Enable Azure Pipelines builds for CI (#2409)

* working build * enable parallel building under linux, windows * publish test results to azure
2026-06-03 21:44:30 +08:00 · 2019-04-15 22:55:22 -04:00
parent d0520ef2a6
commit af8ee5f063
4 changed files with 234 additions and 0 deletions
--- a/.azure-pipelines/linux_build.yml
+++ b/.azure-pipelines/linux_build.yml
@@ -0,0 +1,60 @@
+steps:
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    sudo chown -R ${USER} ${CONDA}
+    conda config --set always_yes yes --set changeps1 no
+    conda update -q conda
+    conda info -a
+    conda create --name rdkit_build $(compiler) cmake \
+        boost-cpp=$(boost_version) boost=$(boost_version) \
+        py-boost=$(boost_version) libboost=$(boost_version) \
+        numpy matplotlib cairo pillow eigen pandas
+  displayName: Setup build environment
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    mkdir build && cd build && \
+    cmake .. \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DRDK_INSTALL_INTREE=ON \
+    -DRDK_INSTALL_STATIC_LIBS=OFF \
+    -DRDK_BUILD_CPP_TESTS=ON \
+    -DRDK_BUILD_PYTHON_WRAPPERS=ON \
+    -DRDK_USE_BOOST_REGEX=ON \
+    -DRDK_BUILD_COORDGEN_SUPPORT=ON \
+    -DRDK_OPTIMIZE_NATIVE=ON \
+    -DRDK_BUILD_TEST_GZIP=ON \
+    -DRDK_BUILD_FREESASA_SUPPORT=ON \
+    -DRDK_BUILD_AVALON_SUPPORT=ON \
+    -DRDK_BUILD_INCHI_SUPPORT=ON \
+    -DRDK_BUILD_SWIG_WRAPPERS=OFF \
+    -DRDK_SWIG_STATIC=OFF \
+    -DRDK_BUILD_THREADSAFE_SSS=ON \
+    -DRDK_TEST_MULTITHREADED=ON \
+    -DBoost_NO_SYSTEM_PATHS=ON \
+    -DRDK_BOOST_PYTHON3_NAME=$(python_name) \
+    -DPYTHON_EXECUTABLE=${CONDA_PREFIX}/bin/python3 \
+    -DCMAKE_INCLUDE_PATH="${CONDA_PREFIX}/include" \
+    -DCMAKE_LIBRARY_PATH="${CONDA_PREFIX}/lib"
+  displayName: Configure build (Run CMake)
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    cd build
+    make -j $( $(number_of_cores) ) install
+  displayName: Build
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    export RDBASE=`pwd`
+    export PYTHONPATH=${RDBASE}:${PYTHONPATH}
+    export LD_LIBRARY_PATH=${RDBASE}/lib:${LD_LIBRARY_PATH}
+    export QT_QPA_PLATFORM='offscreen'
+    cd build
+    ctest -j $( $(number_of_cores) ) --output-on-failure -T Test
+  displayName: Run tests
+- task: PublishTestResults@2
+  inputs:
+    testResultsFormat: 'CTest'
+    testResultsFiles: 'build/Testing/*/Test.xml'
+    testRunTitle: $(system.phasedisplayname) CTest Test Run
--- a/.azure-pipelines/mac_build.yml
+++ b/.azure-pipelines/mac_build.yml
@@ -0,0 +1,80 @@
+steps:
+- bash: |
+    wget https://github.com/phracker/MacOSX-SDKs/releases/download/10.13/MacOSX$(target_platform).sdk.tar.xz
+    tar Jxvf MacOSX$(target_platform).sdk.tar.xz
+  displayName: Install MacOSX $(target_platform) SDK
+- script: |
+    echo "Removing homebrew from Azure to avoid conflicts."
+    curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/uninstall > ~/uninstall_homebrew
+    chmod +x ~/uninstall_homebrew
+    ~/uninstall_homebrew -fq
+    rm ~/uninstall_homebrew
+  displayName: Remove homebrew
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    sudo chown -R ${USER} ${CONDA}
+    mkdir -p $HOME/.matplotlib
+    echo -e "backend: TkAgg\n" > $HOME/.matplotlib/matplotlibrc
+    conda config --set always_yes yes --set changeps1 no
+    conda update -q conda
+    conda create --name rdkit_build $(compiler) cmake \
+        boost-cpp=$(boost_version) boost=$(boost_version) \
+        py-boost=$(boost_version) libboost=$(boost_version) \
+        numpy matplotlib cairo pillow eigen pandas
+  displayName: Setup build environment
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    export SDKROOT="$(pwd)/MacOSX$(target_platform).sdk/"
+    export CONDA_BUILD_SYSROOT=${SDKROOT}
+    mkdir build && cd build && \
+    cmake .. \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DRDK_INSTALL_INTREE=ON \
+    -DRDK_INSTALL_STATIC_LIBS=OFF \
+    -DRDK_BUILD_CPP_TESTS=ON \
+    -DRDK_BUILD_PYTHON_WRAPPERS=ON \
+    -DRDK_USE_BOOST_REGEX=ON \
+    -DRDK_BUILD_COORDGEN_SUPPORT=ON \
+    -DRDK_OPTIMIZE_NATIVE=ON \
+    -DRDK_BUILD_TEST_GZIP=ON \
+    -DRDK_BUILD_FREESASA_SUPPORT=ON \
+    -DRDK_BUILD_AVALON_SUPPORT=ON \
+    -DRDK_BUILD_INCHI_SUPPORT=ON \
+    -DRDK_BUILD_SWIG_WRAPPERS=OFF \
+    -DRDK_SWIG_STATIC=OFF \
+    -DRDK_BUILD_THREADSAFE_SSS=ON \
+    -DRDK_TEST_MULTITHREADED=ON \
+    -DBoost_NO_SYSTEM_PATHS=ON \
+    -DCMAKE_OSX_SYSROOT=${SDKROOT} \
+    -DCMAKE_OSX_DEPLOYMENT_TARGET=$(target_platform) \
+    -DRDK_BOOST_PYTHON3_NAME=$(python_name) \
+    -DPYTHON_EXECUTABLE=${CONDA_PREFIX}/bin/python3 \
+    -DCMAKE_INCLUDE_PATH="${CONDA_PREFIX}/include" \
+    -DCMAKE_LIBRARY_PATH="${CONDA_PREFIX}/lib"
+  displayName: Configure build (Run CMake)
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    export SDKROOT="$(pwd)/MacOSX$(target_platform).sdk/"
+    export CONDA_BUILD_SYSROOT=${SDKROOT}
+    cd build
+    make -j $( $(number_of_cores) ) install
+  displayName: Build
+- bash: |
+    source ${CONDA}/etc/profile.d/conda.sh
+    conda activate rdkit_build
+    export RDBASE=`pwd`
+    export PYTHONPATH=${RDBASE}:${PYTHONPATH}
+    export DYLD_FALLBACK_LIBRARY_PATH=${RDBASE}/lib:${RDBASE}/rdkit:${CONDA_PREFIX}/lib:${DYLD_FALLBACK_LIBRARY_PATH}
+    export SDKROOT="$(pwd)/MacOSX$(target_platform).sdk/"
+    export CONDA_BUILD_SYSROOT=${SDKROOT}
+    export QT_QPA_PLATFORM='offscreen'
+    cd build
+    ctest -j $( $(number_of_cores) ) --output-on-failure -T Test
+  displayName: Run tests
+- task: PublishTestResults@2
+  inputs:
+    testResultsFormat: 'CTest'
+    testResultsFiles: 'build/Testing/*/Test.xml'
+    testRunTitle: $(system.phasedisplayname) CTest Test Run
--- a/.azure-pipelines/vs_build.yml
+++ b/.azure-pipelines/vs_build.yml
@@ -0,0 +1,56 @@
+steps:
+- powershell: Write-Host "##vso[task.prependpath]$env:CONDA\Scripts"
+  displayName: Setup build environment
+- script: |
+    conda config --set always_yes yes --set changeps1 no
+    conda update -q conda
+    conda info -a
+    conda create --name rdkit_build $(compiler) cmake ^
+        boost-cpp=$(boost_version) boost=$(boost_version) ^
+        py-boost=$(boost_version) libboost=$(boost_version) ^
+        numpy matplotlib cairo pillow eigen pandas
+  displayName: Install dependencies
+- script: |
+    set Boost_ROOT=
+    mkdir build && cd build
+    call activate rdkit_build
+    cmake .. ^
+    -G "Visual Studio 15 2017 Win64" ^
+    -DCMAKE_BUILD_TYPE=Release ^
+    -DRDK_INSTALL_INTREE=ON ^
+    -DRDK_INSTALL_STATIC_LIBS=OFF ^
+    -DRDK_BUILD_CPP_TESTS=ON ^
+    -DRDK_BUILD_PYTHON_WRAPPERS=ON ^
+    -DRDK_USE_BOOST_REGEX=ON ^
+    -DRDK_BUILD_COORDGEN_SUPPORT=ON ^
+    -DRDK_OPTIMIZE_NATIVE=ON ^
+    -DRDK_BUILD_TEST_GZIP=ON ^
+    -DRDK_BUILD_FREESASA_SUPPORT=OFF ^
+    -DRDK_BUILD_AVALON_SUPPORT=ON ^
+    -DRDK_BUILD_INCHI_SUPPORT=ON ^
+    -DRDK_BUILD_THREADSAFE_SSS=ON ^
+    -DRDK_BUILD_SWIG_WRAPPERS=OFF ^
+    -DRDK_SWIG_STATIC=OFF ^
+    -DRDK_TEST_MULTITHREADED=ON ^
+    -DRDK_BOOST_PYTHON3_NAME=$(python_name) ^
+    -DCMAKE_INCLUDE_PATH=%CONDA_PREFIX%/Library/include ^
+    -DCMAKE_LIBRARY_PATH="%CONDA_PREFIX%/Library/lib
+  displayName: Configure build (Run CMake)
+- script: |
+    call activate rdkit_build
+    cd build
+    cmake --build . --config Release --target install -j $(number_of_cores)
+  displayName: Build
+- script: |
+    call activate rdkit_build
+    set RDBASE=%cd%
+    set PYTHONPATH=%RDBASE%;%PYTHONPATH%
+    set PATH=%RDBASE%\lib;%PATH%
+    cd build
+    ctest -j $(number_of_cores) --output-on-failure -T Test
+  displayName: Run tests
+- task: PublishTestResults@2
+  inputs:
+    testResultsFormat: 'CTest'
+    testResultsFiles: 'build/Testing/*/Test.xml'
+    testRunTitle: $(system.phasedisplayname)  CTest Test Run
--- a/azure-pipelines.yml
+++ b/azure-pipelines.yml
@@ -0,0 +1,38 @@
+trigger:
+- master
+
+jobs:
+- job: Ubuntu_16_04_x64
+  timeoutInMinutes: 90
+  pool:
+    vmImage: ubuntu-16.04
+  variables:
+    compiler: gxx_linux-64=7.2.0
+    boost_version: 1.67.0
+    number_of_cores: nproc
+    python_name: python37
+  steps:
+  - template: .azure-pipelines/linux_build.yml
+- job: macOS_10_13_x64
+  timeoutInMinutes: 90
+  pool:
+    vmImage: macos-10.13
+  variables:
+    compiler: clangxx_osx-64
+    boost_version: 1.67.0
+    number_of_cores: sysctl -n hw.ncpu
+    python_name: python37
+    target_platform: 10.9
+  steps:
+  - template: .azure-pipelines/mac_build.yml
+- job: Windows_VS2017_x64
+  timeoutInMinutes: 90
+  pool:
+    vmImage: vs2017-win2016
+  variables:
+    compiler: vs2017_win-64
+    boost_version: 1.67.0
+    number_of_cores: '%NUMBER_OF_PROCESSORS%'
+    python_name: python37
+  steps:
+  - template: .azure-pipelines/vs_build.yml