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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/share/locale -DCMAKE_INSTALL_LIBEXECDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/libexec -DCMAKE_INSTALL_LIBDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib -DCMAKE_INSTALL_DOCDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/share/doc/RDKit -DCMAKE_INSTALL_INFODIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/share/info -DCMAKE_INSTALL_MANDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/share/man -DCMAKE_INSTALL_OLDINCLUDEDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include -DCMAKE_INSTALL_INCLUDEDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include -DCMAKE_INSTALL_SBINDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/sbin -DCMAKE_INSTALL_BINDIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/bin -DCMAKE_INSTALL_NAME_DIR=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib -DCMAKE_POLICY_DEFAULT_CMP0025=NEW -DCMAKE_OSX_SYSROOT= -DCMAKE_FIND_FRAMEWORK=LAST -DCMAKE_STRIP=/nix/store/v8imx1nvyz0hgvx9cbcmh6gp4ngw3ffj-binutils-2.35.1/bin/strip -DCMAKE_RANLIB=/nix/store/v8imx1nvyz0hgvx9cbcmh6gp4ngw3ffj-binutils-2.35.1/bin/ranlib -DCMAKE_AR=/nix/store/v8imx1nvyz0hgvx9cbcmh6gp4ngw3ffj-binutils-2.35.1/bin/ar -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DCMAKE_INSTALL_PREFIX=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5 -DCATCH_DIR=/nix/store/ayc4cabis0z7sri6pp9n581rn9gbxxsl-catch-1.12.2/include/catch -DINCHI_LIBRARY=/nix/store/4wy0cbbkbcjiqv77y26mzgcmq42fnwj7-inchi-1.0.6/lib/libinchi.so -DINCHI_LIBRARIES=/nix/store/4wy0cbbkbcjiqv77y26mzgcmq42fnwj7-inchi-1.0.6/lib/libinchi.so -DINCHI_INCLUDE_DIR=/nix/store/4wy0cbbkbcjiqv77y26mzgcmq42fnwj7-inchi-1.0.6/include/inchi -DEIGEN3_INCLUDE_DIR=/nix/store/ic6l7fai1g7gc1bpca1724yrk85awdyr-eigen-3.3.9/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/ahn2v6ndx346wajswvv3f0qszj0lr6bd-maeparser-1.2.4 -DRDK_BUILD_COORDGEN_SUPPORT=ON -DCOORDGEN_DIR=/nix/store/nrm0rid000nng7ns9spmig5g6vzhnvdn-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/1g54cwl6m78rgrqsnn1pp29dbvldpvsd-python3-3.9.6/bin/python -DBOOST_ROOT=/nix/store/iwijwml2b5394wl0py5nn3b9fl5fas4r-boost-1.69.0 -DBoost_NO_SYSTEM_PATHS=ON -DBoost_NO_BOOST_CMAKE=TRUE -DPYTHON_NUMPY_INCLUDE_PATH=/nix/store/ndg3gxxrw07782s2drpjsrw8s1a88f86-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/4xs1xyj8728yvh9y5v6ji819kwgfy2fv-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/4xs1xyj8728yvh9y5v6ji819kwgfy2fv-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/ayc4cabis0z7sri6pp9n581rn9gbxxsl-catch-1.12.2/include/catch CATCH: /nix/store/ayc4cabis0z7sri6pp9n581rn9gbxxsl-catch-1.12.2/include/catch -- Found PythonInterp: /nix/store/1g54cwl6m78rgrqsnn1pp29dbvldpvsd-python3-3.9.6/bin/python (found version "3.9.6") -- Found PythonLibs: /nix/store/1g54cwl6m78rgrqsnn1pp29dbvldpvsd-python3-3.9.6/lib/libpython3.9.so (found version "3.9.6") CMake Warning at /nix/store/h9jskwz92pahcgy06icgkbw3dg4x5i0v-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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-3.4.2/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-1.1.1l/lib -L/nix/store/nj5am9cs42lqwkaxcpnq7w39q0ddblhz-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-3.4.2/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-1.1.1l/lib -L/nix/store/nj5am9cs42lqwkaxcpnq7w39q0ddblhz-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/g5q333537p5xlk03d8bwjzfn0671v6hg-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/g5q333537p5xlk03d8bwjzfn0671v6hg-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/ahn2v6ndx346wajswvv3f0qszj0lr6bd-maeparser-1.2.4/include' -- maeparser libraries set as '/nix/store/ahn2v6ndx346wajswvv3f0qszj0lr6bd-maeparser-1.2.4/lib/libmaeparser.so' -- Found maeparser: /nix/store/ahn2v6ndx346wajswvv3f0qszj0lr6bd-maeparser-1.2.4/include -- coordgen include dir set as /nix/store/nrm0rid000nng7ns9spmig5g6vzhnvdn-coordgenlibs-2.0.3/include -- coordgen libraries set as '/nix/store/nrm0rid000nng7ns9spmig5g6vzhnvdn-coordgenlibs-2.0.3/lib/libcoordgen.so' -- Found coordgen: /nix/store/nrm0rid000nng7ns9spmig5g6vzhnvdn-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/g5q333537p5xlk03d8bwjzfn0671v6hg-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/g5q333537p5xlk03d8bwjzfn0671v6hg-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/dc3r2nbhckwn41hq5vaxxbj7z0lqdwb1-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/7i0zq8rd4wadxy3r0b18ga3cmc793gr8-cairo-1.16.0-dev/include/cairo -- Found Freetype: /nix/store/nqvvv6zmj0a3nw8hisq3rkkl9pp2x052-freetype-2.11.0/lib/libfreetype.so (found version "2.11.0") -- 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: -j2 -l2 SHELL=/nix/store/dpjnjrqbgbm8a5wvi1hya01vd8wyvsq4-bash-4.4-p23/bin/bash Scanning dependencies of target catch [ 0%] Built target catch Scanning dependencies of target inchi_support [ 0%] Built target inchi_support Scanning dependencies of target coordgen_support [ 0%] Built target coordgen_support Scanning dependencies of target yaehmop_project [ 0%] Creating directories for 'yaehmop_project' [ 0%] Performing download step for 'yaehmop_project' [ 0%] No update step for 'yaehmop_project' [ 0%] No patch step for 'yaehmop_project' [ 0%] 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. -- The C 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/4xs1xyj8728yvh9y5v6ji819kwgfy2fv-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 [ 0%] 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 /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 [ 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 /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/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); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 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 /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 [ 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/muller.c.o [ 54%] Building C object CMakeFiles/yaehmop_eht.dir/mulliken.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 /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/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 [ 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 [ 71%] Building C object CMakeFiles/yaehmop_eht.dir/solid_symmetry.c.o [ 73%] Building C object CMakeFiles/yaehmop_eht.dir/symmetry.c.o [ 76%] Building C object CMakeFiles/yaehmop_eht.dir/transforms.c.o [ 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 [ 93%] Building C object CMakeFiles/test_eht.dir/test_driver.c.o [ 95%] Linking C executable test_eht [ 95%] Built target test_eht Scanning dependencies of target bind [ 97%] Building C object CMakeFiles/bind.dir/main.c.o [100%] Linking C executable bind [100%] Built target bind [ 0%] 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 [ 1%] No test step for 'yaehmop_project' [ 2%] Completed 'yaehmop_project' [ 2%] Built target yaehmop_project Scanning dependencies of target ringdecomposerlib_support [ 2%] Built target ringdecomposerlib_support Scanning dependencies of target RDStreams [ 2%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o [ 2%] Linking CXX shared library ../../lib/libRDKitRDStreams.so [ 2%] Built target RDStreams Scanning dependencies of target hc [ 2%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o [ 2%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o [ 2%] Linking C shared library ../../../../lib/libRDKithc.so [ 2%] Built target hc Scanning dependencies of target RDGeneral [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o [ 2%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o [ 2%] Linking CXX shared library ../../lib/libRDKitRDGeneral.so [ 2%] Built target RDGeneral Scanning dependencies of target avalon_clib [ 3%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/layout.c.o /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); | ^~~~~~~~~~~~~~~~ [ 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/patclean.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 [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/local.c.o In file included from /nix/store/iwd8ic5hhwdxn5dga0im55g5hjl270cd-glibc-2.33-47-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/iwd8ic5hhwdxn5dga0im55g5hjl270cd-glibc-2.33-47-dev/include/bits/string_fortified.h:95:10: 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;;] 95 | return __builtin___strncpy_chk (__dest, __src, __len, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 96 | __glibc_objsize (__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)) | ^~~~~~~~~~ [ 4%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/graph.c.o [ 4%] 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/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/denormal.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/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 /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'); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /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/canonizer.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/aacheck.c.o [ 5%] Building C object External/AvalonTools/CMakeFiles/avalon_clib.dir/avalon/common/fixcharges.c.o [ 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 [ 6%] Linking C shared library ../../lib/libRDKitavalon_clib.so /nix/store/v8imx1nvyz0hgvx9cbcmh6gp4ngw3ffj-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' [ 6%] Built target avalon_clib Scanning dependencies of target freesasa_clib [ 6%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier.c.o [ 6%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_naccess.c.o [ 6%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_oons.c.o [ 6%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/classifier_protor.c.o [ 6%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/coord.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/freesasa2.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/lexer.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/log.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/nb.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/node.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/parser.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/pdb.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/rsa.c.o [ 7%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/sasa_lr.c.o [ 8%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/sasa_sr.c.o [ 8%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/selection.c.o In file included from /nix/store/iwd8ic5hhwdxn5dga0im55g5hjl270cd-glibc-2.33-47-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/iwd8ic5hhwdxn5dga0im55g5hjl270cd-glibc-2.33-47-dev/include/bits/string_fortified.h:95:10: 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;;] 95 | return __builtin___strncpy_chk (__dest, __src, __len, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 96 | __glibc_objsize (__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); | ^~~~~~~~~~~~~~~~~~~~~~~ [ 8%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/structure.c.o [ 8%] Building C object External/FreeSASA/CMakeFiles/freesasa_clib.dir/freesasa/src/util.c.o [ 8%] Linking C shared library ../../lib/libRDKitfreesasa_clib.so [ 8%] Built target freesasa_clib Scanning dependencies of target testConcurrentQueue [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o [ 8%] Linking CXX executable testConcurrentQueue [ 8%] Built target testConcurrentQueue Scanning dependencies of target testRDValue [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o [ 8%] Linking CXX executable testRDValue [ 8%] Built target testRDValue Scanning dependencies of target testDict [ 8%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o [ 8%] Linking CXX executable testDict [ 8%] Built target testDict Scanning dependencies of target testMatrices [ 9%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o [ 9%] Linking CXX executable testMatrices [ 9%] Built target testMatrices Scanning dependencies of target Catalogs [ 9%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o [ 9%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o [ 9%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o [ 9%] Linking CXX shared library ../../lib/libRDKitCatalogs.so [ 9%] Built target Catalogs Scanning dependencies of target testQuery [ 9%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o [ 9%] Linking CXX executable testQuery [ 9%] Built target testQuery Scanning dependencies of target testMatCalc [ 9%] Building CXX object Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o [ 9%] Linking CXX executable testMatCalc [ 9%] Built target testMatCalc Scanning dependencies of target SimDivPickers [ 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%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so [ 10%] Built target SimDivPickers Scanning dependencies of target DataStructs [ 10%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o [ 10%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o [ 10%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o [ 10%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o [ 11%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o [ 11%] Linking CXX shared library ../../lib/libRDKitDataStructs.so [ 11%] Built target DataStructs Scanning dependencies of target EigenSolvers [ 11%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o [ 11%] Linking CXX shared library ../../../lib/libRDKitEigenSolvers.so [ 11%] Built target EigenSolvers Scanning dependencies of target RDBoost [ 11%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o [ 12%] Linking CXX shared library ../../lib/libRDKitRDBoost.so [ 12%] Built target RDBoost Scanning dependencies of target testMultiFPB [ 13%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o [ 13%] Linking CXX executable testMultiFPB [ 13%] Built target testMultiFPB Scanning dependencies of target testFPB [ 13%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o [ 13%] Linking CXX executable testFPB [ 13%] Built target testFPB Scanning dependencies of target testDataStructs [ 13%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o [ 13%] Linking CXX executable testDataStructs [ 13%] Built target testDataStructs Scanning dependencies of target cDataStructs [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o [ 13%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o [ 14%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so [ 14%] Built target cDataStructs Scanning dependencies of target rdMetricMatrixCalc [ 14%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o [ 14%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so [ 14%] Built target rdMetricMatrixCalc Scanning dependencies of target pickersTestsCatch [ 14%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o [ 14%] Linking CXX executable pickersTestsCatch [ 14%] Built target pickersTestsCatch Scanning dependencies of target testSimDivPickers [ 14%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o [ 14%] Linking CXX executable testSimDivPickers [ 14%] Built target testSimDivPickers Scanning dependencies of target rdSimDivPickers [ 14%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o [ 14%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o [ 14%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o [ 14%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o [ 14%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so [ 14%] Built target rdSimDivPickers Scanning dependencies of target Clustering [ 14%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o [ 14%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so [ 14%] Built target Clustering Scanning dependencies of target InfoTheory [ 15%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o [ 15%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so [ 15%] Built target InfoTheory Scanning dependencies of target RDGeometryLib [ 15%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o [ 16%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o [ 16%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so [ 16%] Built target RDGeometryLib Scanning dependencies of target rdBase [ 16%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.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 && | ~~^~~~~~~~~~~ [ 16%] Linking CXX shared module ../../../rdkit/rdBase.so [ 16%] Built target rdBase Scanning dependencies of target rdInfoTheory [ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o [ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o [ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o [ 17%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so [ 17%] Built target rdInfoTheory Scanning dependencies of target cQuantize [ 17%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o [ 17%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so [ 17%] Built target cQuantize Scanning dependencies of target ChemicalFeatures [ 17%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o [ 17%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so [ 17%] Built target ChemicalFeatures Scanning dependencies of target GraphMol [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o [ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.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) { | ~~~~~~~~~~~~~^~~ [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.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;;] [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolDiscriminators.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o [ 20%] Linking CXX shared library ../../lib/libRDKitGraphMol.so [ 20%] Built target GraphMol Scanning dependencies of target Alignment [ 20%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o [ 20%] Linking CXX shared library ../../../lib/libRDKitAlignment.so [ 20%] Built target Alignment Scanning dependencies of target geometryTestsCatch [ 20%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o [ 20%] Linking CXX executable geometryTestsCatch [ 20%] Built target geometryTestsCatch Scanning dependencies of target testGrid [ 21%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o [ 21%] Linking CXX executable testGrid [ 21%] Built target testGrid Scanning dependencies of target testTransforms [ 21%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o [ 22%] Linking CXX executable testTransforms [ 22%] Built target testTransforms Scanning dependencies of target rdGeometry [ 22%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o [ 22%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o [ 22%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o [ 22%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so [ 22%] Built target rdGeometry Scanning dependencies of target testConrec [ 22%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o [ 22%] Linking CXX executable testConrec [ 22%] Built target testConrec Scanning dependencies of target testAlignment [ 22%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o [ 22%] Linking CXX executable testAlignment [ 22%] Built target testAlignment Scanning dependencies of target rdAlignment [ 22%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o [ 22%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so [ 22%] Built target rdAlignment Scanning dependencies of target Trajectory [ 22%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o [ 22%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so [ 22%] Built target Trajectory Scanning dependencies of target MolCatalog [ 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%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so [ 22%] Built target MolCatalog Scanning dependencies of target CIPLabeler [ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o [ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o [ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o [ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o [ 25%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so [ 25%] Built target CIPLabeler Scanning dependencies of target MolInterchange [ 25%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o [ 25%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o [ 25%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so [ 25%] Built target MolInterchange Scanning dependencies of target SLNParse [ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o [ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o [ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o [ 26%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o [ 26%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so [ 26%] Built target SLNParse Scanning dependencies of target rdtrajectory [ 26%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o [ 26%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o [ 27%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so [ 27%] Built target rdtrajectory Scanning dependencies of target rdqueries [ 27%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o [ 27%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o [ 27%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so [ 27%] Built target rdqueries Scanning dependencies of target testChemicalFeatures [ 27%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o [ 27%] Linking CXX executable testChemicalFeatures [ 27%] Built target testChemicalFeatures Scanning dependencies of target rdChemicalFeatures [ 27%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o [ 27%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o [ 27%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so [ 27%] Built target rdChemicalFeatures Scanning dependencies of target MolTransforms [ 27%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o [ 27%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so [ 27%] Built target MolTransforms Scanning dependencies of target SubstructMatch [ 27%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o [ 27%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o [ 27%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so [ 27%] Built target SubstructMatch Scanning dependencies of target SmilesParse [ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o [ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o [ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o [ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o [ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o [ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o [ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o [ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o [ 28%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o [ 28%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so [ 28%] Built target SmilesParse Scanning dependencies of target Subgraphs [ 28%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o [ 28%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o [ 28%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so [ 28%] Built target Subgraphs Scanning dependencies of target PartialCharges [ 28%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o [ 28%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o [ 28%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so [ 28%] Built target PartialCharges Scanning dependencies of target FreeSASALib [ 28%] Building CXX object External/FreeSASA/CMakeFiles/FreeSASALib.dir/RDFreeSASA.cpp.o [ 28%] Linking CXX shared library ../../lib/libRDKitFreeSASALib.so [ 28%] Built target FreeSASALib Scanning dependencies of target ChemTransforms [ 28%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o [ 28%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o [ 29%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so [ 29%] Built target ChemTransforms Scanning dependencies of target EHTLib [ 29%] Building CXX object External/YAeHMOP/CMakeFiles/EHTLib.dir/EHTTools.cpp.o [ 29%] Linking CXX shared library ../../lib/libRDKitEHTLib.so [ 29%] Built target EHTLib Scanning dependencies of target Optimizer [ 29%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o [ 29%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o [ 29%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so [ 29%] Built target Optimizer Scanning dependencies of target graphmolcpTest [ 29%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o [ 29%] Linking CXX executable graphmolcpTest [ 29%] Built target graphmolcpTest Scanning dependencies of target graphmolqueryTest [ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o [ 30%] Linking CXX executable graphmolqueryTest [ 30%] Built target graphmolqueryTest Scanning dependencies of target test-valgrind [ 30%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o [ 30%] Linking CXX executable test-valgrind [ 30%] Built target test-valgrind Scanning dependencies of target graphmolIterTest [ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o [ 30%] Linking CXX executable graphmolIterTest [ 30%] Built target graphmolIterTest Scanning dependencies of target graphmolMemTest1 [ 30%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o [ 30%] Linking CXX executable graphmolMemTest1 [ 30%] Built target graphmolMemTest1 Scanning dependencies of target smaTest1 [ 30%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o [ 30%] Linking CXX executable smaTest1 [ 30%] Built target smaTest1 Scanning dependencies of target smiTest2 [ 31%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o [ 31%] Linking CXX executable smiTest2 [ 31%] Built target smiTest2 Scanning dependencies of target Fingerprints [ 31%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o [ 31%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o [ 31%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o [ 31%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o [ 32%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o [ 32%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so [ 32%] Built target Fingerprints Scanning dependencies of target FilterCatalog [ 32%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o [ 32%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o [ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o [ 33%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so [ 33%] Built target FilterCatalog Scanning dependencies of target testSubgraphs2 [ 33%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o [ 33%] Linking CXX executable testSubgraphs2 [ 33%] Built target testSubgraphs2 Scanning dependencies of target testSubgraphs1 [ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o [ 34%] Linking CXX executable testSubgraphs1 [ 34%] Built target testSubgraphs1 Scanning dependencies of target rdfiltercatalog [ 34%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o [ 34%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o [ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so [ 34%] Built target rdfiltercatalog Scanning dependencies of target FragCatalog [ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o [ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o [ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o [ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o [ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o [ 35%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so [ 35%] Built target FragCatalog Scanning dependencies of target rdMHFPFingerprint [ 35%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o [ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so [ 35%] Built target rdMHFPFingerprint Scanning dependencies of target rdFingerprintGenerator [ 35%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o [ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so [ 35%] Built target rdFingerprintGenerator Scanning dependencies of target testPartialCharges [ 35%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o [ 35%] Linking CXX executable testPartialCharges [ 35%] Built target testPartialCharges Scanning dependencies of target rdPartialCharges [ 35%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o [ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so [ 35%] Built target rdPartialCharges Scanning dependencies of target rdMolTransforms [ 35%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o [ 36%] Linking CXX shared module 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shared library ../../../lib/libRDKitShapeHelpers.so [ 37%] Built target ShapeHelpers Scanning dependencies of target rdMolCatalog [ 38%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o [ 38%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so [ 38%] Built target rdMolCatalog Scanning dependencies of target testCIPLabeler [ 38%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o [ 38%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o [ 38%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o [ 38%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o [ 38%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o [ 39%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o [ 39%] Building CXX object 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CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o [ 41%] Linking CXX executable testCIPLabeler [ 41%] Built target testCIPLabeler Scanning dependencies of target rdCIPLabeler [ 41%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o [ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so [ 42%] Built target rdCIPLabeler Scanning dependencies of target ReducedGraphs [ 42%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o [ 42%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so [ 42%] Built target ReducedGraphs Scanning dependencies of target SubstructLibrary [ 42%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o [ 43%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o [ 43%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so [ 43%] Built target SubstructLibrary Scanning dependencies of target rdMolInterchange [ 43%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so [ 43%] Built target rdMolInterchange Scanning dependencies of target testSLNParse [ 43%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o [ 43%] Linking CXX executable testSLNParse [ 43%] Built target testSLNParse Scanning dependencies of target rdSLNParse [ 43%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so [ 43%] Built target rdSLNParse Scanning dependencies of target rdchem [ 43%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o [ 43%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o [ 43%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o [ 43%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o [ 44%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o 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) {} | ~~~~~~^ [ 45%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o [ 45%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so [ 45%] Built target rdchem Scanning dependencies of target Abbreviations [ 45%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o [ 45%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o [ 45%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so [ 45%] Built target Abbreviations Scanning dependencies of target MolAlign [ 45%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o [ 45%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so [ 45%] Built target MolAlign Scanning dependencies of target rdFreeSASA [ 46%] Building CXX object External/FreeSASA/Wrap/CMakeFiles/rdFreeSASA.dir/rdFreeSASA.cpp.o [ 46%] Linking CXX shared module ../../../rdkit/Chem/rdFreeSASA.so [ 46%] Built target rdFreeSASA Scanning dependencies of target rdEHTTools [ 46%] Building CXX object External/YAeHMOP/Wrap/CMakeFiles/rdEHTTools.dir/rdEHTTools.cpp.o [ 46%] Linking CXX shared module ../../../rdkit/Chem/rdEHTTools.so [ 46%] Built target rdEHTTools Scanning dependencies of target testOptimizer [ 46%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o [ 46%] Linking CXX executable testOptimizer [ 46%] Built target testOptimizer Scanning dependencies of target ForceField [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o [ 47%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o [ 48%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o [ 49%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o [ 49%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o [ 49%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o [ 49%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o [ 49%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o [ 49%] Linking CXX shared library ../../lib/libRDKitForceField.so [ 49%] Built target ForceField Scanning dependencies of target rdMolChemicalFeatures [ 49%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o [ 49%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o [ 49%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o [ 49%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o [ 49%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so [ 49%] Built target rdMolChemicalFeatures Scanning dependencies of target rdShapeHelpers [ 49%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o 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 module ../../../../rdkit/Chem/rdShapeHelpers.so [ 49%] Built target rdShapeHelpers Scanning dependencies of target testReducedGraphs [ 49%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o [ 49%] Linking CXX executable testReducedGraphs [ 49%] Built target testReducedGraphs Scanning dependencies of target rdReducedGraphs [ 49%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o [ 49%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so [ 49%] Built target rdReducedGraphs Scanning dependencies of target rdSubstructLibrary [ 50%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o [ 50%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o 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 && | ~~^~~~~~~~~~~ [ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so [ 50%] Built target rdSubstructLibrary Scanning dependencies of target rdAbbreviations [ 50%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o [ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so [ 50%] Built target rdAbbreviations Scanning dependencies of target Depictor [ 50%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o [ 50%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o [ 51%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o [ 51%] Linking CXX shared library ../../../lib/libRDKitDepictor.so [ 51%] Built target Depictor Scanning dependencies of target rdCoordGen [ 51%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o [ 51%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so [ 51%] Built target rdCoordGen Scanning dependencies of target ForceFieldHelpers [ 51%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o [ 51%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o [ 51%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o [ 52%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o [ 52%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o [ 52%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o [ 52%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so [ 52%] Built target ForceFieldHelpers Scanning dependencies of target rdDepictor [ 53%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o [ 53%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so [ 53%] Built target rdDepictor Scanning dependencies of target RDInchiLib [ 53%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o [ 53%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so [ 53%] Built target RDInchiLib Scanning dependencies of target FileParsers [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o [ 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%] 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%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o [ 56%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so [ 56%] Built target FileParsers Scanning dependencies of target DistGeometry [ 56%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o [ 56%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o [ 56%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o [ 57%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o [ 57%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so [ 57%] Built target DistGeometry Scanning dependencies of target rdForceField [ 57%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o [ 57%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so [ 57%] Built target rdForceField Scanning dependencies of target chiralityTestsCatch [ 57%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o [ 57%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_main.cpp.o [ 57%] Linking CXX executable chiralityTestsCatch [ 57%] Built target chiralityTestsCatch Scanning dependencies of target graphmolSGroupCatch [ 57%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o [ 57%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_main.cpp.o [ 58%] Linking CXX executable graphmolSGroupCatch [ 58%] Built target graphmolSGroupCatch Scanning dependencies of target graphmolTestsCatch [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o 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); | ^~~~~~~~~~~~~~~~~~~~ [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_main.cpp.o [ 58%] Linking CXX executable graphmolTestsCatch [ 58%] Built target graphmolTestsCatch Scanning dependencies of target testSGroup [ 58%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o [ 58%] Linking CXX executable testSGroup [ 58%] Built target testSGroup Scanning dependencies of target graphmolAdjustQueryCatch [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.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); | ^~~~~~~~~~~~~~~~~~~ [ 58%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_main.cpp.o [ 59%] Linking CXX executable graphmolAdjustQueryCatch [ 59%] Built target graphmolAdjustQueryCatch Scanning dependencies of target graphmoltestPicklerGlobalSetting [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o [ 59%] Linking CXX executable graphmoltestPicklerGlobalSetting [ 59%] Built target graphmoltestPicklerGlobalSetting Scanning dependencies of target graphmoltestChirality [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o [ 59%] Linking CXX executable graphmoltestChirality [ 59%] Built target graphmoltestChirality Scanning dependencies of target graphmolTest1 [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o [ 59%] Linking CXX executable graphmolTest1 [ 59%] Built target graphmolTest1 Scanning dependencies of target resMolSupplierTest [ 59%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o [ 59%] Linking CXX executable resMolSupplierTest [ 59%] Built target resMolSupplierTest Scanning dependencies of target graphmoltestPickler [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o [ 59%] Linking CXX executable graphmoltestPickler [ 59%] Built target graphmoltestPickler Scanning dependencies of target graphmolMolOpsTest [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o [ 59%] Linking CXX executable graphmolMolOpsTest [ 59%] Built target graphmolMolOpsTest Scanning dependencies of target hanoiTest [ 59%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o [ 60%] Linking CXX executable hanoiTest [ 60%] Built target hanoiTest Scanning dependencies of target molBundleTest [ 60%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o [ 60%] Linking CXX executable molBundleTest [ 60%] Built target molBundleTest Scanning dependencies of target testDepictor [ 60%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o [ 61%] Linking CXX executable testDepictor [ 61%] Built target testDepictor Scanning dependencies of target smiTest1 [ 61%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o [ 61%] Linking CXX executable smiTest1 [ 61%] Built target smiTest1 Scanning dependencies of target smiTestCatch [ 61%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/__/catch_main.cpp.o [ 61%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o [ 61%] Linking CXX executable smiTestCatch [ 61%] Built target smiTestCatch Scanning dependencies of target cxsmilesTest [ 61%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o [ 62%] Linking CXX executable cxsmilesTest [ 62%] Built target cxsmilesTest Scanning dependencies of target testMolWriter [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o [ 62%] Linking CXX executable testMolWriter [ 62%] Built target testMolWriter Scanning dependencies of target testSequence [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o [ 62%] Linking CXX executable testSequence [ 62%] Built target testSequence Scanning dependencies of target fileParsersTest1 [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o [ 62%] Linking CXX executable fileParsersTest1 [ 62%] Built target fileParsersTest1 Scanning dependencies of target testMolSupplier [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.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(); | ^ [ 62%] Linking CXX executable testMolSupplier [ 62%] Built target testMolSupplier Scanning dependencies of target testMultithreadedMolSupplier [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o [ 62%] Linking CXX executable testMultithreadedMolSupplier [ 62%] Built target testMultithreadedMolSupplier Scanning dependencies of target testExtendedStereoParsing [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o [ 62%] Linking CXX executable testExtendedStereoParsing [ 62%] Built target testExtendedStereoParsing Scanning dependencies of target testGeneralFileReader [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o [ 62%] Linking CXX executable testGeneralFileReader [ 62%] Built target testGeneralFileReader Scanning dependencies of target testTplParser [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o [ 62%] Linking CXX executable testTplParser [ 62%] Built target testTplParser Scanning dependencies of target testMol2ToMol [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o [ 62%] Linking CXX executable testMol2ToMol [ 62%] Built target testMol2ToMol Scanning dependencies of target fileParsersCatchTest [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o 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); | ^~~~~~~~~~~~~~~~~~ [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/catch_main.cpp.o [ 62%] Linking CXX executable fileParsersCatchTest [ 62%] Built target fileParsersCatchTest Scanning dependencies of target testPropertyLists [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o [ 62%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/catch_main.cpp.o [ 62%] Linking CXX executable testPropertyLists [ 62%] Built target testPropertyLists Scanning dependencies of target testSubstructMatch [ 62%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o [ 62%] Linking CXX executable testSubstructMatch [ 62%] Built target testSubstructMatch Scanning dependencies of target substructTestCatch [ 62%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o [ 63%] Linking CXX executable substructTestCatch [ 63%] Built target substructTestCatch Scanning dependencies of target testChemTransforms [ 63%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o [ 63%] Linking CXX executable testChemTransforms [ 63%] Built target testChemTransforms Scanning dependencies of target chemTransformsTestCatch [ 63%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o [ 63%] Linking CXX executable chemTransformsTestCatch [ 63%] Built target chemTransformsTestCatch Scanning dependencies of target filterCatalogTest [ 64%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o [ 64%] Linking CXX executable filterCatalogTest [ 64%] Built target filterCatalogTest Scanning dependencies of target testFragCatalog [ 64%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o [ 64%] Linking CXX executable testFragCatalog [ 64%] Built target testFragCatalog Scanning dependencies of target rdfragcatalog [ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o [ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o [ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o [ 65%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o [ 65%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o [ 65%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so [ 65%] Built target rdfragcatalog Scanning dependencies of target fpTestCatch [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o [ 65%] Linking CXX executable fpTestCatch [ 65%] Built target fpTestCatch Scanning dependencies of target testFingerprintGenerators [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o [ 65%] Linking CXX executable testFingerprintGenerators [ 65%] Built target testFingerprintGenerators Scanning dependencies of target testMHFPFingerprint [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o [ 65%] Linking CXX executable testMHFPFingerprint [ 65%] Built target testMHFPFingerprint Scanning dependencies of target testFingerprints [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o [ 66%] Linking CXX executable testFingerprints [ 66%] Built target testFingerprints Scanning dependencies of target testMolTransforms [ 66%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o [ 66%] Linking CXX executable testMolTransforms [ 66%] Built target testMolTransforms Scanning dependencies of target rdForceFieldHelpers [ 66%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o [ 66%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so [ 66%] Built target rdForceFieldHelpers Scanning dependencies of target O3AAlign [ 67%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o [ 67%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so [ 67%] Built target O3AAlign Scanning dependencies of target testFeatures [ 67%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o [ 67%] Linking CXX executable testFeatures [ 67%] Built target testFeatures Scanning dependencies of target testShapeHelpers [ 67%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o [ 67%] Linking CXX executable testShapeHelpers [ 67%] Built target testShapeHelpers Scanning dependencies of target testMolCatalog [ 67%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o [ 67%] Linking CXX executable testMolCatalog [ 67%] Built target testMolCatalog Scanning dependencies of target FMCS [ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o [ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o [ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o [ 68%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o [ 68%] Linking CXX shared library ../../../lib/libRDKitFMCS.so [ 68%] Built target FMCS Scanning dependencies of target MMPA [ 68%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o [ 68%] Linking CXX shared library ../../../lib/libRDKitMMPA.so [ 68%] Built target MMPA Scanning dependencies of target trajectoryTest [ 68%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o [ 68%] Linking CXX executable trajectoryTest [ 68%] Built target trajectoryTest Scanning dependencies of target substructLibraryTest [ 68%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o [ 68%] Linking CXX executable substructLibraryTest [ 68%] Built target substructLibraryTest Scanning dependencies of target RGroupDecomposition [ 69%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o [ 69%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o [ 69%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o [ 69%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o [ 69%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so [ 69%] Built target RGroupDecomposition Scanning dependencies of target molInterchangeTest1 [ 69%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o [ 69%] Linking CXX executable molInterchangeTest1 [ 69%] Built target molInterchangeTest1 Scanning dependencies of target rdmolfiles [ 69%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o [ 69%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.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 && | ~~^~~~~~~~~~~ [ 69%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.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 && | ~~^~~~~~~~~~~ [ 69%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o 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 && | ~~^~~~~~~~~~~ [ 70%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so [ 70%] Built target rdmolfiles Scanning dependencies of target testAbbreviations [ 70%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/__/catch_main.cpp.o [ 70%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o [ 70%] Linking CXX executable testAbbreviations [ 70%] Built target testAbbreviations Scanning dependencies of target Descriptors [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o [ 70%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o [ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o [ 72%] Building CXX object 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rdMolDescriptors [ 80%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o 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; | ~~~~~~^ [ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so [ 80%] Built target rdMolDescriptors Scanning dependencies of target testMMFFForceFieldHelpersMultiThread [ 80%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o [ 80%] Linking CXX executable testMMFFForceFieldHelpersMultiThread [ 80%] Built target testMMFFForceFieldHelpersMultiThread Scanning dependencies of target testMMFFForceFieldHelpers [ 80%] Building CXX object 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[ 86%] Built target Deprotect Scanning dependencies of target testRGroupDecomp [ 86%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o [ 86%] Linking CXX executable testRGroupDecomp [ 86%] Built target testRGroupDecomp Scanning dependencies of target rdRGroupDecomposition [ 86%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o 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 module ../../../../rdkit/Chem/rdRGroupDecomposition.so [ 86%] Built target rdRGroupDecomposition Scanning dependencies of target rdmolops [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o 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 && | ~~^~~~~~~~~~~ [ 87%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o [ 87%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so [ 87%] Built target rdmolops Scanning dependencies of target MolEnumerator [ 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%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so [ 87%] Built target MolEnumerator Scanning dependencies of target testInchi [ 87%] Building CXX object External/INCHI-API/CMakeFiles/testInchi.dir/test.cpp.o [ 87%] Linking CXX executable testInchi [ 87%] Built target testInchi Scanning dependencies of target testAvalonLib1 [ 88%] Building CXX object External/AvalonTools/CMakeFiles/testAvalonLib1.dir/test1.cpp.o [ 88%] Linking CXX executable testAvalonLib1 /nix/store/v8imx1nvyz0hgvx9cbcmh6gp4ngw3ffj-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' [ 88%] Built target testAvalonLib1 Scanning dependencies of target pyAvalonTools [ 89%] Building CXX object External/AvalonTools/Wrap/CMakeFiles/pyAvalonTools.dir/pyAvalonTools.cpp.o [ 89%] Linking CXX shared module ../../../rdkit/Avalon/pyAvalonTools.so [ 89%] Built target pyAvalonTools Scanning dependencies of target testMMFFForceField [ 89%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o [ 89%] Linking CXX executable testMMFFForceField [ 89%] Built target testMMFFForceField Scanning dependencies of target rxnTestCatch [ 89%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o [ 89%] Linking CXX executable rxnTestCatch [ 89%] Built target rxnTestCatch Scanning dependencies of target testEnumeration [ 89%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o [ 89%] Linking CXX executable testEnumeration [ 89%] Built target testEnumeration Scanning dependencies of target testReactionFingerprints [ 90%] Building CXX object 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Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o [ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o [ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o [ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o [ 91%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o [ 92%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so [ 92%] Built target MolStandardize Scanning dependencies of target moldraw2DRxnTest1 [ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o [ 93%] Linking CXX executable moldraw2DRxnTest1 [ 93%] Built target moldraw2DRxnTest1 Scanning dependencies of target moldraw2DTestCatch [ 93%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_main.cpp.o [ 93%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o [ 93%] Linking CXX executable moldraw2DTestCatch [ 93%] Built target moldraw2DTestCatch Scanning dependencies of target moldraw2DTest1 [ 93%] Building CXX object 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Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o [ 94%] Linking CXX executable molChargeTest [ 94%] Built target molChargeTest Scanning dependencies of target molFragmentTest [ 94%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o [ 95%] Linking CXX executable molFragmentTest [ 95%] Built target molFragmentTest Scanning dependencies of target molTautomerTest [ 95%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o [ 95%] Linking CXX executable molTautomerTest [ 95%] Built target molTautomerTest Scanning dependencies of target molStandardizeCatchTest [ 95%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o [ 95%] Linking CXX executable molStandardizeCatchTest [ 95%] Built target molStandardizeCatchTest Scanning dependencies of target molStandardizeSmallTest [ 96%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o [ 96%] Linking CXX executable molStandardizeSmallTest [ 96%] Built target molStandardizeSmallTest Scanning dependencies of target rdMolStandardize [ 96%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o [ 97%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o [ 97%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so [ 97%] Built target rdMolStandardize Scanning dependencies of target ScaffoldNetwork [ 97%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o [ 97%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so [ 97%] Built target ScaffoldNetwork Scanning dependencies of target testMolEnumerator [ 98%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/catch_main.cpp.o [ 98%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o [ 98%] Linking CXX executable testMolEnumerator [ 98%] Built target testMolEnumerator Scanning dependencies of target rdMolEnumerator [ 98%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o [ 98%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so [ 98%] Built target rdMolEnumerator Scanning dependencies of target TautomerQuery [ 98%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o [ 98%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so [ 98%] Built target TautomerQuery Scanning dependencies of target testScaffoldNetwork [ 99%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_main.cpp.o [ 99%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o 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 testScaffoldNetwork [ 99%] Built target testScaffoldNetwork Scanning dependencies of target rdScaffoldNetwork [100%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o [100%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so [100%] Built target rdScaffoldNetwork Scanning dependencies of target tautomerQueryTestCatch [100%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o [100%] Linking CXX executable tautomerQueryTestCatch [100%] Built target tautomerQueryTestCatch Scanning dependencies of target rdTautomerQuery [100%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o [100%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so [100%] Built target rdTautomerQuery glibPreInstallPhase installing install flags: SHELL=/nix/store/dpjnjrqbgbm8a5wvi1hya01vd8wyvsq4-bash-4.4-p23/bin/bash gsettingsschemadir=/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 [ 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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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/six.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Avalon -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Avalon/__init__.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/__init__.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Fragments.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/aggCanvas.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/MolDrawing.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/SimilarityMaps.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/FreeSans.ttf -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/mplCanvas.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/qtCanvas.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/__init__.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/canvasbase.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/IPythonConsole.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/spingCanvas.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/cairoCanvas.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MCS.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/AllChem.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Fraggle -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Fraggle/__init__.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Fraggle/FraggleSim.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/errors.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/charge.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/standardize.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/test_standardizer.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/tautomer.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/__init__.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/validations.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/utils.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/fragment.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/validate.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/metal.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/resonance.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/MolStandardize/normalize.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/inchi.py -- Installing: 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Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS/fontinfo.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/PS/pidPS.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/pid.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util/HTMLPiddler.py -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/sping/util/__init__.py -- Installing: 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/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/Catalogs/CatalogParams.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitGraphMol.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitGraphMol.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitGraphMol.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Atom.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/atomic_data.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/AtomIterators.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Bond.h -- Installing: 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/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FileParsers/MultithreadedSDMolSupplier.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FileParsers/PNGParser.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructMatch.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructMatch.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructMatch.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Substruct/SubstructMatch.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Substruct/SubstructUtils.h -- Installing: 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/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdfragcatalog.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitDescriptors.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitDescriptors.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitDescriptors.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Descriptors/Crippen.h -- Installing: 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/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdMolCatalog.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2D.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DSVG.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2Dwx.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DJS.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DUtils.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawText.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextSVG.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextJS.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolDraw2D.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/MolDraw2DCairo.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextCairo.h -- Up-to-date: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawText.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFT.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTSVG.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTJS.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/MolDraw2D/DrawTextFTCairo.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitFMCS.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitFMCS.so.1 -- Installing: 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Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitTrajectory.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Trajectory/Snapshot.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/Trajectory/Trajectory.h -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitSubstructLibrary.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: 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Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdmolops.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdqueries.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdmolfiles.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/python3.9/site-packages/rdkit/Chem/rdtrajectory.so -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so.1.2020.09.5 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so.1 -- Installing: /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5/lib/libRDKitMolStandardize.so -- Installing: 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/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5 checking for references to /build/ in /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-python3.9-rdkit-2020.09.5... Executing pythonRemoveTestsDir Finished executing pythonRemoveTestsDir running install tests ...... ---------------------------------------------------------------------- Ran 6 tests in 0.152s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.064s OK ....[23:36:55] **** 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 0.015s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.014s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.014s OK ...................... ---------------------------------------------------------------------- Ran 22 tests in 0.050s OK .....s........../nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.235s OK (skipped=3) ..s ---------------------------------------------------------------------- Ran 3 tests in 0.241s OK (skipped=1) ................................... ---------------------------------------------------------------------- Ran 35 tests in 1.061s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.032s OK . ---------------------------------------------------------------------- Ran 1 test in 0.015s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.068s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.078s OK .ss.ss....... ---------------------------------------------------------------------- Ran 13 tests in 1.562s 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'} .........[23:38:05] WARNING: More than one matching pattern found - picking one [23:38:05] WARNING: More than one matching pattern found - picking one .[23:38:05] WARNING: More than one matching pattern found - picking one .. ---------------------------------------------------------------------- Ran 20 tests in 51.307s OK ...../nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.173s OK /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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) ....[23:38:14] WARNING: not removing hydrogen atom without neighbors [23:38:14] WARNING: not removing hydrogen atom without neighbors [23:38:14] WARNING: not removing hydrogen atom without neighbors ......... ---------------------------------------------------------------------- Ran 13 tests in 5.113s OK [23:38:15] WARNING: Omitted undefined stereo [23:38:15] 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 15.809s FAILED (failures=2) .... ---------------------------------------------------------------------- Ran 4 tests in 1.878s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.521s OK ..............s..s........ ---------------------------------------------------------------------- Ran 26 tests in 3.405s OK (skipped=2) ............./nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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) .[23:38:57] WARNING: More than one matching pattern found - picking one [23:38:57] WARNING: More than one matching pattern found - picking one ........... ---------------------------------------------------------------------- Ran 25 tests in 13.927s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.080s OK ..s... ---------------------------------------------------------------------- Ran 6 tests in 1.101s OK (skipped=1) .[23:39:03] WARNING: not removing hydrogen atom without neighbors .[23:39:03] WARNING: not removing hydrogen atom without neighbors .[23:39:03] WARNING: no name column found on line 1 [23:39:03] WARNING: no name column found on line 2 [23:39:03] WARNING: no name column found on line 3 [23:39:03] WARNING: no name column found on line 4 [23:39:03] WARNING: no name column found on line 5 [23:39:03] WARNING: no name column found on line 6 [23:39:03] WARNING: no name column found on line 7 [23:39:03] WARNING: no name column found on line 8 [23:39:03] WARNING: no 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---------------------------------------------------------------------- Ran 9 tests in 0.216s OK .................. ---------------------------------------------------------------------- Ran 18 tests in 1.206s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.158s OK ./nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.050s OK /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.029s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.022s OK /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.132s OK ........ ---------------------------------------------------------------------- Ran 8 tests in 0.003s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.008s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.003s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.007s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.020s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.026s OK .... ---------------------------------------------------------------------- Ran 4 tests in 4.447s OK ........./nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.075s OK . ---------------------------------------------------------------------- Ran 1 test in 0.001s OK .......... ---------------------------------------------------------------------- Ran 10 tests in 0.008s OK ..../nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.133s OK /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 8.821s OK . ---------------------------------------------------------------------- Ran 1 test in 0.001s OK /nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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) ...[23:39:54] **** 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 0.030s OK .. ---------------------------------------------------------------------- Ran 2 tests in 24.703s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.170s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.017s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.033s OK .....[23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors [23:40:28] WARNING: not removing hydrogen atom without neighbors ..... ---------------------------------------------------------------------- Ran 10 tests in 0.593s OK ssssss[23:40:32] No suitable metadata found. .[23:40:32] No suitable metadata found. ......s/nix/store/wq09v7rpznic76dsvdwhjh0qwzqbvnbp-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 0.468s OK (skipped=7) s ---------------------------------------------------------------------- Ran 1 test in 0.000s OK (skipped=1) .......... ---------------------------------------------------------------------- Ran 10 tests in 1.061s OK ..[23:40:41] SMARTS Parse Error: syntax error while parsing: boromicacid [23:40:41] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' [23:40:41] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide [23:40:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' [23:40:41] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride [23:40:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' [23:40:41] reaction has no reactants [23:40:41] reaction has no products [23:40:41] initialization failed [23:40:41] reaction has no reactants [23:40:41] reaction has no products . ---------------------------------------------------------------------- Ran 3 tests in 0.050s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.016s OK ................[23:40:47] ERROR: [23:40:47] ERROR: . ---------------------------------------------------------------------- Ran 17 tests in 0.063s OK !!! TEST FAILURE: python UnitTestInchi.py {} !-!-!-!-!-!-!-!-!-!-! Script: test_list.py. Failed 1 (of 41) tests in 237.05 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