Sourcing python-remove-tests-dir-hook Sourcing python-catch-conflicts-hook.sh Sourcing python-remove-bin-bytecode-hook.sh Sourcing setuptools-build-hook Using setuptoolsShellHook Sourcing pip-install-hook Sourcing python-imports-check-hook.sh Using pythonImportsCheckPhase Sourcing python-namespaces-hook Sourcing setuptools-check-hook unpacking sources patching sources configuring fixing cmake files... cmake flags: -DCMAKE_FIND_USE_SYSTEM_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_BUILD_TYPE=Release -DCMAKE_SKIP_BUILD_RPATH=ON -DBUILD_TESTING=OFF -DCMAKE_INSTALL_LOCALEDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/share/locale -DCMAKE_INSTALL_LIBEXECDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/libexec -DCMAKE_INSTALL_LIBDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib -DCMAKE_INSTALL_DOCDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/share/doc/RDKit -DCMAKE_INSTALL_INFODIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/share/info -DCMAKE_INSTALL_MANDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/share/man -DCMAKE_INSTALL_OLDINCLUDEDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include -DCMAKE_INSTALL_INCLUDEDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include -DCMAKE_INSTALL_SBINDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/sbin -DCMAKE_INSTALL_BINDIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/bin -DCMAKE_INSTALL_NAME_DIR=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib -DCMAKE_POLICY_DEFAULT_CMP0025=NEW -DCMAKE_OSX_SYSROOT= -DCMAKE_FIND_FRAMEWORK=LAST -DCMAKE_STRIP=/nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/strip -DCMAKE_RANLIB=/nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/ranlib -DCMAKE_AR=/nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/ar -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DCMAKE_INSTALL_PREFIX=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5 -DCATCH_DIR=/nix/store/v7sp9y8hrd57jh6j65sik7nxvvbgkk8q-catch-1.12.2/include/catch -DINCHI_LIBRARY=/nix/store/4arfnls9ca2phmmy5mjm96qy4049p7c0-inchi-1.0.6/lib/libinchi.so -DINCHI_LIBRARIES=/nix/store/4arfnls9ca2phmmy5mjm96qy4049p7c0-inchi-1.0.6/lib/libinchi.so -DINCHI_INCLUDE_DIR=/nix/store/4arfnls9ca2phmmy5mjm96qy4049p7c0-inchi-1.0.6/include/inchi -DEIGEN3_INCLUDE_DIR=/nix/store/cxb10p4d29w2k87abk2dax0y1p5g2w9w-eigen-3.3.7/include/eigen3 -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON -DRDK_BUILD_FREESASA_SUPPORT=ON -DRDK_BUILD_YAEHMOP_SUPPORT=ON -DRDK_BUILD_MAEPARSER_SUPPORT=ON -DMAEPARSER_DIR=/nix/store/6q3zlrzqdnh1nb5yq17vn6794421wvzj-maeparser-1.2.4 -DRDK_BUILD_COORDGEN_SUPPORT=ON -DCOORDGEN_DIR=/nix/store/yq9630ra2zzxjk3n45azwgdg1yxsdkhh-coordgenlibs-2.0.3 -DRDK_USE_URF=OFF -DRDK_USE_FLEXBISON=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_TEST_MULTITHREADED=ON -DRDK_BUILD_CPP_TESTS=ON -DRDK_TEST_MULTITHREADED=ON -DPYTHON_EXECUTABLE=/nix/store/sgbff283p1qfjnhk5yknk14jaq8jagmd-python3-3.9.4/bin/python -DBOOST_ROOT=/nix/store/hix2d5hjvj28w1652kj9s8gz5s07fpk8-boost-1.69.0 -DBoost_NO_SYSTEM_PATHS=ON -DBoost_NO_BOOST_CMAKE=TRUE -DPYTHON_NUMPY_INCLUDE_PATH=/nix/store/f1xzg8fvpc8dxcf5m5sb372y91sscrx7-python3.9-numpy-1.20.3/lib/python3.9/site-packages/numpy/core/include -DFREESASA_DIR=/build/source/External/FreeSASA/freesasa -DFREESASA_SRC_DIR=/build/source/External/FreeSASA/freesasa -DAVALONTOOLS_DIR=/build/source/External/AvalonTools/avalon -- The C compiler identification is GNU 10.3.0 -- The CXX compiler identification is GNU 10.3.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /nix/store/fdy0bnh3x01rysv3cig42wq3sfcqf0zz-gcc-wrapper-10.3.0/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /nix/store/fdy0bnh3x01rysv3cig42wq3sfcqf0zz-gcc-wrapper-10.3.0/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Found Catch2: /nix/store/v7sp9y8hrd57jh6j65sik7nxvvbgkk8q-catch-1.12.2/include/catch CATCH: /nix/store/v7sp9y8hrd57jh6j65sik7nxvvbgkk8q-catch-1.12.2/include/catch -- Found PythonInterp: /nix/store/sgbff283p1qfjnhk5yknk14jaq8jagmd-python3-3.9.4/bin/python (found version "3.9.4") -- Found PythonLibs: /nix/store/sgbff283p1qfjnhk5yknk14jaq8jagmd-python3-3.9.4/lib/libpython3.9.so (found version "3.9.4") CMake Warning at /nix/store/186fa5snplvdlvimx0jgw88ls2v62zxv-cmake-3.19.7/share/cmake-3.19/Modules/FindBoost.cmake:2049 (message): No header defined for python-py39; skipping header check (note: header-only libraries have no designated component) Call Stack (most recent call first): CMakeLists.txt:279 (find_package) Python Install directory /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages PYTHON Py_ENABLE_SHARED: 1 PYTHON USING LINK LINE: -pthread -shared -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-zlib-1.2.11/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-bzip2-1.0.6.0.2/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-expat-2.4.1/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-xz-5.2.5/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-libffi-3.3/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-gdbm-1.20/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-sqlite-3.35.5/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-readline-6.3p08/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-ncurses-6.2/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-openssl-1.1.1k/lib -L/nix/store/23yl5hcs3rs58v9xkf5w10wrakavqswi-tzdata-2021a/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-zlib-1.2.11/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-bzip2-1.0.6.0.2/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-expat-2.4.1/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-xz-5.2.5/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-libffi-3.3/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-gdbm-1.20/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-sqlite-3.35.5/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-readline-6.3p08/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-ncurses-6.2/lib -L/nix/store/eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee-openssl-1.1.1k/lib -L/nix/store/23yl5hcs3rs58v9xkf5w10wrakavqswi-tzdata-2021a/lib -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Found Boost: /nix/store/mxrrzv6jkklhv3k7zjhqqq7047dalcp1-boost-1.69.0-dev/include (found suitable version "1.69.0", minimum required is "1.58.0") found components: serialization == Using strict rotor definition -- Found Boost: /nix/store/mxrrzv6jkklhv3k7zjhqqq7047dalcp1-boost-1.69.0-dev/include (found suitable version "1.69.0", minimum required is "1.58.0") found components: system iostreams regex -- maeparser include dir set as '/nix/store/6q3zlrzqdnh1nb5yq17vn6794421wvzj-maeparser-1.2.4/include' -- maeparser libraries set as '/nix/store/6q3zlrzqdnh1nb5yq17vn6794421wvzj-maeparser-1.2.4/lib/libmaeparser.so' -- Found maeparser: /nix/store/6q3zlrzqdnh1nb5yq17vn6794421wvzj-maeparser-1.2.4/include -- coordgen include dir set as /nix/store/yq9630ra2zzxjk3n45azwgdg1yxsdkhh-coordgenlibs-2.0.3/include -- coordgen libraries set as '/nix/store/yq9630ra2zzxjk3n45azwgdg1yxsdkhh-coordgenlibs-2.0.3/lib/libcoordgen.so' -- Found coordgen: /nix/store/yq9630ra2zzxjk3n45azwgdg1yxsdkhh-coordgenlibs-2.0.3/include YAeHMOP include_dirs: /build/source/build/include YAeHMOP link_dirs: /build/source/build/lib /build/source/External/YAeHMOP/src/yaehmop_project-build -- Found Boost: /nix/store/mxrrzv6jkklhv3k7zjhqqq7047dalcp1-boost-1.69.0-dev/include (found suitable version "1.69.0", minimum required is "1.58.0") found components: iostreams regex -- Found Boost: /nix/store/mxrrzv6jkklhv3k7zjhqqq7047dalcp1-boost-1.69.0-dev/include (found suitable version "1.69.0", minimum required is "1.58.0") found components: system iostreams regex -- Found ZLIB: /nix/store/vh5k4xa2zk5l5yrbppa4xjilqmb79ncp-zlib-1.2.11/lib/libz.so (found version "1.2.11") == Updating Filters.cpp from pains file == Done updating pains files -- Could NOT find PkgConfig (missing: PKG_CONFIG_EXECUTABLE) -- Found Cairo: /nix/store/fav5c6azsiyz9y0jfspmc9pfhkl35zgg-cairo-1.16.0-dev/include/cairo -- Found Freetype: /nix/store/bik35djlcdi5cjnbi890lk2qfp8kykd2-freetype-2.10.4/lib/libfreetype.so (found version "2.10.4") -- Found RapidJSON source in /build/source/External -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_INSTALL_BINDIR CMAKE_INSTALL_DOCDIR CMAKE_INSTALL_INCLUDEDIR CMAKE_INSTALL_INFODIR CMAKE_INSTALL_LIBDIR CMAKE_INSTALL_LIBEXECDIR CMAKE_INSTALL_LOCALEDIR CMAKE_INSTALL_MANDIR CMAKE_INSTALL_OLDINCLUDEDIR CMAKE_INSTALL_SBINDIR CMAKE_POLICY_DEFAULT_CMP0025 FREESASA_DIR -- Build files have been written to: /build/source/build cmake: enabled parallel building building build flags: -j48 -l48 SHELL=/nix/store/x0dcb2rxlzf32g0ddfkqqz1sfcyx4yay-bash-4.4-p23/bin/bash Scanning dependencies of target catch Scanning dependencies of target inchi_support Scanning dependencies of target coordgen_support Scanning dependencies of target yaehmop_project Scanning dependencies of target ringdecomposerlib_support [ 0%] Built target catch [ 0%] Creating directories for 'yaehmop_project' [ 0%] Built target coordgen_support [ 0%] Built target ringdecomposerlib_support [ 0%] Built target inchi_support Scanning dependencies of target RDGeneral Scanning dependencies of target avalon_clib Scanning dependencies of target RDStreams Scanning dependencies of target freesasa_clib Scanning dependencies of target hc [ 0%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o [ 0%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o [ 0%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o [ 0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o [ 0%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier.c.o [ 0%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_naccess.c.o [ 0%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_oons.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/freesasa2.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_protor.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/coord.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/lexer.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/parser.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/log.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/nb.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/node.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/pdb.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/rsa.c.o [ 1%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/sasa_lr.c.o [ 2%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/sasa_sr.c.o [ 2%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/selection.c.o [ 2%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/structure.c.o [ 2%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/util.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/layout.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/patclean.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/symboltable.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/utilities.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/symbol_lists.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/stereo.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/set.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/perceive.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/graph.c.o [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/geometry.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/local.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/forio.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/depictutil.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/casutils.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/ssmatch.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/denormal.c.o [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/rtutils.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/smi2mol.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/didepict.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/pattern.c.o [ 5%] Performing download step for 'yaehmop_project' [ 5%] No update step for 'yaehmop_project' [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/canonizer.c.o [ 5%] No patch step for 'yaehmop_project' [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/aacheck.c.o /build/source/External/AvalonTools/avalon/common/pattern.c: In function ‘ReadAugmentedAtoms’: /build/source/External/AvalonTools/avalon/common/pattern.c:754:4: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 754 | fscanf(fp,"%d",natomp); | ^~~~~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/pattern.c:756:4: warning: ignoring return value of ‘fgets’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 756 | fgets(buffer,80,fp); | ^~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/pattern.c:774:7: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 774 | fscanf(fp,"%499[^\"]",atom_string); SearchChar(fp,'\n'); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/fixcharges.c.o /build/source/External/AvalonTools/avalon/common/pattern.c: In function ‘ReadAAPairs’: /build/source/External/AvalonTools/avalon/common/pattern.c:806:4: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 806 | fscanf(fp,"%d",ntransp); | ^~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/pattern.c:808:4: warning: ignoring return value of ‘fgets’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 808 | fgets(buffer,80,fp); | ^~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/pattern.c:824:27: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 824 | SearchChar(fp,'"'); fscanf(fp,"%999[^\"]",trans_string); SearchChar(fp,'"'); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/pattern.c:831:27: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 831 | SearchChar(fp,'"'); fscanf(fp,"%999[^\"]",trans_string); SearchChar(fp,'\n'); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/struchk.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/reaccsio.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/hashcode.c.o [ 5%] Performing configure step for 'yaehmop_project' CMake Deprecation Warning at CMakeLists.txt:1 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake. Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions. /build/source/External/AvalonTools/avalon/common/layout.c: In function ‘ImproveFragmentByBondFlip’: /build/source/External/AvalonTools/avalon/common/layout.c:3592:4: warning: implicit declaration of function ‘FloodInvertColor’; did you mean ‘FloodClearColor’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 3592 | FloodInvertColor(mp, nbp, bp->atoms[0]-1, color, bp); | ^~~~~~~~~~~~~~~~ | FloodClearColor /build/source/External/AvalonTools/avalon/common/layout.c:3598:7: warning: implicit declaration of function ‘ChangeAtomColors’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 3598 | ChangeAtomColors(mp, -color, color); | ^~~~~~~~~~~~~~~~ [ 5%] Linking C shared library ../../../../lib/libRDKithc.so In file included from /nix/store/hgjn8fzxnkr03fav3yaf4fp0d8vmqbjj-glibc-2.32-48-dev/include/string.h:519, from /build/source/External/AvalonTools/avalon/common/local.c:42: In function ‘strncpy’, inlined from ‘ReplaceOnce’ at /build/source/External/AvalonTools/avalon/common/local.c:618:7: /nix/store/hgjn8fzxnkr03fav3yaf4fp0d8vmqbjj-glibc-2.32-48-dev/include/bits/string_fortified.h:91:10: warning: ‘__builtin_strncpy’ specified bound depends on the length of the source argument [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wstringop-overflow=-Wstringop-overflow=8;;] 91 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/AvalonTools/avalon/common/local.c: In function ‘ReplaceOnce’: /build/source/External/AvalonTools/avalon/common/local.c:616:24: note: length computed here 616 | if (strlen(from) >= strlen(to)) | ^~~~~~~~~~ -- The C compiler identification is GNU 10.3.0 In file included from /nix/store/hgjn8fzxnkr03fav3yaf4fp0d8vmqbjj-glibc-2.32-48-dev/include/string.h:519, from /build/source/External/FreeSASA/freesasa/src/freesasa_internal.h:10, from /build/source/External/FreeSASA/freesasa/src/selection.c:9: In function ‘strncpy’, inlined from ‘select_area_impl’ at /build/source/External/FreeSASA/freesasa/src/selection.c:694:17: /nix/store/hgjn8fzxnkr03fav3yaf4fp0d8vmqbjj-glibc-2.32-48-dev/include/bits/string_fortified.h:91:10: warning: ‘__builtin_strncpy’ specified bound depends on the length of the source argument [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wstringop-overflow=-Wstringop-overflow=8;;] 91 | return __builtin___strncpy_chk (__dest, __src, __len, __bos (__dest)); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/FreeSASA/freesasa/src/selection.c: In function ‘select_area_impl’: /build/source/External/FreeSASA/freesasa/src/selection.c:688:19: note: length computed here 688 | len = strlen(selection->name); | ^~~~~~~~~~~~~~~~~~~~~~~ [ 5%] Built target hc -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /nix/store/fdy0bnh3x01rysv3cig42wq3sfcqf0zz-gcc-wrapper-10.3.0/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Parameter file is currently set to /build/source/External/YAeHMOP/yaehmop/tightbind/eht_parms.dat -- Change the parameter file with -DPARM_FILE_LOC= -- Writing bind binary to "bind" -- Use -DBIND_EXE_NAME= to modify -- Configuring done -- Generating done -- Build files have been written to: /build/source/External/YAeHMOP/src/yaehmop_project-build [ 5%] Linking C shared library ../../lib/libRDKitfreesasa_clib.so [ 5%] Performing build step for 'yaehmop_project' Scanning dependencies of target yaehmop_eht [ 2%] Building C object CMakeFiles/yaehmop_eht.dir/abfns.c.o [ 4%] Building C object CMakeFiles/yaehmop_eht.dir/avg_props.c.o [ 6%] Building C object CMakeFiles/yaehmop_eht.dir/bands.c.o [ 8%] Building C object CMakeFiles/yaehmop_eht.dir/charge_mat.c.o [ 10%] Building C object CMakeFiles/yaehmop_eht.dir/chg_it.c.o [ 13%] Building C object CMakeFiles/yaehmop_eht.dir/COOP_stuff.c.o [ 15%] Building C object CMakeFiles/yaehmop_eht.dir/distance_mat.c.o [ 17%] Building C object CMakeFiles/yaehmop_eht.dir/driver.c.o [ 19%] Building C object CMakeFiles/yaehmop_eht.dir/DOS_stuff.c.o [ 21%] Building C object CMakeFiles/yaehmop_eht.dir/electrostat.c.o [ 23%] Building C object CMakeFiles/yaehmop_eht.dir/fileio.c.o [ 26%] Building C object CMakeFiles/yaehmop_eht.dir/FMO_stuff.c.o [ 28%] Building C object CMakeFiles/yaehmop_eht.dir/genutil.c.o [ 30%] Building C object CMakeFiles/yaehmop_eht.dir/geom_frags.c.o [ 32%] Building C object CMakeFiles/yaehmop_eht.dir/globals.c.o [ 34%] Building C object CMakeFiles/yaehmop_eht.dir/K_hamil.c.o [ 36%] Building C object CMakeFiles/yaehmop_eht.dir/K_overlap_mat.c.o [ 39%] Building C object CMakeFiles/yaehmop_eht.dir/kpoints.c.o [ 41%] Building C object CMakeFiles/yaehmop_eht.dir/lovlap.c.o [ 43%] Building C object CMakeFiles/yaehmop_eht.dir/matrices.c.o [ 45%] Building C object CMakeFiles/yaehmop_eht.dir/memory.c.o [ 47%] Building C object CMakeFiles/yaehmop_eht.dir/mod_mulliken.c.o [ 50%] Building C object CMakeFiles/yaehmop_eht.dir/mov.c.o [ 52%] Building C object CMakeFiles/yaehmop_eht.dir/mulliken.c.o [ 54%] Building C object CMakeFiles/yaehmop_eht.dir/muller.c.o [ 56%] Building C object CMakeFiles/yaehmop_eht.dir/netCDF_support.c.o [ 58%] Building C object CMakeFiles/yaehmop_eht.dir/new3_fileio.c.o [ 60%] Building C object CMakeFiles/yaehmop_eht.dir/postprocess.c.o [ 63%] Building C object CMakeFiles/yaehmop_eht.dir/princ_axes.c.o [ 65%] Building C object CMakeFiles/yaehmop_eht.dir/R_hamil.c.o [ 67%] Building C object CMakeFiles/yaehmop_eht.dir/R_overlap_mat.c.o [ 69%] Building C object CMakeFiles/yaehmop_eht.dir/recip_space.c.o [ 5%] Built target freesasa_clib [ 71%] Building C object CMakeFiles/yaehmop_eht.dir/solid_symmetry.c.o [ 73%] Building C object CMakeFiles/yaehmop_eht.dir/symmetry.c.o /build/source/External/YAeHMOP/yaehmop/tightbind/distance_mat.c: In function ‘dump_distance_mats’: /build/source/External/YAeHMOP/yaehmop/tightbind/distance_mat.c:500:3: warning: implicit declaration of function ‘write’; did you mean ‘fwrite’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 500 | write(matfile,(const char *)&(cell->dim),sizeof(int)); | ^~~~~ | fwrite /build/source/External/YAeHMOP/yaehmop/tightbind/distance_mat.c:677:3: warning: implicit declaration of function ‘close’; did you mean ‘pclose’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 677 | close(matfile); | ^~~~~ | pclose /build/source/External/YAeHMOP/yaehmop/tightbind/kpoints.c: In function ‘loop_over_k_points’: /build/source/External/YAeHMOP/yaehmop/tightbind/kpoints.c:276:9: warning: implicit declaration of function ‘write’; did you mean ‘fwrite’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 276 | write(overlap_file,(const char *)&num_KPOINTS,sizeof(int)); | ^~~~~ | fwrite /build/source/External/YAeHMOP/yaehmop/tightbind/kpoints.c:542:29: warning: implicit declaration of function ‘close’; did you mean ‘pclose’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 542 | if( details->dump_hamil ) close(hamil_file); | ^~~~~ | pclose [ 76%] Building C object CMakeFiles/yaehmop_eht.dir/transforms.c.o /build/source/External/YAeHMOP/yaehmop/tightbind/genutil.c: In function ‘dump_hermetian_mat’: /build/source/External/YAeHMOP/yaehmop/tightbind/genutil.c:1576:3: warning: implicit declaration of function ‘write’; did you mean ‘fwrite’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 1576 | write(file,(const char *)mat,num_orbs*num_orbs*sizeof(real)); | ^~~~~ | fwrite /build/source/External/YAeHMOP/yaehmop/tightbind/postprocess.c: In function ‘postprocess_FCO’: /build/source/External/YAeHMOP/yaehmop/tightbind/postprocess.c:338:7: warning: implicit declaration of function ‘write’; did you mean ‘fwrite’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 338 | write(FCO_file,(const char *)&(test_int),sizeof(int)); | ^~~~~ | fwrite /build/source/External/YAeHMOP/yaehmop/tightbind/genutil.c: In function ‘skipcomments’: /build/source/External/YAeHMOP/yaehmop/tightbind/genutil.c:869:3: warning: ignoring return value of ‘fgets’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 869 | fgets(string,MAX_STR_LEN,file); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/YAeHMOP/yaehmop/tightbind/genutil.c:880:5: warning: ignoring return value of ‘fgets’ declared with attribute ‘warn_unused_result’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-result-Wunused-result8;;] 880 | fgets(string,MAX_STR_LEN,file); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/source/External/YAeHMOP/yaehmop/tightbind/postprocess.c: In function ‘postprocess_results’: /build/source/External/YAeHMOP/yaehmop/tightbind/postprocess.c:742:7: warning: implicit declaration of function ‘reduced_charge_mat’; did you mean ‘reduced_charge_matrix’? [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wimplicit-function-declaration-Wimplicit-function-declaration8;;] 742 | reduced_charge_mat(cell->num_atoms,num_orbs,orbital_lookup_table, | ^~~~~~~~~~~~~~~~~~ | reduced_charge_matrix [ 78%] Building C object CMakeFiles/yaehmop_eht.dir/walsh.c.o [ 80%] Building C object CMakeFiles/yaehmop_eht.dir/xtal_coords.c.o [ 82%] Building C object CMakeFiles/yaehmop_eht.dir/zetas.c.o [ 84%] Building C object CMakeFiles/yaehmop_eht.dir/Zmat.c.o [ 86%] Building C object CMakeFiles/yaehmop_eht.dir/cboris.c.o [ 89%] Building C object CMakeFiles/yaehmop_eht.dir/diag.c.o [ 91%] Linking C static library libyaehmop_eht.a [ 91%] Built target yaehmop_eht Scanning dependencies of target test_eht Scanning dependencies of target bind [ 93%] Building C object CMakeFiles/test_eht.dir/test_driver.c.o [ 95%] Building C object CMakeFiles/bind.dir/main.c.o [ 97%] Linking C executable bind [100%] Linking C executable test_eht [100%] Built target bind [100%] Built target test_eht [ 5%] Performing install step for 'yaehmop_project' [ 91%] Built target yaehmop_eht [ 95%] Built target test_eht [100%] Built target bind Install the project... -- Install configuration: "" -- Installing: /build/source/build/bin/bind -- Installing: /build/source/build/lib/libyaehmop_eht.a -- Installing: /build/source/build/include/yaehmop/bind.h -- Installing: /build/source/build/include/yaehmop/prototypes.h -- Installing: /build/source/build/include/yaehmop/symmetry.h [ 6%] No test step for 'yaehmop_project' [ 7%] Completed 'yaehmop_project' [ 7%] Built target yaehmop_project [ 8%] Linking C shared library ../../lib/libRDKitavalon_clib.so /nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/ld: CMakeFiles/avalon_clib.dir/avalon/common/reaccsio.c.o: in function `MolToMolStr': reaccsio.c:(.text+0x264c): warning: the use of `tempnam' is dangerous, better use `mkstemp' [ 8%] Built target avalon_clib [ 8%] Linking CXX shared library ../../lib/libRDKitRDStreams.so [ 8%] Built target RDStreams [ 8%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so [ 8%] Built target RDGeneral Scanning dependencies of target DataStructs Scanning dependencies of target EigenSolvers Scanning dependencies of target RDBoost Scanning dependencies of target testConcurrentQueue Scanning dependencies of target testRDValue Scanning dependencies of target testDict Scanning dependencies of target Catalogs Scanning dependencies of target testQuery Scanning dependencies of target testMatCalc Scanning dependencies of target testMatrices Scanning dependencies of target SimDivPickers [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o [ 8%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o [ 8%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o [ 8%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o [ 8%] Building CXX object Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o [ 8%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o [ 8%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o [ 9%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o [ 9%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o [ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o [ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o [ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o [ 10%] Building CXX object 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target testConcurrentQueue [ 11%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so [ 11%] Built target SimDivPickers Scanning dependencies of target testSimDivPickers [ 11%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o [ 11%] Linking CXX shared library ../../../lib/libRDKitEigenSolvers.so [ 11%] Built target EigenSolvers [ 11%] Linking CXX shared library ../../lib/libRDKitDataStructs.so [ 11%] Built target DataStructs Scanning dependencies of target RDGeometryLib Scanning dependencies of target testMultiFPB Scanning dependencies of target testFPB Scanning dependencies of target pickersTestsCatch Scanning dependencies of target testDataStructs [ 11%] Linking CXX executable testMatrices Scanning dependencies of target InfoTheory [ 11%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o [ 12%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o [ 12%] Building CXX object 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dependencies of target rdBase Scanning dependencies of target cDataStructs Scanning dependencies of target rdMetricMatrixCalc Scanning dependencies of target rdSimDivPickers Scanning dependencies of target Clustering [ 15%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o [ 15%] Linking CXX executable testSimDivPickers [ 15%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o [ 15%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o [ 15%] Built target testSimDivPickers [ 15%] Linking CXX executable testRDValue [ 15%] Built target testRDValue [ 15%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so [ 15%] Built target InfoTheory Scanning dependencies of target rdInfoTheory Scanning dependencies of target cQuantize [ 15%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o [ 15%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o [ 15%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o [ 15%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o [ 15%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so [ 15%] Built target RDGeometryLib [ 15%] Linking CXX executable testDict Scanning dependencies of target Alignment Scanning dependencies of target geometryTestsCatch Scanning dependencies of target testGrid Scanning dependencies of target GraphMol Scanning dependencies of target testTransforms Scanning dependencies of target rdGeometry Scanning dependencies of target testConrec Scanning dependencies of target ChemicalFeatures [ 15%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o [ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o [ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o [ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o [ 16%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o [ 16%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o [ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o [ 18%] Built target testDict [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o In file included from /build/source/Code/RDBoost/Wrap/RDBase.cpp:14: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolDiscriminators.cpp.o [ 18%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so [ 18%] Linking CXX executable testFPB [ 18%] Built target Clustering [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o [ 18%] Built target testFPB [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o [ 18%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so [ 18%] Linking CXX executable testMultiFPB [ 18%] Built target ChemicalFeatures [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o [ 18%] Built target testMultiFPB [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o /build/source/Code/GraphMol/FindRings.cpp: In function ‘void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)’: /build/source/Code/GraphMol/FindRings.cpp:1367:36: warning: unused parameter ‘mol’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-parameter-Wunused-parameter8;;] 1367 | void findRingFamilies(const ROMol &mol) { | ~~~~~~~~~~~~~^~~ [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o Scanning dependencies of target testChemicalFeatures [ 19%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o [ 19%] Linking CXX shared library ../../../lib/libRDKitAlignment.so [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o [ 19%] Linking CXX executable testGrid [ 19%] Built target Alignment Scanning dependencies of target testAlignment [ 19%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o [ 19%] Built target testGrid Scanning dependencies of target rdAlignment [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o [ 19%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o /build/source/Code/GraphMol/MolPickler.cpp: In instantiation of ‘static RDKit::Atom* RDKit::MolPickler::_addAtomFromPickle(std::istream&, RDKit::ROMol*, RDGeom::Point3D&, int, bool) [with T = int; std::istream = std::basic_istream]’: /build/source/Code/GraphMol/MolPickler.cpp:1139:39: required from ‘static void RDKit::MolPickler::_depickle(std::istream&, RDKit::ROMol*, int, int) [with T = int; std::istream = std::basic_istream]’ /build/source/Code/GraphMol/MolPickler.cpp:928:59: required from here /build/source/Code/GraphMol/MolPickler.cpp:1684:37: warning: comparison is always false due to limited range of data type [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wtype-limits-Wtype-limits8;;] 1684 | if ((tmpChar < 0 || tmpChar > 127) && version > 9000) { | ~~~~~~~~^~~~~ /build/source/Code/GraphMol/MolPickler.cpp: In instantiation of ‘static RDKit::Atom* RDKit::MolPickler::_addAtomFromPickle(std::istream&, RDKit::ROMol*, RDGeom::Point3D&, int, bool) [with T = unsigned char; std::istream = std::basic_istream]’: /build/source/Code/GraphMol/MolPickler.cpp:1139:39: required from ‘static void RDKit::MolPickler::_depickle(std::istream&, RDKit::ROMol*, int, int) [with T = unsigned char; std::istream = std::basic_istream]’ /build/source/Code/GraphMol/MolPickler.cpp:930:65: required from here /build/source/Code/GraphMol/MolPickler.cpp:1684:37: warning: comparison is always false due to limited range of data type [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wtype-limits-Wtype-limits8;;] [ 19%] Built target rdMetricMatrixCalc [ 20%] Linking CXX executable testTransforms [ 20%] Built target testTransforms [ 20%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so [ 20%] Built target cQuantize [ 20%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o [ 21%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so [ 21%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so [ 21%] Built target rdInfoTheory [ 21%] Built target rdSimDivPickers [ 21%] Linking CXX executable testChemicalFeatures [ 21%] Built target testChemicalFeatures [ 21%] Linking CXX executable testDataStructs [ 21%] Linking CXX executable testAlignment [ 21%] Built target testDataStructs [ 21%] Built target testAlignment [ 21%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so [ 21%] Built target rdGeometry [ 21%] Linking CXX executable pickersTestsCatch [ 21%] Built target pickersTestsCatch [ 21%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so [ 21%] Built target rdAlignment [ 21%] Linking CXX shared library ../../lib/libRDKitGraphMol.so [ 22%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so [ 22%] Built target GraphMol Scanning dependencies of target MolTransforms Scanning dependencies of target SubstructMatch Scanning dependencies of target SmilesParse Scanning dependencies of target Subgraphs Scanning dependencies of target PartialCharges Scanning dependencies of target FreeSASALib Scanning dependencies of target EHTLib Scanning dependencies of target Trajectory Scanning dependencies of target MolCatalog Scanning dependencies of target MolInterchange Scanning dependencies of target CIPLabeler Scanning dependencies of target SLNParse Scanning dependencies of target rdqueries Scanning dependencies of target rdChemicalFeatures [ 22%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o [ 22%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o [ 22%] Building CXX object External/FreeSASA/CMakeFiles/FreeSASALib.dir/RDFreeSASA.cpp.o [ 22%] Building CXX object External/YAeHMOP/CMakeFiles/EHTLib.dir/EHTTools.cpp.o [ 22%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o [ 22%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o [ 22%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o [ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o [ 22%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o [ 22%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o [ 22%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o [ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o [ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o [ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o [ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o [ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o [ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o [ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o [ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o [ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o [ 23%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o [ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o [ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o [ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o [ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o [ 23%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o [ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o [ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o [ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o [ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o [ 26%] Built target cDataStructs [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o [ 26%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o [ 26%] Linking CXX executable testConrec [ 26%] Linking CXX executable geometryTestsCatch [ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o [ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o [ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o [ 27%] Built target testConrec [ 27%] Built target geometryTestsCatch [ 27%] Linking CXX shared library ../../lib/libRDKitEHTLib.so [ 27%] Built target EHTLib Scanning dependencies of target rdEHTTools [ 27%] Building CXX object External/YAeHMOP/Wrap/CMakeFiles/rdEHTTools.dir/rdEHTTools.cpp.o [ 27%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so [ 27%] Built target PartialCharges Scanning dependencies of target rdPartialCharges [ 27%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o [ 27%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so [ 27%] Built target MolCatalog Scanning dependencies of target rdMolCatalog [ 28%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o [ 28%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so [ 28%] Built target Trajectory Scanning dependencies of target Optimizer Scanning dependencies of target rdtrajectory [ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o [ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o [ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o [ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o [ 28%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so [ 28%] Built target Subgraphs [ 28%] Linking CXX shared library ../../lib/libRDKitFreeSASALib.so [ 28%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so [ 28%] Built target FreeSASALib Scanning dependencies of target rdFreeSASA [ 29%] Building CXX object External/FreeSASA/Wrap/CMakeFiles/rdFreeSASA.dir/rdFreeSASA.cpp.o [ 29%] Built target CIPLabeler Scanning dependencies of target rdCIPLabeler [ 29%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o [ 29%] Linking CXX shared module ../../../rdkit/rdBase.so [ 29%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so [ 29%] Built target rdBase [ 29%] Built target rdChemicalFeatures [ 29%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so [ 29%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so [ 29%] Built target MolInterchange [ 29%] Built target MolTransforms Scanning dependencies of target rdMolInterchange Scanning dependencies of target rdMolTransforms Scanning dependencies of target ShapeHelpers [ 29%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o [ 29%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so [ 29%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o [ 29%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o [ 29%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o [ 29%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so [ 29%] Built target Optimizer Scanning dependencies of target testOptimizer Scanning dependencies of target ForceField [ 29%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o [ 29%] Built target SubstructMatch [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o Scanning dependencies of target MolAlign [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o [ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o [ 32%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o [ 32%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so [ 32%] Built target SLNParse Scanning dependencies of target rdSLNParse [ 32%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o [ 32%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so [ 32%] Built target SmilesParse Scanning dependencies of target ChemTransforms Scanning dependencies of target graphmolcpTest Scanning dependencies of target graphmolqueryTest Scanning dependencies of target test-valgrind Scanning dependencies of target graphmolIterTest Scanning dependencies of target smaTest1 Scanning dependencies of target Fingerprints Scanning dependencies of target FilterCatalog Scanning dependencies of target smiTest2 Scanning dependencies of target graphmolMemTest1 Scanning dependencies of target testSubgraphs2 Scanning dependencies of target testSubgraphs1 [ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o [ 32%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o [ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o [ 33%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o [ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o [ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o [ 34%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o [ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o [ 34%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o [ 35%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o [ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o [ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o [ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o [ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o [ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o [ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o [ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o [ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o [ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o [ 37%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o [ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o Scanning dependencies of target FragCatalog Scanning dependencies of target testPartialCharges [ 37%] Built target rdPartialCharges [ 37%] Linking CXX executable testOptimizer [ 37%] Linking CXX shared module ../../../rdkit/Chem/rdEHTTools.so [ 37%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o Scanning dependencies of target MolChemicalFeatures [ 37%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o [ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o [ 38%] Built target testOptimizer [ 38%] Built target rdEHTTools [ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o [ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o [ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o [ 38%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o [ 38%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so [ 39%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so [ 39%] Built target rdqueries Scanning dependencies of target testCIPLabeler [ 39%] Built target rdCIPLabeler Scanning dependencies of target ReducedGraphs [ 39%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o [ 39%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o [ 39%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so Scanning dependencies of target testSLNParse [ 39%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o [ 39%] Built target ShapeHelpers Scanning dependencies of target Abbreviations [ 39%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o [ 40%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so [ 40%] Linking CXX shared library ../../lib/libRDKitForceField.so [ 40%] Built target rdtrajectory [ 40%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o [ 40%] Built target ForceField Scanning dependencies of target rdShapeHelpers [ 40%] Building CXX object 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Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o [ 44%] Linking CXX executable testSubgraphs1 [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o [ 44%] Built target testSubgraphs1 [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o [ 44%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o [ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so [ 45%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o [ 45%] Built target rdMolTransforms [ 45%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so [ 45%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so [ 45%] Built target Fingerprints Scanning dependencies of target rdMHFPFingerprint Scanning dependencies of target rdFingerprintGenerator Scanning dependencies of target SubstructLibrary [ 45%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o [ 45%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o [ 45%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o [ 46%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o [ 46%] Built target ReducedGraphs Scanning dependencies of target testReducedGraphs 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Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o [ 48%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o [ 48%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o [ 48%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o [ 48%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o [ 48%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o [ 48%] Linking CXX executable graphmolqueryTest [ 49%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o [ 49%] Built target graphmolqueryTest In file included from /build/source/Code/GraphMol/Conformer.h:14, from /build/source/Code/GraphMol/ROMol.h:36, from /build/source/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:13: /build/source/Code/Geometry/point.h: In function ‘boost::python::tuple RDKit::getUnionOfTwoBox(boost::python::tuple, boost::python::tuple)’: /build/source/Code/Geometry/point.h:58:31: warning: ‘*((void*)& +40)’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:55: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:31: warning: ‘*((void*)& +40)’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:55: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:31: warning: ‘*((void*)& +40)’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:55: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:31: warning: ‘*((void*)& +40)’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:55: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ [ 49%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so [ 49%] Built target FilterCatalog Scanning dependencies of target rdfiltercatalog [ 49%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o [ 49%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o [ 50%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so [ 50%] Built target FragCatalog [ 50%] Linking CXX shared library ../../../lib/libRDKitDepictor.so [ 50%] Built target Depictor Scanning dependencies of target RDInchiLib Scanning dependencies of target rdDepictor Scanning dependencies of target FileParsers [ 50%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o [ 51%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o [ 51%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so [ 51%] Linking CXX executable testReducedGraphs [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o [ 51%] Building CXX object 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[ 54%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so [ 54%] Linking CXX executable smaTest1 [ 54%] Built target rdReducedGraphs [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o [ 54%] Built target smaTest1 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o [ 54%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o [ 54%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o [ 55%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o [ 55%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so [ 55%] Built target rdMolChemicalFeatures [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o [ 56%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o [ 56%] Built target SubstructLibrary [ 56%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o Scanning dependencies of target rdSubstructLibrary [ 56%] Linking CXX executable testSLNParse [ 56%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o [ 57%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o [ 57%] Built target testSLNParse [ 57%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so [ 57%] Built target DistGeometry Scanning dependencies of target DistGeomHelpers Scanning dependencies of target testDistGeom Scanning dependencies of target DistGeom [ 57%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o [ 57%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o [ 57%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o [ 57%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o [ 57%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so [ 57%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so [ 57%] Built target RDInchiLib [ 57%] Built target rdAbbreviations Scanning dependencies of target rdinchi [ 57%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o [ 57%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so [ 57%] Built target rdDepictor In file included from /build/source/Code/GraphMol/Conformer.h:14, from /build/source/Code/GraphMol/RDKitBase.h:25, from /build/source/Code/GraphMol/Wrap/SubstanceGroup.cpp:17: /build/source/Code/Geometry/point.h: In function ‘void RDKit::{anonymous}::addBracketHelper(RDKit::SubstanceGroup&, boost::python::api::object)’: /build/source/Code/Geometry/point.h:58:31: warning: ‘*((void*)(&)+32).RDGeom::Point3D::x’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:43: warning: ‘*((void*)(&)+32).RDGeom::Point3D::y’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ /build/source/Code/Geometry/point.h:58:55: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 58 | : Point(other), x(other.x), y(other.y), z(other.z) {} | ~~~~~~^ [ 58%] Linking CXX executable testCIPLabeler [ 58%] Built target testCIPLabeler [ 58%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so [ 58%] Built target rdFingerprintGenerator [ 58%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so [ 58%] Linking CXX executable testDistGeom [ 58%] Built target O3AAlign In file included from /build/source/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp:34: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 58%] Built target testDistGeom [ 58%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so [ 58%] Built target rdMHFPFingerprint [ 58%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so [ 58%] Built target rdForceFieldHelpers [ 58%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so [ 58%] Built target DistGeom [ 58%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so [ 58%] Built target DistGeomHelpers [ 58%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so [ 58%] Built target rdinchi [ 58%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so [ 58%] Built target rdForceField [ 58%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so [ 58%] Built target rdchem [ 58%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so [ 58%] Built target rdSubstructLibrary [ 58%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so [ 58%] Built target FileParsers Scanning dependencies of target AvalonLib Scanning dependencies of target testFreeSASALib Scanning dependencies of target Descriptors Scanning dependencies of target testCoordGen Scanning dependencies of target testEHTLib1 Scanning dependencies of target testUFFForceField Scanning dependencies of target testMMFFForceField Scanning dependencies of target chiralityTestsCatch Scanning dependencies of target graphmolSGroupCatch Scanning dependencies of target graphmolTestsCatch Scanning dependencies of target testSGroup Scanning dependencies of target graphmolAdjustQueryCatch Scanning dependencies of target graphmoltestPicklerGlobalSetting Scanning dependencies of target graphmoltestChirality Scanning dependencies of target graphmolTest1 Scanning dependencies of target resMolSupplierTest Scanning dependencies of target molBundleTest Scanning dependencies of target testDepictor Scanning dependencies of target graphmoltestPickler Scanning dependencies of target smiTest1 Scanning dependencies of target hanoiTest Scanning dependencies of target graphmolMolOpsTest Scanning dependencies of target smiTestCatch Scanning dependencies of target cxsmilesTest Scanning dependencies of target testMolWriter Scanning dependencies of target testSequence Scanning dependencies of target fileParsersTest1 Scanning dependencies of target testMolSupplier Scanning dependencies of target testMultithreadedMolSupplier Scanning dependencies of target testExtendedStereoParsing Scanning dependencies of target testGeneralFileReader Scanning dependencies of target testTplParser Scanning dependencies of target testPropertyLists Scanning dependencies of target fileParsersCatchTest Scanning dependencies of target testSubstructMatch Scanning dependencies of target substructTestCatch Scanning dependencies of target testMol2ToMol Scanning dependencies of target filterCatalogTest Scanning dependencies of target chemTransformsTestCatch Scanning dependencies of target testChemTransforms Scanning dependencies of target testFragCatalog Scanning dependencies of target rdfragcatalog [ 58%] Building CXX object External/FreeSASA/CMakeFiles/testFreeSASALib.dir/testFreeSASA.cpp.o Scanning dependencies of target fpTestCatch [ 58%] Building CXX object External/AvalonTools/CMakeFiles/AvalonLib.dir/AvalonTools.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o [ 58%] Building CXX object External/YAeHMOP/CMakeFiles/testEHTLib1.dir/test1.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o Scanning dependencies of target testFingerprintGenerators [ 58%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_main.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o [ 58%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_main.cpp.o [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_main.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/__/catch_main.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o [ 58%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o [ 58%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o [ 58%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o [ 58%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o [ 58%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o [ 58%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o [ 59%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o [ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o [ 59%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o [ 59%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o [ 60%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o [ 60%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o [ 60%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o [ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o [ 60%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so [ 60%] Built target rdfiltercatalog Scanning dependencies of target testMHFPFingerprint [ 60%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o In file included from /build/source/Code/GraphMol/catch_adjustquery.cpp:12: /build/source/Code/GraphMol/catch_adjustquery.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____7()’: /build/source/Code/GraphMol/catch_adjustquery.cpp:349:74: warning: catching polymorphic type ‘class ValueErrorException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 349 | CHECK_THROWS_AS(MolOps::parseAdjustQueryParametersFromJSON(ps, json),ValueErrorException); | ^~~~~~~~~~~~~~~~~~~ In file included from /build/source/Code/GraphMol/catch_graphmol.cpp:12: /build/source/Code/GraphMol/catch_graphmol.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____32()’: /build/source/Code/GraphMol/catch_graphmol.cpp:241:41: warning: catching polymorphic type ‘class RDKit::MolSanitizeException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 241 | CHECK_THROWS_AS(SmilesToMol(smi), MolSanitizeException); | ^~~~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/catch_graphmol.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____45()’: /build/source/Code/GraphMol/catch_graphmol.cpp:356:46: warning: catching polymorphic type ‘class RDKit::AtomValenceException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 356 | CHECK_THROWS_AS(SmilesToMol(pr.first), AtomValenceException); | ^~~~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/catch_graphmol.cpp:370:46: warning: catching polymorphic type ‘class RDKit::AtomKekulizeException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 370 | CHECK_THROWS_AS(SmilesToMol(pr.first), AtomKekulizeException); | ^~~~~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/catch_graphmol.cpp:384:46: warning: catching polymorphic type ‘class RDKit::KekulizeException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 384 | CHECK_THROWS_AS(SmilesToMol(pr.first), KekulizeException); | ^~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/catch_graphmol.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____80()’: /build/source/Code/GraphMol/catch_graphmol.cpp:835:47: warning: catching polymorphic type ‘class RDKit::AtomValenceException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 835 | CHECK_THROWS_AS(m->updatePropertyCache(), AtomValenceException); | ^~~~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/catch_graphmol.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____137()’: /build/source/Code/GraphMol/catch_graphmol.cpp:1396:46: warning: catching polymorphic type ‘class RDKit::AtomValenceException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 1396 | CHECK_THROWS_AS(m.updatePropertyCache(), AtomValenceException); | ^~~~~~~~~~~~~~~~~~~~ In file included from /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp:11: /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____93()’: /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp:1720:50: warning: catching polymorphic type ‘class RDKit::FileParseException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 1720 | REQUIRE_THROWS_AS(PNGStringToMetadata(text), FileParseException); | ^~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp:1737:23: warning: catching polymorphic type ‘class RDKit::FileParseException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 1737 | FileParseException); | ^~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____103()’: /build/source/Code/GraphMol/FileParsers/file_parsers_catch.cpp:1810:44: warning: catching polymorphic type ‘class RDKit::FileParseException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 1810 | REQUIRE_THROWS_AS(PNGFileToMol(fname), FileParseException); | ^~~~~~~~~~~~~~~~~~ [ 60%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o /build/source/Code/GraphMol/FileParsers/testMolSupplier.cpp: In function ‘void testGitHub3517()’: /build/source/Code/GraphMol/FileParsers/testMolSupplier.cpp:2831:10: warning: unused variable ‘l’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wunused-variable-Wunused-variable8;;] 2831 | size_t l = sdsup.length(); | ^ [ 60%] Linking CXX executable testSequence [ 60%] Linking CXX executable testExtendedStereoParsing [ 60%] Built target testSequence [ 60%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o [ 60%] Built target testExtendedStereoParsing [ 61%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o [ 61%] Linking CXX shared library ../../lib/libRDKitAvalonLib.so [ 61%] Built target AvalonLib Scanning dependencies of target testFingerprints [ 61%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o [ 61%] Linking CXX executable testFreeSASALib [ 61%] Linking CXX executable testMol2ToMol [ 61%] Built target testFreeSASALib Scanning dependencies of target testMolTransforms [ 61%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o [ 61%] Built target testMol2ToMol Scanning dependencies of target testMMFFForceFieldHelpersMultiThread [ 61%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o [ 61%] Linking CXX executable molBundleTest [ 61%] Built target molBundleTest [ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o Scanning dependencies of target testMMFFForceFieldHelpers [ 61%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o [ 61%] Linking CXX executable testMultithreadedMolSupplier [ 61%] Linking CXX executable testTplParser [ 61%] Built target testMultithreadedMolSupplier Scanning dependencies of target testUFFForceFieldHelpers [ 61%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o [ 61%] Built target testTplParser [ 61%] Linking CXX executable testFragCatalog Scanning dependencies of target testCrystalForceField [ 61%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o [ 61%] Linking CXX executable filterCatalogTest [ 61%] Linking CXX executable resMolSupplierTest [ 61%] Built target testFragCatalog Scanning dependencies of target testDistGeomHelpers [ 61%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o [ 61%] Linking CXX executable testGeneralFileReader [ 61%] Built target filterCatalogTest [ 61%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o [ 61%] Built target resMolSupplierTest Scanning dependencies of target rdDistGeom [ 61%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o [ 61%] Linking CXX executable testMHFPFingerprint [ 61%] Built target testGeneralFileReader Scanning dependencies of target testFeatures [ 61%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o [ 61%] Built target testMHFPFingerprint Scanning dependencies of target testShapeHelpers [ 61%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o Scanning dependencies of target testMolCatalog [ 61%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o [ 62%] Linking CXX executable cxsmilesTest [ 62%] Linking CXX executable graphmoltestPicklerGlobalSetting [ 63%] Linking CXX executable testDepictor [ 63%] Built target cxsmilesTest Scanning dependencies of target FMCS [ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o [ 63%] Built target graphmoltestPicklerGlobalSetting Scanning dependencies of target MMPA [ 63%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o [ 64%] Linking CXX executable hanoiTest [ 64%] Built target testDepictor Scanning dependencies of target trajectoryTest [ 64%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o [ 64%] Built target hanoiTest Scanning dependencies of target substructLibraryTest [ 64%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o Scanning dependencies of target molInterchangeTest1 [ 64%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o [ 64%] Linking CXX executable testCoordGen [ 64%] Linking CXX executable testUFFForceField [ 64%] Built target testCoordGen Scanning dependencies of target rdmolfiles [ 64%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o [ 64%] Built target testUFFForceField Scanning dependencies of target testAbbreviations [ 64%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/__/catch_main.cpp.o [ 64%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/catch_main.cpp.o [ 65%] Linking CXX executable graphmolSGroupCatch [ 65%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o [ 65%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o [ 65%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o [ 65%] Built target graphmolSGroupCatch Scanning dependencies of target testAvalonLib1 [ 66%] Building CXX object External/AvalonTools/CMakeFiles/testAvalonLib1.dir/test1.cpp.o [ 66%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o [ 66%] Linking CXX executable testMolWriter [ 67%] Linking CXX executable graphmolAdjustQueryCatch [ 67%] Linking CXX executable testSGroup [ 67%] Linking CXX executable testMMFFForceFieldHelpersMultiThread [ 67%] Linking CXX executable testSubstructMatch [ 67%] Linking CXX executable testCrystalForceField [ 67%] Built target testMolWriter Scanning dependencies of target pyAvalonTools [ 67%] Built target graphmolAdjustQueryCatch [ 67%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o [ 68%] Building CXX object External/AvalonTools/Wrap/CMakeFiles/pyAvalonTools.dir/pyAvalonTools.cpp.o [ 68%] Built target testMMFFForceFieldHelpersMultiThread [ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o [ 68%] Built target testSGroup [ 68%] Linking CXX executable testMolTransforms [ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o [ 68%] Built target testSubstructMatch [ 68%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o [ 68%] Built target testCrystalForceField [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o [ 69%] Linking CXX executable testShapeHelpers [ 69%] Built target testMolTransforms [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o [ 69%] Built target testShapeHelpers [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o [ 69%] Linking CXX executable testChemTransforms [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o [ 69%] Built target testChemTransforms [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o [ 69%] Linking CXX executable testMolCatalog [ 69%] Linking CXX executable testFingerprintGenerators [ 69%] Linking CXX executable graphmolTest1 [ 69%] Built target testMolCatalog [ 69%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_main.cpp.o [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o [ 69%] Linking CXX executable trajectoryTest [ 69%] Built target testFingerprintGenerators [ 69%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/catch_main.cpp.o [ 69%] Built target graphmolTest1 [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o [ 69%] Built target trajectoryTest [ 69%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o [ 69%] Linking CXX shared library ../../../lib/libRDKitMMPA.so [ 69%] Linking CXX executable substructLibraryTest [ 69%] Linking CXX executable chiralityTestsCatch [ 69%] Linking CXX executable graphmoltestPickler [ 69%] Built target MMPA Scanning dependencies of target testMMPA [ 69%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o [ 69%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so [ 69%] Built target graphmoltestPickler [ 69%] Built target substructLibraryTest [ 69%] Built target chiralityTestsCatch Scanning dependencies of target rdMMPA [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o [ 70%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o [ 70%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o [ 70%] Built target rdfragcatalog [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o [ 71%] Linking CXX executable testMMFFForceFieldHelpers [ 71%] Built target testMMFFForceFieldHelpers [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o [ 71%] Linking CXX executable testMMFFForceField [ 71%] Linking CXX executable chemTransformsTestCatch [ 71%] Linking CXX executable testFeatures [ 71%] Built target testMMFFForceField [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o [ 71%] Linking CXX executable fpTestCatch [ 71%] Linking CXX executable testEHTLib1 [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o [ 71%] Built target chemTransformsTestCatch [ 71%] Built target testFeatures [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o [ 71%] Linking CXX executable molInterchangeTest1 [ 71%] Built target fpTestCatch [ 71%] Built target testEHTLib1 [ 71%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o [ 72%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o [ 73%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o [ 73%] Built target molInterchangeTest1 [ 73%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o [ 73%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o [ 73%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o In file included from /build/source/Code/GraphMol/Wrap/MaeMolSupplier.cpp:22: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Linking CXX executable substructTestCatch [ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o [ 74%] Built target substructTestCatch [ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o [ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o In file included from /build/source/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp:22: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Linking CXX executable testAvalonLib1 [ 74%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o /nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/ld: CMakeFiles/testAvalonLib1.dir/test1.cpp.o: in function `testInitStruChk()': test1.cpp:(.text+0x84db): warning: the use of `tmpnam' is dangerous, better use `mkstemp' [ 74%] Built target testAvalonLib1 [ 74%] Linking CXX executable testUFFForceFieldHelpers [ 74%] Built target testUFFForceFieldHelpers [ 74%] Linking CXX executable testMolSupplier [ 74%] Built target testMolSupplier [ 74%] Linking CXX executable testMMPA [ 74%] Built target testMMPA [ 74%] Linking CXX shared module ../../../rdkit/Avalon/pyAvalonTools.so [ 74%] Built target pyAvalonTools [ 74%] Linking CXX executable testAbbreviations [ 74%] Built target testAbbreviations [ 74%] Linking CXX executable testDistGeomHelpers [ 74%] Linking CXX executable graphmoltestChirality [ 74%] Built target testDistGeomHelpers [ 74%] Built target graphmoltestChirality [ 74%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so In file included from /build/source/Code/GraphMol/Wrap/SmilesWriter.cpp:20: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Built target rdDistGeom In file included from /build/source/Code/GraphMol/Wrap/SDWriter.cpp:21: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so In file included from /build/source/Code/GraphMol/Wrap/TDTWriter.cpp:21: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ In file included from /build/source/Code/GraphMol/Wrap/PDBWriter.cpp:20: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Built target rdMMPA In file included from /build/source/Code/GraphMol/Wrap/MultithreadedMolSupplier.h:15, from /build/source/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp:23: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ In file included from /build/source/Code/GraphMol/Wrap/MultithreadedMolSupplier.h:15, from /build/source/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp:23: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 74%] Linking CXX executable testPropertyLists [ 74%] Built target testPropertyLists [ 74%] Linking CXX executable smiTestCatch [ 74%] Linking CXX executable smiTest1 [ 74%] Built target smiTestCatch [ 74%] Built target smiTest1 [ 74%] Linking CXX executable graphmolTestsCatch [ 74%] Built target graphmolTestsCatch [ 74%] Linking CXX executable fileParsersCatchTest [ 75%] Linking CXX executable testFingerprints [ 75%] Built target fileParsersCatchTest [ 75%] Built target testFingerprints [ 75%] Linking CXX shared library ../../../lib/libRDKitFMCS.so [ 75%] Built target FMCS Scanning dependencies of target testFMCS Scanning dependencies of target rdFMCS Scanning dependencies of target FMCStest Scanning dependencies of target RGroupDecomposition [ 76%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o [ 77%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o [ 77%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o [ 78%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o [ 78%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o [ 78%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o [ 78%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o [ 78%] Linking CXX executable fileParsersTest1 [ 78%] Built target fileParsersTest1 [ 79%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so [ 79%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so [ 79%] Built target Descriptors Scanning dependencies of target testInchi Scanning dependencies of target testCoulombMat Scanning dependencies of target ChemReactions Scanning dependencies of target testAUTOCORR3D Scanning dependencies of target testMORSE Scanning dependencies of target testAUTOCORR2D Scanning dependencies of target testGETAWAY Scanning dependencies of target testDescriptors Scanning dependencies of target testATF Scanning dependencies of target testEEM Scanning dependencies of target test3D Scanning dependencies of target testRDFcustom Scanning dependencies of target testPBF Scanning dependencies of target testBCUT Scanning dependencies of target testRDF Scanning dependencies of target testWHIM Scanning dependencies of target rdMolDescriptors Scanning dependencies of target testO3AAlign Scanning dependencies of target testMolAlign Scanning dependencies of target rdMolAlign Scanning dependencies of target MolHash [ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o [ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o [ 79%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o [ 80%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o [ 80%] Building CXX object External/INCHI-API/CMakeFiles/testInchi.dir/test.cpp.o [ 80%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o [ 80%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o [ 81%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o [ 81%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o [ 81%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o [ 81%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o [ 81%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o [ 81%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o [ 82%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o [ 83%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o [ 83%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o [ 83%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o [ 83%] Built target rdmolfiles [ 83%] Linking CXX executable FMCStest [ 83%] Built target FMCStest [ 83%] Linking CXX executable testFMCS [ 83%] Built target testFMCS [ 83%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so [ 83%] Linking CXX executable testATF [ 83%] Built target RGroupDecomposition Scanning dependencies of target testRGroupDecomp Scanning dependencies of target rdRGroupDecomposition [ 83%] Building CXX object 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molHashCatchTest Scanning dependencies of target rdMolHash [ 85%] Built target testCoulombMat [ 86%] Linking CXX executable testPBF [ 86%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o [ 86%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o [ 86%] Built target testPBF [ 86%] Linking CXX executable testRDFcustom [ 86%] Linking CXX executable testMolAlign [ 86%] Linking CXX executable test3D [ 86%] Built target testRDFcustom [ 86%] Built target testMolAlign [ 86%] Linking CXX executable graphmolMolOpsTest [ 86%] Built target test3D [ 86%] Built target graphmolMolOpsTest [ 86%] Linking CXX executable testInchi [ 86%] Built target testInchi [ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so [ 86%] Built target rdFMCS [ 86%] Linking CXX executable testO3AAlign [ 86%] Built target testO3AAlign In file included from /build/source/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp:47: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 86%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so [ 86%] Built target ChemReactions Scanning dependencies of target rxnTestCatch Scanning dependencies of target testEnumeration Scanning dependencies of target testReactionFingerprints Scanning dependencies of target testReaction Scanning dependencies of target rdChemReactions Scanning dependencies of target MolStandardize Scanning dependencies of target Deprotect Scanning dependencies of target MolDraw2D Scanning dependencies of target MolEnumerator [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o [ 87%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o [ 87%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o [ 87%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o [ 87%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o [ 87%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o [ 87%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o [ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o [ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o [ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o [ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o [ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o [ 89%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o [ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o [ 91%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o [ 91%] Linking CXX executable testRGroupDecomp [ 91%] Built target testRGroupDecomp [ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so [ 91%] Built target rdMolHash In file included from /build/source/Code/GraphMol/Conformer.h:14, from /build/source/Code/GraphMol/ROMol.h:36, from /build/source/Code/GraphMol/GraphMol.h:19, from /build/source/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:12: /build/source/Code/Geometry/point.h: In function ‘boost::python::list {anonymous}::GetUSRDistributionsFromPoints(boost::python::api::object, boost::python::api::object)’: /build/source/Code/Geometry/point.h:87:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::x’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 87 | x = other.x; | ~~~~~~^ /build/source/Code/Geometry/point.h:88:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::y’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 88 | y = other.y; | ~~~~~~^ /build/source/Code/Geometry/point.h:89:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 89 | z = other.z; | ~~~~~~^ /build/source/Code/Geometry/point.h: In function ‘boost::python::list {anonymous}::GetUSRDistributions(boost::python::api::object, boost::python::api::object)’: /build/source/Code/Geometry/point.h:87:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::x’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 87 | x = other.x; | ~~~~~~^ /build/source/Code/Geometry/point.h:88:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::y’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 88 | y = other.y; | ~~~~~~^ /build/source/Code/Geometry/point.h:89:15: warning: ‘*((void*)(&)+32).RDGeom::Point3D::z’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 89 | z = other.z; | ~~~~~~^ [ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so [ 91%] Built target rdMolAlign [ 91%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so [ 91%] Built target rdRGroupDecomposition [ 91%] Linking CXX executable testDescriptors [ 91%] Built target testDescriptors [ 91%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so [ 91%] Built target Deprotect Scanning dependencies of target deprotectTest Scanning dependencies of target rdDeprotect [ 91%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o [ 91%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o [ 91%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o [ 91%] Linking CXX executable testReactionFingerprints [ 91%] Built target testReactionFingerprints [ 91%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so [ 91%] Linking CXX executable testEnumeration [ 91%] Built target MolEnumerator Scanning dependencies of target testMolEnumerator Scanning dependencies of target rdMolEnumerator [ 91%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o [ 92%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/catch_main.cpp.o [ 92%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o [ 92%] Built target testEnumeration [ 92%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so [ 92%] Built target MolStandardize Scanning dependencies of target TautomerQuery Scanning dependencies of target molStandardizeTest Scanning dependencies of target molNormalizeTest Scanning dependencies of target molValidateTest Scanning dependencies of target molFragmentTest Scanning dependencies of target molTautomerTest Scanning dependencies of target molStandardizeCatchTest Scanning dependencies of target molChargeTest Scanning dependencies of target molStandardizeSmallTest Scanning dependencies of target rdMolStandardize Scanning dependencies of target ScaffoldNetwork [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o [ 92%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o [ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o [ 93%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o [ 94%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o [ 94%] Linking CXX executable molHashCatchTest [ 94%] Built target molHashCatchTest [ 94%] Linking CXX executable molNormalizeTest [ 94%] Linking CXX executable molStandardizeSmallTest [ 94%] Built target molNormalizeTest [ 94%] Linking CXX executable molValidateTest [ 95%] Linking CXX executable molFragmentTest [ 95%] Built target molStandardizeSmallTest [ 95%] Linking CXX executable molChargeTest [ 95%] Built target molValidateTest [ 95%] Built target molFragmentTest [ 95%] Built target molChargeTest [ 95%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so [ 95%] Built target TautomerQuery [ 95%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so Scanning dependencies of target tautomerQueryTestCatch Scanning dependencies of target rdTautomerQuery [ 95%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o [ 95%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o [ 95%] Built target ScaffoldNetwork Scanning dependencies of target testScaffoldNetwork Scanning dependencies of target rdScaffoldNetwork [ 96%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o [ 97%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_main.cpp.o [ 97%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o [ 97%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so [ 97%] Built target MolDraw2D Scanning dependencies of target moldraw2DRxnTest1 Scanning dependencies of target moldraw2DTestCatch Scanning dependencies of target moldraw2DTest1 Scanning dependencies of target rdMolDraw2D Scanning dependencies of target rdmolops [ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so [ 97%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o [ 97%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_main.cpp.o [ 97%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o [ 98%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o [ 99%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o [ 99%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o [ 99%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o [ 99%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o [ 99%] Built target rdMolEnumerator [ 99%] Built target rdDeprotect [ 99%] Linking CXX executable molStandardizeTest [ 99%] Built target molStandardizeTest In file included from /build/source/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp:11: /build/source/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp: In function ‘void ____C_A_T_C_H____T_E_S_T____62()’: /build/source/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp:755:23: warning: catching polymorphic type ‘class ValueErrorException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 755 | ValueErrorException); | ^~~~~~~~~~~~~~~~~~~ /build/source/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp:764:23: warning: catching polymorphic type ‘class ValueErrorException’ by value [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wcatch-value=-Wcatch-value=8;;] 764 | ValueErrorException); | ^~~~~~~~~~~~~~~~~~~ [ 99%] Linking CXX executable testMolEnumerator [ 99%] Built target testMolEnumerator In file included from /build/source/Code/GraphMol/Wrap/MolOps.cpp:30: /build/source/Code/RDBoost/python_streambuf.h: In member function ‘virtual boost_adaptbx::python::streambuf::int_type boost_adaptbx::python::streambuf::overflow(boost_adaptbx::python::streambuf::int_type)’: /build/source/Code/RDBoost/python_streambuf.h:285:28: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 285 | if (df_isTextMode && c > STD_ASCII) { | ~~^~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:297:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 297 | if ((!df_isTextMode || c <= STD_ASCII) && | ~~^~~~~~~~~~~~ /build/source/Code/RDBoost/python_streambuf.h:308:30: warning: comparison of integer expressions of different signedness: ‘boost_adaptbx::python::streambuf::int_type’ {aka ‘int’} and ‘const unsigned int’ [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wsign-compare-Wsign-compare8;;] 308 | if (df_isTextMode && c > STD_ASCII && | ~~^~~~~~~~~~~ [ 99%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so [100%] Linking CXX executable moldraw2DRxnTest1 [100%] Linking CXX executable rxnTestCatch [100%] Built target rdMolStandardize [100%] Linking CXX executable molTautomerTest [100%] Linking CXX executable deprotectTest [100%] Built target rxnTestCatch [100%] Built target molTautomerTest [100%] Built target deprotectTest [100%] Built target moldraw2DRxnTest1 [100%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so [100%] Built target rdChemReactions [100%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so [100%] Built target rdTautomerQuery [100%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so [100%] Built target rdScaffoldNetwork [100%] Linking CXX executable molStandardizeCatchTest [100%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so [100%] Built target molStandardizeCatchTest [100%] Linking CXX executable testScaffoldNetwork [100%] Built target rdMolDescriptors [100%] Built target testScaffoldNetwork [100%] Linking CXX executable moldraw2DTest1 [100%] Built target moldraw2DTest1 [100%] Linking CXX executable moldraw2DTestCatch [100%] Built target moldraw2DTestCatch In file included from /build/source/Code/GraphMol/Conformer.h:14, from /build/source/Code/GraphMol/ROMol.h:36, from /build/source/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp:17: /build/source/Code/Geometry/point.h: In function ‘std::unique_ptr > pythonObjectToVect(const boost::python::api::object&) [with T = RDGeom::Point2D]’: /build/source/Code/Geometry/point.h:269:57: warning: ‘*((void*)& +40)’ may be used uninitialized in this function [8;;https://gcc.gnu.org/onlinedocs/gcc/Warning-Options.html#index-Wmaybe-uninitialized-Wmaybe-uninitialized8;;] 269 | Point2D(const Point2D &other) : Point(other), x(other.x), y(other.y) {} | ~~~~~~^ [100%] Linking CXX executable tautomerQueryTestCatch [100%] Built target tautomerQueryTestCatch [100%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so [100%] Built target rdMolDraw2D [100%] Linking CXX executable testReaction [100%] Built target testReaction [100%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so [100%] Built target rdmolops glibPreInstallPhase installing install flags: SHELL=/nix/store/x0dcb2rxlzf32g0ddfkqqz1sfcyx4yay-bash-4.4-p23/bin/bash gsettingsschemadir=/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/share/gsettings-schemas/python3.9-rdkit-2020.09.5/glib-2.0/schemas/ install [ 0%] Built target catch [ 0%] Built target RDGeneral [ 1%] Built target DataStructs [ 2%] Built target RDGeometryLib [ 5%] Built target GraphMol [ 5%] Built target EigenSolvers [ 5%] Built target MolTransforms [ 5%] Built target Alignment [ 5%] Built target SubstructMatch [ 5%] Built target MolAlign [ 6%] Built target Depictor [ 7%] Built target SmilesParse [ 7%] Built target RDInchiLib [ 10%] Built target FileParsers [ 10%] Built target Subgraphs [ 10%] Built target PartialCharges [ 13%] Built target Descriptors [ 13%] Built target testInchi [ 13%] Built target inchi_support [ 14%] Built target RDBoost [ 14%] Built target rdinchi [ 18%] Built target avalon_clib [ 18%] Built target AvalonLib [ 19%] Built target testAvalonLib1 [ 20%] Built target pyAvalonTools [ 22%] Built target freesasa_clib [ 22%] Built target FreeSASALib [ 22%] Built target testFreeSASALib [ 23%] Built target rdFreeSASA [ 24%] Built target ChemTransforms [ 25%] Built target testCoordGen [ 25%] Built target coordgen_support [ 25%] Built target rdCoordGen [ 27%] Built target yaehmop_project [ 27%] Built target EHTLib [ 27%] Built target testEHTLib1 [ 27%] Built target rdEHTTools [ 27%] Built target ringdecomposerlib_support [ 27%] Built target testConcurrentQueue [ 27%] Built target testRDValue [ 27%] Built target testDict [ 27%] Built target rdBase [ 27%] Built target RDStreams [ 28%] Built target testMultiFPB [ 28%] Built target testFPB [ 28%] Built target testDataStructs [ 29%] Built target cDataStructs [ 29%] Built target geometryTestsCatch [ 30%] Built target testGrid [ 31%] Built target testTransforms [ 31%] Built target rdGeometry [ 31%] Built target testConrec [ 32%] Built target testMatrices [ 32%] Built target testAlignment [ 32%] Built target rdAlignment [ 32%] Built target Trajectory [ 32%] Built target Optimizer [ 32%] Built target testOptimizer [ 35%] Built target ForceField [ 36%] Built target ForceFieldHelpers [ 36%] Built target testUFFForceField [ 37%] Built target DistGeometry [ 37%] Built target DistGeomHelpers [ 37%] Built target testMMFFForceField [ 37%] Built target rdForceField [ 37%] Built target testDistGeom [ 37%] Built target DistGeom [ 37%] Built target Catalogs [ 37%] Built target chiralityTestsCatch [ 38%] Built target graphmolSGroupCatch [ 38%] Built target graphmolTestsCatch [ 38%] Built target testSGroup [ 39%] Built target graphmolAdjustQueryCatch [ 39%] Built target graphmoltestPicklerGlobalSetting [ 39%] Built target graphmoltestChirality [ 39%] Built target graphmolcpTest [ 40%] Built target graphmolqueryTest [ 40%] Built target graphmolTest1 [ 40%] Built target resMolSupplierTest [ 40%] Built target test-valgrind [ 40%] Built target graphmoltestPickler [ 40%] Built target graphmolMolOpsTest [ 41%] Built target hanoiTest [ 41%] Built target graphmolIterTest [ 41%] Built target graphmolMemTest1 [ 41%] Built target molBundleTest [ 42%] Built target testDepictor [ 43%] Built target rdDepictor [ 43%] Built target smaTest1 [ 43%] Built target smiTest1 [ 43%] Built target smiTestCatch [ 44%] Built target cxsmilesTest [ 45%] Built target smiTest2 [ 45%] Built target testMolWriter [ 45%] Built target testSequence [ 45%] Built target fileParsersTest1 [ 45%] Built target testMolSupplier [ 46%] Built target Fingerprints [ 46%] Built target testMultithreadedMolSupplier [ 46%] Built target testExtendedStereoParsing [ 46%] Built target testGeneralFileReader [ 46%] Built target testTplParser [ 46%] Built target testMol2ToMol [ 46%] Built target fileParsersCatchTest [ 46%] Built target testPropertyLists [ 46%] Built target testSubstructMatch [ 47%] Built target substructTestCatch [ 48%] Built target FilterCatalog [ 50%] Built target ChemReactions [ 50%] Built target rxnTestCatch [ 50%] Built target testEnumeration [ 51%] Built target testReactionFingerprints [ 51%] Built target testReaction [ 51%] Built target rdChemReactions [ 51%] Built target testChemTransforms [ 51%] Built target chemTransformsTestCatch [ 53%] Built target MolStandardize [ 53%] Built target TautomerQuery [ 53%] Built target tautomerQueryTestCatch [ 53%] Built target rdTautomerQuery [ 53%] Built target testSubgraphs2 [ 54%] Built target testSubgraphs1 [ 55%] Built target filterCatalogTest [ 55%] Built target rdfiltercatalog [ 56%] Built target FragCatalog [ 56%] Built target testFragCatalog [ 57%] Built target rdfragcatalog [ 57%] Built target testCoulombMat [ 57%] Built target testAUTOCORR3D [ 57%] Built target testMORSE [ 57%] Built target testGETAWAY [ 57%] Built target testDescriptors [ 58%] Built target testAUTOCORR2D [ 58%] Built target testATF [ 59%] Built target testEEM [ 59%] Built target test3D [ 60%] Built target testPBF [ 60%] Built target testRDFcustom [ 60%] Built target testBCUT [ 61%] Built target testRDF [ 61%] Built target testWHIM [ 61%] Built target rdMolDescriptors [ 61%] Built target fpTestCatch [ 61%] Built target testFingerprintGenerators [ 61%] Built target testMHFPFingerprint [ 62%] Built target testFingerprints [ 62%] Built target rdMHFPFingerprint [ 62%] Built target rdFingerprintGenerator [ 62%] Built target testPartialCharges [ 62%] Built target rdPartialCharges [ 62%] Built target testMolTransforms [ 63%] Built target rdMolTransforms [ 63%] Built target testMMFFForceFieldHelpersMultiThread [ 64%] Built target testMMFFForceFieldHelpers [ 64%] Built target testUFFForceFieldHelpers [ 64%] Built target testCrystalForceField [ 64%] Built target rdForceFieldHelpers [ 64%] Built target testDistGeomHelpers [ 64%] Built target rdDistGeom [ 65%] Built target O3AAlign [ 65%] Built target testO3AAlign [ 65%] Built target testMolAlign [ 65%] Built target rdMolAlign [ 66%] Built target MolChemicalFeatures [ 66%] Built target testFeatures [ 66%] Built target rdMolChemicalFeatures [ 66%] Built target ShapeHelpers [ 66%] Built target testShapeHelpers [ 66%] Built target rdShapeHelpers [ 66%] Built target MolCatalog [ 66%] Built target testMolCatalog [ 67%] Built target rdMolCatalog [ 69%] Built target MolDraw2D [ 70%] Built target moldraw2DRxnTest1 [ 73%] Built target CIPLabeler [ 73%] Built target moldraw2DTestCatch [ 73%] Built target moldraw2DTest1 [ 74%] Built target rdMolDraw2D [ 75%] Built target FMCS [ 76%] Built target testFMCS [ 77%] Built target rdFMCS [ 77%] Built target FMCStest [ 78%] Built target MolHash [ 78%] Built target molHashCatchTest [ 78%] Built target rdMolHash [ 78%] Built target MMPA [ 78%] Built target testMMPA [ 78%] Built target rdMMPA [ 81%] Built target testCIPLabeler [ 82%] Built target rdCIPLabeler [ 82%] Built target Deprotect [ 82%] Built target deprotectTest [ 82%] Built target rdDeprotect [ 82%] Built target ReducedGraphs [ 82%] Built target testReducedGraphs [ 82%] Built target rdReducedGraphs [ 82%] Built target trajectoryTest [ 83%] Built target SubstructLibrary [ 83%] Built target substructLibraryTest [ 84%] Built target rdSubstructLibrary [ 85%] Built target RGroupDecomposition [ 85%] Built target testRGroupDecomp [ 85%] Built target rdRGroupDecomposition [ 85%] Built target MolInterchange [ 85%] Built target molInterchangeTest1 [ 85%] Built target rdMolInterchange [ 86%] Built target SLNParse [ 86%] Built target testSLNParse [ 86%] Built target rdSLNParse [ 87%] Built target rdtrajectory [ 88%] Built target rdmolfiles [ 88%] Built target rdqueries [ 89%] Built target rdmolops [ 91%] Built target rdchem [ 91%] Built target molStandardizeTest [ 91%] Built target molNormalizeTest [ 91%] Built target molValidateTest [ 91%] Built target molChargeTest [ 92%] Built target molFragmentTest [ 92%] Built target molTautomerTest [ 92%] Built target molStandardizeCatchTest [ 93%] Built target molStandardizeSmallTest [ 94%] Built target rdMolStandardize [ 94%] Built target ScaffoldNetwork [ 95%] Built target testScaffoldNetwork [ 96%] Built target rdScaffoldNetwork [ 96%] Built target MolEnumerator [ 97%] Built target testMolEnumerator [ 97%] Built target rdMolEnumerator [ 97%] Built target Abbreviations [ 97%] Built target testAbbreviations [ 97%] Built target rdAbbreviations [ 97%] Built target testQuery [ 97%] Built target testMatCalc [ 97%] Built target rdMetricMatrixCalc [ 97%] Built target hc [ 98%] Built target SimDivPickers [ 98%] Built target pickersTestsCatch [ 98%] Built target testSimDivPickers [ 98%] Built target rdSimDivPickers [ 98%] Built target Clustering [ 99%] Built target InfoTheory [100%] Built target rdInfoTheory [100%] Built target cQuantize [100%] Built target ChemicalFeatures [100%] Built target testChemicalFeatures [100%] Built target rdChemicalFeatures Install the project... -- Install configuration: "Release" -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/test3.gif -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/test2.gif -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/test1.gif -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/spiral.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/retest.txt -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/listutils.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/fileutils.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/comhack.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/chemutils.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/chemdraw_qax.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/chemdraw.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/cactvs.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/utils/12h.gif -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util/HTMLPiddler.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/tests -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/tests/testallps.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/tests/pstests.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/tests/pidtest.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/tests/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/patches -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/examples -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/examples/formatted-strings.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/WX -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/WX/pidWxDc.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/WX/pidWX.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/WX/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/TK -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/TK/pidTK.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/TK/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/SVG -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/SVG/pidSVG.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/SVG/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/ReportLab -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/ReportLab/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Qt -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Qt/pidQt4.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Qt/pidQt.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Qt/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Pyart -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Pyart/pidPyart.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Pyart/__init__.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS/pidPS.py -- Installing: 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Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/spingCanvas.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/qtCanvas.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/mplCanvas.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/canvasbase.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/cairoCanvas.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/aggCanvas.py -- Installing: 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Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/TemplateAlign.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/ShowMols.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/SaltRemover.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/SATIS.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/ReducedGraphs.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Recap.py -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Randomize.py -- Installing: 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Descriptors/WHIM.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Descriptors/CoulombMat.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolDescriptors.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFingerprints.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFingerprints.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFingerprints.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/AtomPairs.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/Fingerprints.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/MorganFingerprints.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/MACCS.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/MHFP.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/FingerprintGenerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/AtomPairGenerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/MorganGenerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/RDKitFPGenerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/TopologicalTorsionGenerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Fingerprints/FingerprintUtil.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdFingerprintGenerator.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMHFPFingerprint.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitPartialCharges.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitPartialCharges.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitPartialCharges.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/PartialCharges/GasteigerCharges.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/PartialCharges/GasteigerParams.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdPartialCharges.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolTransforms.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolTransforms.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolTransforms.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolTransforms/MolTransforms.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolTransforms.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitForceFieldHelpers.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitForceFieldHelpers.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitForceFieldHelpers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/FFConvenience.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/UFF/Builder.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/UFF/UFF.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/Builder.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/MMFF/MMFF.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdForceFieldHelpers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDistGeomHelpers.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDistGeomHelpers.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDistGeomHelpers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdDistGeom.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolAlign.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolAlign.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolAlign.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitO3AAlign.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitO3AAlign.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitO3AAlign.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolAlign.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolChemicalFeatures.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolChemicalFeatures.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolChemicalFeatures.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolChemicalFeatures.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitShapeHelpers.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitShapeHelpers.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitShapeHelpers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ShapeHelpers/ShapeEncoder.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/ShapeHelpers/ShapeUtils.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdShapeHelpers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolCatalog.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolCatalog.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolCatalog.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolCatalog/MolCatalogEntry.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolCatalog/MolCatalog.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolCatalog/MolCatalogParams.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolCatalog.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawText.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextSVG.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextJS.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextCairo.h -- Up-to-date: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawText.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFT.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTSVG.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTJS.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTCairo.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFMCS.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFMCS.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFMCS.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FMCS/FMCS.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FMCS/Graph.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdFMCS.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolHash.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolHash.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolHash.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolHash/MolHash.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolHash/nmmolhash.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolHash.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMMPA.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMMPA.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMMPA.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MMPA/MMPA.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMMPA.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitCIPLabeler.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitCIPLabeler.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitCIPLabeler.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/CIPLabeler/CIPLabeler.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdCIPLabeler.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDeprotect.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDeprotect.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitDeprotect.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Deprotect/Deprotect.h -- Installing: 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Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitTrajectory.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSLNParse.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSLNParse.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitSLNParse.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/SLNParse/SLNAttribs.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/SLNParse/SLNParse.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/SLNParse/SLNParseOps.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdSLNParse.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdchem.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdmolops.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdqueries.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdmolfiles.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdtrajectory.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so -- Installing: 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h -- Installing: 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolEnumerator.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitMolEnumerator.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolEnumerator.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitAbbreviations.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitAbbreviations.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitAbbreviations.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdAbbreviations.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/AndQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/EqualityQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/GreaterEqualQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/GreaterQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/LessEqualQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/LessQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/NullQueryAlgebra.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/OrQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/Query.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/QueryObjects.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/RangeQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/SetQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Query/XOrQuery.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/Features/Feature.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Installing: 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKithc.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKithc.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKithc.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/ML/Cluster/Clustering.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitInfoTheory.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitInfoTheory.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitInfoTheory.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/ML/Data/cQuantize.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitChemicalFeatures.so.1.2020.09.5 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitChemicalFeatures.so.1 -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitChemicalFeatures.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdChemicalFeatures.so -- Installing: /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/RDPaths.py glibPreFixupPhase post-installation fixup shrinking RPATHs of ELF executables and libraries in /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitavalon_clib.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitForceField.so.1.2020.09.5 shrinking 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/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitForceFieldHelpers.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitAlignment.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitCIPLabeler.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitAbbreviations.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitFilterCatalog.so.1.2020.09.5 shrinking /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/libRDKitScaffoldNetwork.so.1.2020.09.5 strip is /nix/store/scs241fp7dlrvm45d2fjbpjvygirn0ml-binutils-2.35.1/bin/strip stripping (with command strip and flags -S) in /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib patching script interpreter paths in /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5 checking for references to /build/ in /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5... Executing pythonRemoveTestsDir Finished executing pythonRemoveTestsDir running install tests ...... ---------------------------------------------------------------------- Ran 6 tests in 0.137s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.056s OK ....[15:54:12] **** Pre-condition Violation valence not defined for atoms not associated with molecules Violation occurred on line 313 in file /build/source/Code/GraphMol/Atom.cpp Failed Expression: dp_mol **** . ---------------------------------------------------------------------- Ran 5 tests in 0.017s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.015s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.016s OK ...................... ---------------------------------------------------------------------- Ran 22 tests in 0.045s OK .....s........../nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Graphs.py:43: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations res = numpy.zeros(nAtoms + 1, numpy.float) .......ss ---------------------------------------------------------------------- Ran 25 tests in 0.636s OK (skipped=3) ..s ---------------------------------------------------------------------- Ran 3 tests in 0.217s OK (skipped=1) ................................... ---------------------------------------------------------------------- Ran 35 tests in 1.074s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.034s OK . ---------------------------------------------------------------------- Ran 1 test in 0.017s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.056s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.071s OK .ss.ss....... ---------------------------------------------------------------------- Ran 13 tests in 1.451s OK (skipped=4) ...{'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl'} ....{'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl'} .{'F[C@@H](Cl)[C@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl', 'F[C@@H](Cl)[C@@H](F)Cl'} .........[15:55:38] WARNING: More than one matching pattern found - picking one [15:55:38] WARNING: More than one matching pattern found - picking one .[15:55:39] WARNING: More than one matching pattern found - picking one .. ---------------------------------------------------------------------- Ran 20 tests in 63.742s OK ...../nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/BuildFragmentCatalog.py:164: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations resTbl = numpy.zeros((nBits, 2, nActs), numpy.int) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/BuildFragmentCatalog.py:228: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations resTbl = numpy.zeros((nBits, 2, nActs), numpy.int) ... ---------------------------------------------------------------------- Ran 8 tests in 0.150s OK /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:48: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations Is = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:60: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations accum = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Graphs.py:43: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations res = numpy.zeros(nAtoms + 1, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState_VSA.py:75: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations ans = numpy.zeros(len(bins) + 1, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState_VSA.py:44: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations ans = numpy.zeros(len(bins) + 1, numpy.float) ....[15:55:50] WARNING: not removing hydrogen atom without neighbors [15:55:50] WARNING: not removing hydrogen atom without neighbors [15:55:50] WARNING: not removing hydrogen atom without neighbors ......... ---------------------------------------------------------------------- Ran 13 tests in 4.707s OK [15:55:52] WARNING: Omitted undefined stereo [15:55:52] WARNING: Proton(s) added/removed . InChI write Summary: 1161 identical, 0 suffix variance, 20 reasonable F InChI read Summary: 685 identical, 0 variance, 496 reasonable variance F.... ====================================================================== FAIL: test0InchiWritePubChem (__main__.TestCase) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/source/rdkit/Chem/UnitTestInchi.py", line 170, in test0InchiWritePubChem self.assertEqual(same, 1162) AssertionError: 1161 != 1162 ====================================================================== FAIL: test1InchiReadPubChem (__main__.TestCase) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/source/rdkit/Chem/UnitTestInchi.py", line 258, in test1InchiReadPubChem self.assertEqual(same, 684) AssertionError: 685 != 684 ---------------------------------------------------------------------- Ran 7 tests in 16.453s FAILED (failures=2) .... ---------------------------------------------------------------------- Ran 4 tests in 1.774s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.492s OK ..............s..s........ ---------------------------------------------------------------------- Ran 26 tests in 4.604s OK (skipped=2) ............./nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/BRICS.py:291: DeprecationWarning: The *random* parameter to shuffle() has been deprecated since Python 3.9 and will be removed in a subsequent version. random.shuffle(indices, random=random.random) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/BRICS.py:299: DeprecationWarning: The *random* parameter to shuffle() has been deprecated since Python 3.9 and will be removed in a subsequent version. random.shuffle(compats, random=random.random) .[15:56:49] WARNING: More than one matching pattern found - picking one [15:56:49] WARNING: More than one matching pattern found - picking one ........... ---------------------------------------------------------------------- Ran 25 tests in 18.490s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.079s OK ..s... ---------------------------------------------------------------------- Ran 6 tests in 1.120s OK (skipped=1) .[15:56:56] WARNING: not removing hydrogen atom without neighbors .[15:56:56] WARNING: not removing hydrogen atom without neighbors .[15:56:56] WARNING: no name column found on line 1 [15:56:56] WARNING: no name column found on line 2 [15:56:56] WARNING: no name column found on line 3 [15:56:56] WARNING: no name column found on line 4 [15:56:56] WARNING: no name column found on line 5 [15:56:56] WARNING: no name column found on line 6 [15:56:56] WARNING: no name column found on line 7 [15:56:56] WARNING: no name column found on line 8 [15:56:56] WARNING: no 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---------------------------------------------------------------------- Ran 9 tests in 0.175s OK .................. ---------------------------------------------------------------------- Ran 18 tests in 1.253s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.137s OK ./nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:48: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations Is = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:60: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations accum = numpy.zeros(nAtoms, numpy.float) ....... ---------------------------------------------------------------------- Ran 8 tests in 0.056s OK /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:48: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations Is = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:60: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations accum = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/Fingerprinter.py:38: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations counts = numpy.zeros(nPatts, numpy.int) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/Fingerprinter.py:39: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations sums = numpy.zeros(nPatts, numpy.float) .. ---------------------------------------------------------------------- Ran 2 tests in 0.032s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.025s OK /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:48: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations Is = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState.py:60: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations accum = numpy.zeros(nAtoms, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState_VSA.py:75: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations ans = numpy.zeros(len(bins) + 1, numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/EState/EState_VSA.py:44: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations ans = numpy.zeros(len(bins) + 1, numpy.float) . ---------------------------------------------------------------------- Ran 1 test in 0.149s OK ........ ---------------------------------------------------------------------- Ran 8 tests in 0.003s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.009s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.004s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.008s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.022s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.028s OK .... ---------------------------------------------------------------------- Ran 4 tests in 4.800s OK ........./nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm2D/SigFactory.py:68: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations dMat = numpy.zeros((nPts, nPts), numpy.int) . ---------------------------------------------------------------------- Ran 10 tests in 0.079s OK . ---------------------------------------------------------------------- Ran 1 test in 0.000s OK .......... ---------------------------------------------------------------------- Ran 10 tests in 0.009s OK ..../nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Randomize.py:29: DeprecationWarning: The *random* parameter to shuffle() has been deprecated since Python 3.9 and will be removed in a subsequent version. random.shuffle(order, random=random.random) . ---------------------------------------------------------------------- Ran 5 tests in 0.159s OK /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py:24: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations self._boundsMat = numpy.zeros((nf, nf), numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py:25: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations self._boundsMat2D = numpy.zeros((nf, nf), numpy.int) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py:132: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations bm = numpy.zeros((bounds.shape[0] + 1, bounds.shape[1] + 1), numpy.float) ./nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py:928: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations bm2 = numpy.zeros((len(keep), len(keep)), numpy.float) .mol_197 219.10,35.89,110.98,11.56,110.32,11.04,95.23,10.25,0.00 mol_223 251.91,7.32,135.48,1.38,135.41,1.39,85.51,0.37,0.00 mol_269 216.26,5.67,105.00,0.87,103.81,0.89,89.27,0.92,6.00 .../nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py:236: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations res = numpy.zeros((dim, dim), numpy.float) ..:1: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations bounds = numpy.array([[0,2,3],[1,0,4],[2,3,0]],numpy.float) .............. ---------------------------------------------------------------------- Ran 21 tests in 10.656s OK . ---------------------------------------------------------------------- Ran 1 test in 0.001s OK /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py:24: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations self._boundsMat = numpy.zeros((nf, nf), numpy.float) /nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py:25: DeprecationWarning: `np.int` is a deprecated alias for the builtin `int`. To silence this warning, use `int` by itself. Doing this will not modify any behavior and is safe. When replacing `np.int`, you may wish to use e.g. `np.int64` or `np.int32` to specify the precision. If you wish to review your current use, check the release note link for additional information. Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations self._boundsMat2D = numpy.zeros((nf, nf), numpy.int) ...[15:57:58] **** Pre-condition Violation molecule has no conformers Violation occurred on line 37 in file /build/source/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp Failed Expression: dp_mol->getNumConformers() **** . ---------------------------------------------------------------------- Ran 4 tests in 0.032s OK .. ---------------------------------------------------------------------- Ran 2 tests in 30.769s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.143s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.018s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.634s OK .....[15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors [15:58:40] WARNING: not removing hydrogen atom without neighbors ..... ---------------------------------------------------------------------- Ran 10 tests in 0.462s OK ssssss[15:58:44] No suitable metadata found. .[15:58:44] No suitable metadata found. ......s/nix/store/g2xmpn7k3lcvlqizcy1r3axvfwn3bfls-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/__init__.py:223: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually warnings.warn( ..... ---------------------------------------------------------------------- Ran 19 tests in 0.510s OK (skipped=7) s ---------------------------------------------------------------------- Ran 1 test in 0.000s OK (skipped=1) .......... ---------------------------------------------------------------------- Ran 10 tests in 1.001s OK ..[15:58:53] SMARTS Parse Error: syntax error while parsing: boromicacid [15:58:53] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' [15:58:53] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide [15:58:53] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' [15:58:53] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride [15:58:53] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' [15:58:53] reaction has no reactants [15:58:53] reaction has no products [15:58:53] initialization failed [15:58:53] reaction has no reactants [15:58:53] reaction has no products . ---------------------------------------------------------------------- Ran 3 tests in 0.042s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.017s OK ................[15:59:00] ERROR: [15:59:00] ERROR: . ---------------------------------------------------------------------- Ran 17 tests in 0.085s OK !!! TEST FAILURE: python UnitTestInchi.py {} !-!-!-!-!-!-!-!-!-!-! Script: test_list.py. Failed 1 (of 41) tests in 295.30 seconds (/build/source/rdkit/Chem): python UnitTestInchi.py pythonCatchConflictsPhase pythonRemoveBinBytecodePhase pythonImportsCheckPhase Executing pythonImportsCheckPhase Check whether the following modules can be imported: rdkit rdkit.Chem rdkit.Chem.AllChem