mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
83 lines
3.1 KiB
YAML
83 lines
3.1 KiB
YAML
steps:
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- bash: |
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export CONDA=/tmp/miniforge
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wget https://github.com/conda-forge/miniforge/releases/download/24.9.0-0/Miniforge3-24.9.0-0-MacOSX-x86_64.sh
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bash Miniforge3-24.9.0-0-MacOSX-x86_64.sh -b -p ${CONDA}
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displayName: install conda
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- script: |
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echo "Removing homebrew from Azure to avoid conflicts."
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curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/uninstall > ~/uninstall_homebrew
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chmod +x ~/uninstall_homebrew
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~/uninstall_homebrew -fq
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rm ~/uninstall_homebrew
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displayName: Remove homebrew
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- bash: |
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export CONDA=/tmp/miniforge
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source ${CONDA}/etc/profile.d/conda.sh
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sudo chown -R ${USER} ${CONDA}
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mkdir -p $HOME/.matplotlib
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echo -e "backend: TkAgg\n" > $HOME/.matplotlib/matplotlibrc
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conda config --set always_yes yes --set changeps1 no
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conda update -q conda
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conda create --name rdkit_build -c conda-forge $(compiler) \
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libcxx=$(compiler_version) cmake=3.26 \
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libboost=$(boost_version) \
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libboost-devel=$(boost_version) \
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cairo eigen swig=4.2
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conda activate rdkit_build
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displayName: Setup build environment
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- bash: |
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export CONDA=/tmp/miniforge
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source ${CONDA}/etc/profile.d/conda.sh
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conda activate rdkit_build
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export SDKROOT=/Library/Developer/CommandLineTools/SDKs/MacOSX$(target_platform).sdk
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export CONDA_BUILD_SYSROOT=${SDKROOT}
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mkdir build && cd build && \
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cmake .. \
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-DCMAKE_BUILD_TYPE=Release \
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-DRDK_INSTALL_INTREE=ON \
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-DRDK_INSTALL_STATIC_LIBS=ON \
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-DRDK_BUILD_CPP_TESTS=OFF \
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-DRDK_BUILD_PYTHON_WRAPPERS=OFF \
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-DRDK_BUILD_COORDGEN_SUPPORT=ON \
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-DRDK_BUILD_MAEPARSER_SUPPORT=ON \
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-DRDK_OPTIMIZE_POPCNT=ON \
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-DRDK_BUILD_TEST_GZIP=OFF \
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-DRDK_BUILD_FREESASA_SUPPORT=ON \
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-DRDK_BUILD_AVALON_SUPPORT=ON \
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-DRDK_BUILD_INCHI_SUPPORT=ON \
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-DRDK_BUILD_YAEHMOP_SUPPORT=ON \
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-DRDK_BUILD_XYZ2MOL_SUPPORT=ON \
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-DRDK_BUILD_SWIG_WRAPPERS=ON \
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-DRDK_SWIG_STATIC=ON \
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-DRDK_BUILD_THREADSAFE_SSS=ON \
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-DRDK_TEST_MULTITHREADED=ON
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displayName: Configure build (Run CMake)
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- bash: |
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export CONDA=/tmp/miniforge
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source ${CONDA}/etc/profile.d/conda.sh
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conda activate rdkit_build
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export SDKROOT=/Library/Developer/CommandLineTools/SDKs/MacOSX$(target_platform).sdk
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export CONDA_BUILD_SYSROOT=${SDKROOT}
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cd build
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make -j $( $(number_of_cores) ) install
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displayName: Build
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- bash: |
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export CONDA=/tmp/miniforge
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source ${CONDA}/etc/profile.d/conda.sh
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conda activate rdkit_build
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export RDBASE=`pwd`
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export PYTHONPATH=${RDBASE}:${PYTHONPATH}
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export DYLD_FALLBACK_LIBRARY_PATH=${RDBASE}/lib:${RDBASE}/rdkit:${CONDA_PREFIX}/lib:${DYLD_FALLBACK_LIBRARY_PATH}
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export SDKROOT=/Library/Developer/CommandLineTools/SDKs/MacOSX$(target_platform).sdk
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export CONDA_BUILD_SYSROOT=${SDKROOT}
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export QT_QPA_PLATFORM='offscreen'
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cd build
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ctest -j $( $(number_of_cores) ) --output-on-failure -T Test
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displayName: Run tests
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- task: PublishTestResults@2
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inputs:
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testResultsFormat: 'CTest'
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testResultsFiles: 'build/Testing/*/Test.xml'
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testRunTitle: $(system.phasedisplayname) CTest Test Run
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