done
+159:  ----------------- Testing annotation of 2D Drawing.
+159: file test20_1.png gave hash 1526801019U not the expected 200877868U
+159: file test20_2.png gave hash 1568015929U not the expected 1651164846U
+159: file test20_3.png gave hash 2265759724U not the expected 1463603076U
+159: file test20_4.png gave hash 960727959U not the expected 1714613205U
+211: ........[06:35:06] Explicit valence for atom # 1 O, 3, is greater than permitted
+159:  Done
+159:  ----------------- Test 21 - different font
+159: Done
+159:  ----------------- Test 22 - draw explicit methyls.
+159: Done
+159:  ----------------- Testing drawing of legends.
+159:  Done
+159:  ----------------- Test Github 3305 - change and scale line widths.
+159: file testGithub3305_1.png gave hash 4250074512U not the expected 3303791649U
+159: file testGithub3305_2.png gave hash 2438913291U not the expected 4003267433U
+159: file testGithub3305_3.png gave hash 1680056767U not the expected 273338209U
 211: ..
 211: ----------------------------------------------------------------------
-211: Ran 38 tests in 9.694s
+211: Ran 38 tests in 6.728s
 211: 
 211: OK
 211: done
-217/235 Test #152: pyMolAlign .............................   Passed   38.22 sec
-218/235 Test #211: pyMolStandardize .......................   Passed   10.46 sec
-235: ============================= test session starts ==============================
-235: platform linux -- Python 3.13.2, pytest-8.3.4, pluggy-1.5.0
-235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
-235: configfile: pytest.ini
-235: collected 12 items
-235: 
-221: Randomness seeded to: 303811117
-221: ===============================================================================
-221: All tests passed (203 assertions in 1 test case)
-221: 
-219/235 Test #221: testMolProcessing ......................   Passed    8.02 sec
-173: Query 1
-231: .......
-231: ----------------------------------------------------------------------
-231: Ran 11 tests in 5.840s
-231: 
-231: OK
-220/235 Test #231: pySimDivPickers ........................   Passed    6.45 sec
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
-163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: TOTAL Time elapsed 37.60 seconds
-221/235 Test #163: testFMCS ...............................   Passed   37.72 sec
-184: ......[21:52:43] 
+159: file testGithub3305_4.png gave hash 3967750587U not the expected 3842605920U
+159: file testGithub3305_5.png gave hash 2464937348U not the expected 151279576U
+159: file testGithub3305_5.svg gave hash 3310590632U not the expected 1335449325U
+159: file testGithub3305_6.png gave hash 1984494277U not the expected 613418460U
+185: [06:35:06] Relabelling existing label
+159: file testGithub3305_7.png gave hash 2361405774U not the expected 2835747678U
+213/235 Test #211: pyMolStandardize .......................   Passed    7.16 sec
+159: Done
+159:  ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules.
+159: Done
+159:  ----------------- Test Github 4156 - bad scale for radicals in grid
+159:  Done
+159:  ----------------- Test JSON atomColourPalette
+159:  Done
+159:  ----------------- Test draw aromatic OR queries
+159:  Done
+159:  ----------------- Test AND queries
+159:  Done
+214/235 Test #159: moldraw2DTest1 .........................   Passed   10.66 sec
+185: Best mapping
+215/235 Test #185: testRGroupDecomp .......................   Passed    9.50 sec
+170: Randomness seeded to: 4216257397
+170: [06:35:07] Timed out after 11 seconds.
+182: [06:35:08] -------------------------------------
+182: [06:35:08]    Results do not depend on numThreads (all same) 
+182: [06:35:08] -------------------------------------
+182: [06:35:08]    testTautomerQueries
+81: ===============================================================================
+81: All tests passed (1601 assertions in 100 test cases)
+81: 
+216/235 Test  #81: fileParsersCatchTest ...................   Passed   13.02 sec
+182: [06:35:08] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
+182: [06:35:08] -------------------------------------
+182: [06:35:08]   github3881 recursive smarts with rings 
+217/235 Test #182: substructLibraryTest ...................   Passed   10.93 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+29: All 191 tests passed
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
+184: ......[06:35:08] 
 184: 
 184: ****
 184: Pre-condition Violation
@@ -34257,25 +34232,25 @@
 184:  9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184: 10# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 11# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 12# 0x00007FA349C5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 12# 0x00007F4177C5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 14# 0x00007FA34C21262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 14# 0x00007F417A02462C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 15# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 20# 0x00007FA349BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x00007FA349BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x00007FA349BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x00007FA349BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x00007FA349BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 20# 0x00007F4177BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x00007F4177BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x00007F4177BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x00007F4177BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x00007F4177BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 29# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 30# 0x00007FA34C20F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 30# 0x00007F417A0213C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 31# _PyObject_MakeTpCall in /usr/bin/python3
 184: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
 184: 33# 0x00000000005BEE79 in /usr/bin/python3
@@ -34307,13 +34282,13 @@
 184: 59# 0x000000000067EB1E in /usr/bin/python3
 184: 60# Py_RunMain in /usr/bin/python3
 184: 61# Py_BytesMain in /usr/bin/python3
-184: 62# 0x00007FA34CB68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+184: 62# 0x00007F417A967CA8 in /lib/x86_64-linux-gnu/libc.so.6
 184: 63# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 184: 64# _start in /usr/bin/python3
 184: ----------
 184: ****
 184: 
-184: [21:52:43] 
+184: [06:35:08] 
 184: 
 184: ****
 184: Pre-condition Violation
@@ -34325,7 +34300,7 @@
 184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 184:  2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  3# 0x00007FA3496E6C80 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  3# 0x00007F41776E6C80 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 184:  4# Queries::EqualityQuery<int, RDKit::Bond const*, true>::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 184:  5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
@@ -34335,25 +34310,25 @@
 184: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184: 11# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 12# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 13# 0x00007FA349C5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 13# 0x00007F4177C5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 15# 0x00007FA34C21262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 15# 0x00007F417A02462C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 16# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 184: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x00007FA349BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x00007FA349BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x00007FA349BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x00007FA349BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 25# 0x00007FA349BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x00007F4177BB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x00007F4177BB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x00007F4177BB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x00007F4177BB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 25# 0x00007F4177BB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 30# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 31# 0x00007FA34C20F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 31# 0x00007F417A0213C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 32# _PyObject_MakeTpCall in /usr/bin/python3
 184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
 184: 34# 0x00000000005BEE79 in /usr/bin/python3
@@ -34385,13 +34360,14 @@
 184: 60# 0x000000000067EB1E in /usr/bin/python3
 184: 61# Py_RunMain in /usr/bin/python3
 184: 62# Py_BytesMain in /usr/bin/python3
-184: 63# 0x00007FA34CB68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+184: 63# 0x00007F417A967CA8 in /lib/x86_64-linux-gnu/libc.so.6
 184: 64# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 184: 65# _start in /usr/bin/python3
 184: ----------
 184: ****
 184: 
-194: ..[21:52:44] 
+152: .............[06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ..[06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34405,7 +34381,7 @@
 194:  2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol& (RDKit::Atom::*)() const, boost::python::return_internal_reference<1ul, boost::python::default_call_policies>, boost::mpl::vector2<RDKit::ROMol&, RDKit::Atom&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34416,17 +34392,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34458,13 +34434,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [21:52:44] 
+194: [06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34478,7 +34454,7 @@
 194:  2# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34489,17 +34465,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34531,13 +34507,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [21:52:44] 
+194: [06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34551,7 +34527,7 @@
 194:  2# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34562,17 +34538,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34604,13 +34580,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [21:52:44] 
+194: [06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34624,7 +34600,7 @@
 194:  2# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*), boost::python::default_call_policies, boost::mpl::vector2<bool, RDKit::Atom const*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34635,17 +34611,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34677,13 +34653,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [21:52:44] 
+194: [06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34697,7 +34673,7 @@
 194:  2# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*, int), boost::python::default_call_policies, boost::mpl::vector3<bool, RDKit::Atom const*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34708,17 +34684,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34750,13 +34726,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .....[21:52:44] 
+194: .....[06:35:09] 
 194: 
 194: ****
 194: Range Error
@@ -34770,7 +34746,7 @@
 194:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<int (RDKit::ReadWriteMol::*)(unsigned int, unsigned int, RDKit::Bond::BondType), boost::python::default_call_policies, boost::mpl::vector5<int, RDKit::ReadWriteMol&, unsigned int, unsigned int, RDKit::Bond::BondType> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34781,17 +34757,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34823,49 +34799,52 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ......[21:52:44] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [21:52:44] ERROR: Smiles parse error on line 0
-194: [21:52:44] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [21:52:44] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [21:52:44] SMILES Parse Error: check for mistakes around position 2:
-194: [21:52:44] C(C
-194: [21:52:44] ~^
-194: [21:52:44] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [21:52:44] ERROR: Smiles parse error on line 3
-194: [21:52:44] ERROR: Cannot create molecule from : 'C(C'
-194: [21:52:44] Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [21:52:44] ERROR: Could not sanitize molecule on line 6
-194: [21:52:44] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [21:52:44] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [21:52:44] ERROR: Smiles parse error on line 0
-194: [21:52:44] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [21:52:44] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [21:52:44] SMILES Parse Error: check for mistakes around position 2:
-194: [21:52:44] C(C
-194: [21:52:44] ~^
-194: [21:52:44] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [21:52:44] ERROR: Smiles parse error on line 3
-194: [21:52:44] ERROR: Cannot create molecule from : 'C(C'
-194: [21:52:44] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
-194: [21:52:44] ERROR: Smiles parse error on line 6
-194: [21:52:44] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
-194: [21:52:44] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:44] ERROR: Could not sanitize molecule ending on line 21
-194: [21:52:44] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:44] ERROR: EOF hit while reading atoms
-194: [21:52:44] ERROR: moving to the beginning of the next molecule
-194: [21:52:44] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:44] ERROR: Could not sanitize molecule ending on line 21
-194: [21:52:44] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:44] ERROR: EOF hit while reading atoms
-194: [21:52:44] ERROR: moving to the beginning of the next molecule
-194: ....[21:52:44] 
+194: ......[06:35:09] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [06:35:09] ERROR: Smiles parse error on line 0
+194: [06:35:09] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [06:35:09] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 2:
+194: [06:35:09] C(C
+194: [06:35:09] ~^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [06:35:09] ERROR: Smiles parse error on line 3
+194: [06:35:09] ERROR: Cannot create molecule from : 'C(C'
+194: [06:35:09] Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [06:35:09] ERROR: Could not sanitize molecule on line 6
+194: [06:35:09] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [06:35:09] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [06:35:09] ERROR: Smiles parse error on line 0
+194: [06:35:09] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [06:35:09] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 2:
+194: [06:35:09] C(C
+194: [06:35:09] ~^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [06:35:09] ERROR: Smiles parse error on line 3
+194: [06:35:09] ERROR: Cannot create molecule from : 'C(C'
+194: [06:35:09] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
+194: [06:35:09] ERROR: Smiles parse error on line 6
+194: [06:35:09] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
+194: [06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] ERROR: Could not sanitize molecule ending on line 21
+194: [06:35:09] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] ERROR: EOF hit while reading atoms
+194: [06:35:09] ERROR: moving to the beginning of the next molecule
+194: [06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] ERROR: Could not sanitize molecule ending on line 21
+194: [06:35:09] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] ERROR: EOF hit while reading atoms
+194: [06:35:09] ERROR: moving to the beginning of the next molecule
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ....[06:35:09] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34879,7 +34858,7 @@
 194:  2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::RingInfo::*)() const, boost::python::default_call_policies, boost::mpl::vector2<unsigned int, RDKit::RingInfo&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34890,17 +34869,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34932,13 +34911,14 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .............[21:52:44] 
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+194: .............[06:35:09] 
 194: 
 194: ****
 194: Range Error
@@ -34952,7 +34932,7 @@
 194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Atom* (RDKit::ROMol::*)(unsigned int), boost::python::return_internal_reference<1ul, boost::python::with_custodian_and_ward_postcall<0ul, 1ul, boost::python::default_call_policies> >, boost::mpl::vector3<RDKit::Atom*, RDKit::ROMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F1A0926262C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F5675CA662C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34963,17 +34943,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F1A067B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F1A067B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F1A067B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F1A067B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F1A067B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F56733B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F56733B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F56733B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F56733B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F56733B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F1A0925F3C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F5675CA33C6 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -35005,92 +34985,137 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F1A09A68CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F5676480CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ...[21:52:44] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: ............................[21:52:45] SMILES Parse Error: unclosed ring for input: 'C1CC'
+194: ...[06:35:09] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:09] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ............................[06:35:09] SMILES Parse Error: unclosed ring for input: 'C1CC'
 194: ......smi:  CC1=C(n2cccc2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:8.9,2.11,a:2,&1:8|
-194: 294
-194: ..[21:52:45] WARNING: not removing hydrogen atom without neighbors
-194: [21:52:45] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: [21:52:45] WARNING: not removing hydrogen atom with wedged bond
-194: [21:52:45] WARNING: not removing hydrogen atom without neighbors
-194: [21:52:45] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: ......[21:52:45] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:45] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: .[21:52:45] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:45] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:45] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:45] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [21:52:45] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [21:52:45] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [21:52:45] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: ..........[21:52:45] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [21:52:45] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: .[21:52:45] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [21:52:45] SMILES Parse Error: check for mistakes around position 4:
-194: [21:52:45] CCC |$foo;;bar$| ourname
-194: [21:52:45] ~~~^
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: ..[21:52:45] SMILES Parse Error: syntax error while parsing: error
-194: [21:52:45] SMILES Parse Error: check for mistakes around position 1:
-194: [21:52:45] error
-194: [21:52:45] ^
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
-194: [21:52:45] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
-194: [21:52:45] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
-173: Query 2
-194: .........................[21:52:45] SMILES Parse Error: syntax error while parsing: garbage_0
-194: [21:52:45] SMILES Parse Error: check for mistakes around position 1:
-194: [21:52:45] garbage_0
-194: [21:52:45] ^
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
-194: [21:52:45] SMILES Parse Error: syntax error while parsing: garbage_2
-194: [21:52:45] SMILES Parse Error: check for mistakes around position 1:
-194: [21:52:45] garbage_2
-194: [21:52:45] ^
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
-194: [21:52:45] SMILES Parse Error: syntax error while parsing: garbage_4
-194: [21:52:45] SMILES Parse Error: check for mistakes around position 1:
-194: [21:52:45] garbage_4
-194: [21:52:45] ^
-194: [21:52:45] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+194: 837
+194: ..[06:35:09] WARNING: not removing hydrogen atom without neighbors
+194: [06:35:09] WARNING: not removing hydrogen atom with dummy atom neighbors
+194: [06:35:09] WARNING: not removing hydrogen atom with wedged bond
+194: [06:35:09] WARNING: not removing hydrogen atom without neighbors
+194: [06:35:09] WARNING: not removing hydrogen atom with dummy atom neighbors
+194: ......[06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: .[06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [06:35:09] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [06:35:09] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [06:35:09] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: ..........[06:35:09] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [06:35:09] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: .[06:35:09] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 4:
+194: [06:35:09] CCC |$foo;;bar$| ourname
+194: [06:35:09] ~~~^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: ..[06:35:09] SMILES Parse Error: syntax error while parsing: error
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 1:
+194: [06:35:09] error
+194: [06:35:09] ^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
+194: [06:35:09] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
+194: [06:35:09] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
+194: .........................[06:35:09] SMILES Parse Error: syntax error while parsing: garbage_0
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 1:
+194: [06:35:09] garbage_0
+194: [06:35:09] ^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
+194: [06:35:09] SMILES Parse Error: syntax error while parsing: garbage_2
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 1:
+194: [06:35:09] garbage_2
+194: [06:35:09] ^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
+194: [06:35:09] SMILES Parse Error: syntax error while parsing: garbage_4
+194: [06:35:09] SMILES Parse Error: check for mistakes around position 1:
+194: [06:35:09] garbage_4
+194: [06:35:09] ^
+194: [06:35:09] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
 194: ............
 194: ----------------------------------------------------------------------
-194: Ran 279 tests in 19.626s
+194: Ran 279 tests in 10.740s
 194: 
 194: OK
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
-222/235 Test #198: pyTestThreads ..........................   Passed   20.31 sec
-223/235 Test #194: pyGraphMolWrap .........................   Passed   23.22 sec
-148: .........[21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [21:52:50] Molecule does not have explicit Hs. Consider calling AddHs()
+218/235 Test #194: pyGraphMolWrap .........................   Passed   11.47 sec
+173: Query 0
+95: 0,0 0
+95: 0,1 0
+95: 1,0 0
+95: 1,1 0
+95: 2,0 0
+95: 2,1 0
+219/235 Test  #95: testEnumeration ........................   Passed   15.47 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+184: .............
+184: ----------------------------------------------------------------------
+184: Ran 19 tests in 13.030s
+184: 
+184: OK
+184: Testing atom rings
+184: testing bond rings
+184: searching atom rings
+184: searching bond rings
+184: done
+29: All 191 tests passed
+29:   done
+29: -------------------------------------
+29: Unit tests for all MMFF constraint terms.
+220/235 Test #184: pySubstructLibrary .....................   Passed   13.60 sec
+29: 10.0003
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF TorsionConstraint close to 0 degrees.
+29:   done
+29: -------------------------------------
+29: Unit tests for copying MMFF ForceFields.
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF butane scan.
+29:   done
+221/235 Test  #29: testMMFFForceField .....................   Passed   16.68 sec
+152: ...[06:35:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:11] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [06:35:11] Molecule does not have explicit Hs. Consider calling AddHs()
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
+163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
+163: TOTAL Time elapsed 15.45 seconds
+152: ...
+152: ----------------------------------------------------------------------
+152: Ran 19 tests in 15.396s
+152: 
+152: OK
+152: Testing MolAlign Wrappers
+222/235 Test #163: testFMCS ...............................   Passed   15.51 sec
+223/235 Test #152: pyMolAlign .............................   Passed   15.75 sec
+52: Randomness seeded to: 558554392
+52: ===============================================================================
+52: All tests passed (14835 assertions in 14 test cases)
+52: 
+224/235 Test  #52: canonTestsCatch ........................   Passed   17.92 sec
+173: Query 1
 150: 	---------------------------------
 150: 	 test O3A multithreading bug
 150: 
@@ -35103,36 +35128,47 @@
 150:  launch :1
 150:  launch :2
 150:  launch :3
+173: Query 2
+148: .........[06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [06:35:14] Molecule does not have explicit Hs. Consider calling AddHs()
+209: [06:35:15] Explicit valence for atom # 0 Br, 1, is greater than permitted
+209: ===============================================================================
+209: All tests passed (38344 assertions in 51 test cases)
+209: 
+225/235 Test #209: molStandardizeCatchTest ................   Passed   16.05 sec
 148: ...
 148: ----------------------------------------------------------------------
-148: Ran 22 tests in 55.991s
+148: Ran 22 tests in 20.993s
 148: 
 148: OK
-224/235 Test #148: pyDistGeomHelpers ......................   Passed   56.97 sec
-184: .............
-184: ----------------------------------------------------------------------
-184: Ran 19 tests in 43.186s
-184: 
-184: OK
-184: Testing atom rings
-184: testing bond rings
-184: searching atom rings
-184: searching bond rings
-184: done
-225/235 Test #184: pySubstructLibrary .....................   Passed   44.12 sec
-209: [21:53:02] Explicit valence for atom # 0 Br, 1, is greater than permitted
-209: ===============================================================================
-209: All tests passed (38344 assertions in 51 test cases)
-209: 
-226/235 Test #209: molStandardizeCatchTest ................   Passed   33.70 sec
-147: [21:53:13] UFFTYPER: Unrecognized atom type: S_6+6 (0)
-147: [21:53:13] UFFTYPER: Warning: hybridization set to SP3 for atom 0
-147: [21:53:13] UFFTYPER: Unrecognized charge state for atom: 0
-150: 	---------------------------------
-150: 	 test getO3AForProbeConfs
-150: 
-150: ***********************************************************
-227/235 Test #150: testO3AAlign ...........................   Passed   77.10 sec
+226/235 Test #148: pyDistGeomHelpers ......................   Passed   21.36 sec
+33: [06:35:17] Finished
+33: [06:35:17] -------------------------------------
+33: [06:35:17]     Test github1843: RWMol.clear() should not destroy ring pointer.
+33: [06:35:17] Finished
+33: [06:35:17] -------------------------------------
+33: [06:35:17]     Test Github 6370: non-physical radical counts being preserved
+33: [06:35:17] Finished
+227/235 Test  #33: graphmolTest1 ..........................   Passed   22.79 sec
 235: DbCLI/UnitTestDbCLI.py ............                                      [100%]
 235: 
 235: =============================== warnings summary ===============================
@@ -35141,61 +35177,69 @@
 235:     decBase = declarative_base()
 235: 
 235: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
-235: ======================== 12 passed, 1 warning in 45.10s ========================
-228/235 Test #235: pythonProjectTests .....................   Passed   46.72 sec
-33: [21:53:28] Finished
-33: [21:53:28] -------------------------------------
-33: [21:53:28]     Test github1843: RWMol.clear() should not destroy ring pointer.
-33: [21:53:28] Finished
-33: [21:53:28] -------------------------------------
-33: [21:53:28]     Test Github 6370: non-physical radical counts being preserved
-33: [21:53:28] Finished
-229/235 Test  #33: graphmolTest1 ..........................   Passed  100.56 sec
-146: [21:53:40]   done
-173: Query 3
-173: Query 4
-146: [21:53:40] 	---------------------------------
-146: [21:53:40] 	 test github issue 256: handling of zero-atom molecules
+235: ======================== 12 passed, 1 warning in 17.81s ========================
+228/235 Test #235: pythonProjectTests .....................   Passed   18.35 sec
+5: [06:35:21] Finished: testMultipleTimes() 
+5: [06:35:21] 
+5: -----------------------------------------
+229/235 Test   #5: testConcurrentQueue ....................   Passed   26.26 sec
+150: 	---------------------------------
+150: 	 test getO3AForProbeConfs
+150: 
+150: ***********************************************************
+230/235 Test #150: testO3AAlign ...........................   Passed   25.20 sec
+147: [06:35:26] UFFTYPER: Unrecognized atom type: S_6+6 (0)
+147: [06:35:26] UFFTYPER: Warning: hybridization set to SP3 for atom 0
+147: [06:35:26] UFFTYPER: Unrecognized charge state for atom: 0
+146: [06:35:33]   done
+171: ===============================================================================
+171: All tests passed (93 assertions in 5 test cases)
+171: 
+231/235 Test #171: testRascalCluster ......................   Passed   38.12 sec
+146: [06:35:33] 	---------------------------------
+146: [06:35:33] 	 test github issue 256: handling of zero-atom molecules
 146: 
-146: [21:53:40] 	---------------------------------
-146: [21:53:40] 	 test embedder callback function 
-146: [21:53:40] 	---------------------------------
-146: [21:53:40] 	 test multi-threaded multi-conf embedding 
+146: [06:35:33] 	---------------------------------
+146: [06:35:33] 	 test embedder callback function 
+146: [06:35:33] 	---------------------------------
+146: [06:35:33] 	 test multi-threaded multi-conf embedding 
 146: 
-146: [21:53:46] 	---------------------------------
-146: [21:53:46] 	 test github issue 563: Incorrect ring stereochemistry after embedding
+146: [06:35:36] 	---------------------------------
+146: [06:35:36] 	 test github issue 563: Incorrect ring stereochemistry after embedding
 146: 
 146: CNC[C@H]1CC[C@H](C[NH3+])CC1
-146: [21:53:48] 	---------------------------------
-146: [21:53:48] 	 test github issue 568: Incorrect stereochemistry after embedding
+173: Query 3
+146: [06:35:37] 	---------------------------------
+146: [06:35:37] 	 test github issue 568: Incorrect stereochemistry after embedding
 146: 
 146: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
 146: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
+173: Query 4
 146: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12
 146: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
-171: ===============================================================================
-171: All tests passed (93 assertions in 5 test cases)
-171: 
-230/235 Test #171: testRascalCluster ......................   Passed  102.89 sec
 146: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
 146: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
 146: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O
-5: [21:53:57] Finished: testMultipleTimes() 
-5: [21:53:57] 
-5: -----------------------------------------
-231/235 Test   #5: testConcurrentQueue ....................   Passed  129.25 sec
 146: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21
 146: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2
+146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
+146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
+146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
+146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
+146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
+146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
 170: ===============================================================================
 170: All tests passed (3582 assertions in 34 test cases)
 170: 
-232/235 Test #170: testRascalMCES .........................   Passed  110.77 sec
-146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
-146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
-147: [21:54:00] Interrupted, cancelling conformer generation
+232/235 Test #170: testRascalMCES .........................   Passed   50.23 sec
+146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
+173: Query 5
+146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
+146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+147: [06:35:48] Interrupted, cancelling conformer generation
 147: Atoms:
 147: 	0 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[9 3 1 6]
 147: 	1 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[0 13 6 7]
@@ -35231,15 +35275,7 @@
 147: ===============================================================================
 147: All tests passed (12742 assertions in 21 test cases)
 147: 
-233/235 Test #147: distGeomHelpersCatch ...................   Passed  121.54 sec
-146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
-146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
-146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
-173: Query 5
-146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
-146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
-146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
-146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+233/235 Test #147: distGeomHelpersCatch ...................   Passed   53.04 sec
 146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
 146: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
 146: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
@@ -35247,47 +35283,47 @@
 146: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
 146: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
 146: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
-146: [21:54:26] Molecule does not have explicit Hs. Consider calling AddHs()
-146: [21:54:16] 	---------------------------------
-146: [21:54:16] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
-146: [21:54:16] 	---------------------------------
-146: [21:54:16] 	 More ChEMBL molecules failing bounds smoothing.
-146: [21:54:16] 	---------------------------------
-146: [21:54:16] 	 ugly conformations can be generated for highly constrained ring systems.
-146: [21:54:16] 	---------------------------------
-146: [21:54:16] 	 test embed parameters structure.
-146: [21:54:17] 	---------------------------------
-146: [21:54:17] 	 test github 1227: Hs being used in RMSD filtering.
-146: [21:54:17] 	---------------------------------
-146: [21:54:17] 	 Failure to embed larger aromatic rings.
-146: [21:54:19] 	---------------------------------
-146: [21:54:19] 	 Deterministic with large random seeds
-146: [21:54:24] 	---------------------------------
-146: [21:54:24] 	 Github #1990: seg fault after RemoveHs
-146: [21:54:24] 	---------------------------------
-146: [21:54:24] 	 Github #2246: Use coordMap when starting embedding from random coords
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 Providing a distance bounds matrix.
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 Disabling fragmentation.
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 Using symmetry in conformation pruning.
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 Force trans amides.
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 test missing Hs warning.
-146: [21:54:26] 	---------------------------------
-146: [21:54:26] 	 basic H bond support.
-146: [21:54:26] *******************************************************
-234/235 Test #146: testDistGeomHelpers ....................   Passed  147.05 sec
+146: [06:35:58] Molecule does not have explicit Hs. Consider calling AddHs()
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 More ChEMBL molecules failing bounds smoothing.
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 ugly conformations can be generated for highly constrained ring systems.
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 test embed parameters structure.
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 test github 1227: Hs being used in RMSD filtering.
+146: [06:35:53] 	---------------------------------
+146: [06:35:53] 	 Failure to embed larger aromatic rings.
+146: [06:35:54] 	---------------------------------
+146: [06:35:54] 	 Deterministic with large random seeds
+146: [06:35:57] 	---------------------------------
+146: [06:35:57] 	 Github #1990: seg fault after RemoveHs
+146: [06:35:57] 	---------------------------------
+146: [06:35:57] 	 Github #2246: Use coordMap when starting embedding from random coords
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 Providing a distance bounds matrix.
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 Disabling fragmentation.
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 Using symmetry in conformation pruning.
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 Force trans amides.
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 test missing Hs warning.
+146: [06:35:58] 	---------------------------------
+146: [06:35:58] 	 basic H bond support.
+146: [06:35:58] *******************************************************
+234/235 Test #146: testDistGeomHelpers ....................   Passed   62.62 sec
 173: ===============================================================================
 173: All tests passed (215 assertions in 18 test cases)
 173: 
-235/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed  137.92 sec
+235/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed   64.88 sec
 
 100% tests passed, 0 tests failed out of 235
 
-Total Test time (real) = 161.06 sec
+Total Test time (real) =  66.78 sec
 make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    create-stamp debian/debhelper-build-stamp
@@ -35297,7 +35333,7 @@
    debian/rules override_dh_auto_install
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_auto_install
-	cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/rdkit-202409.6/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+	cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/rdkit-202409.6/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6 -B/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 make  -f CMakeFiles/Makefile2 preinstall
@@ -35308,1278 +35344,1278 @@
 /usr/bin/cmake -P cmake_install.cmake
 -- Install configuration: "None"
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/conftest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDRandom.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/cactvs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/listutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/retest.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw_qax.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/fileutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/spiral.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/TestRunner.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/DSViewer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Randomize.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Generate.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Matcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateHeterocycles.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors3D.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BuildFragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ReducedGraphs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SATIS.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasTools.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/AtomTypes.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState_VSA.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/Fingerprinter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalFeatures.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PyMol.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SpacialScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateStereoisomers.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_sa.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_orig.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TorsionFingerprints.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/GraphDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Lipinski.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fragments.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SaltRemover.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Graphs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasTools.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasPatcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/QED.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Torsions.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Pairs.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Sheridan.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Pairs.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BRICS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ReducedGraphs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/QED.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AllChem.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TorsionFingerprints.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FilterCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/GraphDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Crippen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Lipinski.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalForceFields.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentMatcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PropertyMol.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FunctionalGroups.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/RegistrationHash.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/github4823.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatFinderCLI.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/MolDrawing.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/FreeSans.ttf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/IPythonConsole.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BuildFragmentCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FunctionalGroups.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/github4823.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors3D.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ShowMols.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/demoCombined.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ShowMols.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolSurf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SpacialScore.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/RegistrationHash.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TemplateAlign.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Randomize.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FilterCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Crippen.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentMatcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Recap.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FastSDMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalForceFields.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SATIS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MACCSkeys.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Utils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Generate.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Matcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasPatcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PropertyMol.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/BulkTester.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PyMol.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalFeatures.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/inchi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState_VSA.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/AtomTypes.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/Fingerprinter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateStereoisomers.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/ShowFeats.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/DSViewer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MACCSkeys.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FastSDMolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AllChem.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MCS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/InchiInfo.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/MolKey.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/ShowFeats.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbConnection.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbInfo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbModule.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbResultSet.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/StorageUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDLogger.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/pytest.ini
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Graphs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolSurf.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SaltRemover.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fragments.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/IPythonConsole.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/MolDrawing.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/FreeSans.ttf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Recap.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/inchi.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_sa.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_orig.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Stats.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/MLData.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Quantize.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/DataUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/SplitData.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Transforms.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/FindQuantBounds.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/MLData.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/SplitData.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Quantize.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/files.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/Risk.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/Scoring.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Parser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/VoteImg.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/Risk.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Descriptors.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/entropy.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitRank.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitClusterer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitRank.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/VoteImg.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MatOps.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterVis.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/murtagh_test.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clusters.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Resemblance.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterUtils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Murtagh.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clusters.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Standardize.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Resemblance.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/murtagh_test.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterVis.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Butina.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MatOps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/files.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/Scoring.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Filter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Output.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Node.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Transform.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Supply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/demo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SDSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/LazySignature.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsemble.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/TopNContainer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/VectCollection.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsembleDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/HierarchyVis.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDRandom.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/TestRunner.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDConfig.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/fileutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw_qax.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/cactvs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/retest.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/listutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/spiral.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemutils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgeom.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfdoc.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pidPDF.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/pidReportLab.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/HTMLPiddler.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/psmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/fontinfo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/latin1MetricsCache.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/pidPS.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pid.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pidtest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pstests.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/testallps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/pidSVG.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/pidPyart.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/Fontmapping.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/utils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/stringformat.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/colors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pidPIL.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfdoc.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfmetrics.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pidPDF.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgeom.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pagesizes.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt4.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/fontinfo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/psmetrics.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/latin1MetricsCache.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/pidPS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/pidSVG.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/formatted-strings.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/pidTK.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pstests.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/testallps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pidtest.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWX.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWxDc.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWX.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pagesizes.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/pidPyart.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/Fontmapping.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/HTMLPiddler.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/colors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/formatted-strings.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/utils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pid.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/pidReportLab.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/HierarchyVis.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/VectCollection.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/TopNContainer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/LazySignature.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsemble.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsembleDb.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Transform.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Supply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Node.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/demo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SDSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Output.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Filter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDConfig.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbResultSet.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbInfo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbModule.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbConnection.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/StorageUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDLogger.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/conftest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Crippen.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/rddata.sql
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/rddata.sql
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Salts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Crippen.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/RD.css
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BuildFragmentCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbMolSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Sheridan.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.TemplateExpand.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.SDFToCSV.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Quantize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Parser.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSynthonSpaceSearch.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDetermineBonds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Sheridan.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rdMolStandardize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clustering.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BRICS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSynthonSpaceSearch.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FastSDMolSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.FraggleSim.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MatOps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rdGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.TopNContainer.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.cDataStructs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rdMolStandardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.TemplateExpand.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AllChem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeObjects.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SaltRemover.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BuildFragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMHFPFingerprint.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
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--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.AlignDepict.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.cDataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesDupeFilter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDRandom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ReducedGraphs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rdForceField.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Parser.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Graphs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ShowMols.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Randomize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rdForceField.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeObjects.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.SDFToCSV.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BRICS.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDepictor.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemReactions.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.GraphDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesDupeFilter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.FraggleSim.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.FindQuantBounds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbMolSupply.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.DistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.CompoundDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ShowMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdtrajectory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitClusterer.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDRandom.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AllChem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Quantize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.AlignDepict.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cookbook.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cartridge.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/RD.css
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_ACP_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/stepwise
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/README
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/UnitTestDbCLI.cpython-313-pytest-8.3.4.pyc
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/CreateDb.cpython-313.pyc
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/SearchDb.cpython-313.pyc
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/stepwise
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/pytest.ini
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/test.sh
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__main__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/test.sh
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/README.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/README.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1.2024.09.6
@@ -36623,12 +36659,12 @@
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/test.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2024.09.6
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so
@@ -37237,6 +37273,8 @@
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_python3 -ppython3-rdkit
 I: dh_python3 fs:421: renaming rdBase.so to rdBase.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdAbbreviations.so to rdAbbreviations.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdChemReactions.so to rdChemReactions.cpython-313-x86_64-linux-gnu.so
@@ -37279,18 +37317,16 @@
 I: dh_python3 fs:421: renaming rdqueries.so to rdqueries.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdtrajectory.so to rdtrajectory.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdMolStandardize.so to rdMolStandardize.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming cQuantize.so to cQuantize.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdInfoTheory.so to rdInfoTheory.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming Clustering.so to Clustering.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdAlignment.so to rdAlignment.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming cDataStructs.so to cDataStructs.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-313-x86_64-linux-gnu.so
 dh_numpy3 -ppython3-rdkit
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    dh_installsystemduser -O--buildsystem=cmake
@@ -37915,22 +37951,22 @@
    dh_strip -a -O--buildsystem=cmake
    dh_makeshlibs -a -O--buildsystem=cmake
    dh_shlibdeps -a -O--buildsystem=cmake
+dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol palloc0: it's probably a plugin
+dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all)
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 from: /lib64/ld-linux-x86-64.so.2
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged
-dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol errfinish: it's probably a plugin
-dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all)
-dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyErr_SetString used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_IndexError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyErr_SetString used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: 2 other similar warnings have been skipped (use -v to see them all)
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 from: /lib64/ld-linux-x86-64.so.2
@@ -37938,29 +37974,29 @@
  diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged
    dh_installdeb -O--buildsystem=cmake
    dh_gencontrol -O--buildsystem=cmake
-dpkg-gencontrol: warning: package postgresql-17-rdkit: 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 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: 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: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
 dpkg-gencontrol: warning: package rdkit-data: substitution variable ${python3:Depends} unused, but is defined
 dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is 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 librdkit1t64: 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: 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 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.6-2_amd64.deb'.
-dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_amd64.deb'.
-dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.6-2_all.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_amd64.deb'.
  dpkg-genbuildinfo --build=binary -O../rdkit_202409.6-2_amd64.buildinfo
  dpkg-genchanges --build=binary -O../rdkit_202409.6-2_amd64.changes
 dpkg-genchanges: info: binary-only upload (no source code included)
@@ -37968,12 +38004,14 @@
 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/3364963/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/3364963/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/2242063 and its subdirectories
-I: Current time: Sun Mar 16 22:00:04 -12 2025
-I: pbuilder-time-stamp: 1742205604
+I: removing directory /srv/workspace/pbuilder/3364963 and its subdirectories
+I: Current time: Mon Apr 20 06:40:45 +14 2026
+I: pbuilder-time-stamp: 1776616845