Updated RDKit to 2024.09.1 #4
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| name: RDKit Mac | |
| on: | |
| push: | |
| branches: | |
| - "**" | |
| tags-ignore: | |
| - "*" | |
| paths: | |
| - .github/workflows/rdkit-mac.yml | |
| jobs: | |
| build: | |
| runs-on: macos-13 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - run: | | |
| brew install boost | |
| git clone --recursive --branch Release_2024_09_1 https://github.com/rdkit/rdkit.git | |
| cd rdkit | |
| cmake -S . -B build \ | |
| -DRDK_BUILD_CFFI_LIB=ON \ | |
| -DRDK_BUILD_COORDGEN_SUPPORT=OFF \ | |
| -DRDK_BUILD_CPP_TESTS=OFF \ | |
| -DRDK_BUILD_DESCRIPTORS3D=OFF \ | |
| -DRDK_BUILD_FREETYPE_SUPPORT=OFF \ | |
| -DRDK_BUILD_INCHI_SUPPORT=OFF \ | |
| -DRDK_BUILD_MAEPARSER_SUPPORT=OFF \ | |
| -DRDK_BUILD_PYTHON_WRAPPERS=OFF \ | |
| -DRDK_BUILD_QT_SUPPORT=OFF \ | |
| -DRDK_BUILD_SLN_SUPPORT=OFF \ | |
| -DRDK_OPTIMIZE_POPCNT=OFF \ | |
| -DRDK_TEST_MMFF_COMPLIANCE=OFF \ | |
| -DRDK_TEST_MULTITHREADED=OFF \ | |
| -DRDK_USE_BOOST_IOSTREAMS=OFF \ | |
| -DRDK_USE_BOOST_SERIALIZATION=OFF \ | |
| -DRDK_USE_BOOST_STACKTRACE=OFF \ | |
| -DRDK_USE_URF=OFF | |
| cmake --build build --parallel 4 | |
| mkdir dist | |
| cp build/lib/librdkitcffi.2024.09.1.dylib dist/librdkitcffi.dylib | |
| cp license.txt dist/rdkit-license.txt | |
| cp Code/GraphMol/ChemReactions/license.txt dist/ChemReactions-license.txt | |
| cp External/rapidjson-1.1.0/license.txt dist/rapidjson-license.txt | |
| # Boost does not require license file for machine-executable object code | |
| # Eigen not used if -DRDK_BUILD_DESCRIPTORS3D=OFF | |
| # InChI not used if -DRDK_BUILD_INCHI_SUPPORT=OFF | |
| # FreeType not used if -DRDK_BUILD_FREETYPE_SUPPORT=OFF | |
| # CoordGen (coordgen and maeparser) not used if both -DRDK_BUILD_COORDGEN_SUPPORT=OFF and -DRDK_BUILD_MAEPARSER_SUPPORT=OFF | |
| # RingDecomposerLib not used if -DRDK_USE_URF=OFF | |
| env: | |
| MACOSX_DEPLOYMENT_TARGET: 11.0 | |
| - uses: actions/upload-artifact@v4 | |
| with: | |
| name: rdkit-2024.09.1-x86_64-darwin | |
| path: rdkit/dist |