Allow building of shared libraries #255
Workflow file for this run
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| name: Build and Test - Compiler Zoo | |
| on: [pull_request, workflow_dispatch] | |
| env: | |
| GH_ACTIONS_TOOLCHAIN: .github/workflows/toolchains/gh-actions.cmake | |
| ENV_PREFIX_PATH: "/home/software/install/blis-lp64-sequential;/usr/local/libxc/exchcxx-patch" | |
| jobs: | |
| release_build: | |
| name: Release Build and Test | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/chemistry | |
| strategy: | |
| matrix: | |
| compiler: | |
| - {suite: gnu, version: 12} | |
| - {suite: llvm, version: 19} | |
| mpi_flag: [ON, OFF] | |
| openmp_flag: [ON, OFF] | |
| exclude: | |
| - compiler: {suite: llvm, version: 19} | |
| openmp_flag: ON | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install LLVM toolchain | |
| if: ${{ matrix.compiler.suite == 'llvm' }} | |
| shell: bash | |
| run: | | |
| set -euo pipefail | |
| apt-get update | |
| apt-get install -y wget gnupg lsb-release software-properties-common | |
| wget https://apt.llvm.org/llvm.sh | |
| chmod +x llvm.sh | |
| ./llvm.sh ${{ matrix.compiler.version }} -y | |
| - name: Setup Compiler | |
| shell: bash | |
| run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh | |
| ${{matrix.compiler.suite}} ${{matrix.compiler.version}} | |
| - name: Enable or Disable MPI | |
| shell: bash | |
| run: echo "set(GAUXC_ENABLE_MPI ${{matrix.mpi_flag}} CACHE BOOL \"\" FORCE)" >> | |
| ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Enable or Disable OpenMP | |
| shell: bash | |
| run: echo "set(GAUXC_ENABLE_OPENMP ${{matrix.openmp_flag}} CACHE BOOL \"\" FORCE)" >> | |
| ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Setup Build Type | |
| shell: bash | |
| run: echo "set(CMAKE_BUILD_TYPE Release CACHE BOOL \"\" FORCE)" >> | |
| ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Configure CMake | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build | |
| -DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install | |
| -DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH} | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build -j2 | |
| - name: Test | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build --target test | |
| nvidia_build: | |
| name: NVIDIA Build (No Test) | |
| runs-on: ubuntu-latest | |
| #needs: release_build | |
| container: | |
| image: dbwy/chemistry-gpu | |
| #options: --gpus all | |
| strategy: | |
| matrix: | |
| flags: [ {magma: OFF, cutlass: OFF}, {magma: ON, cutlass: OFF}, {magma: OFF, cutlass: ON} ] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Build Type | |
| shell: bash | |
| run: echo "set(CMAKE_BUILD_TYPE Release CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Setup Enable CUDA | |
| shell: bash | |
| run: | | |
| echo "set(GAUXC_ENABLE_CUDA ON CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| echo "set(CMAKE_CUDA_ARCHITECTURES 80 CACHE STRING \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| echo "set(GAUXC_ENABLE_MAGMA ${{matrix.flags.magma}} CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| echo "set(GAUXC_ENABLE_CUTLASS ${{matrix.flags.cutlass}} CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| echo "set(GAUXC_ENABLE_MPI OFF CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| echo "set(MAGMA_ROOT_DIR \"/usr/local/magma/2.6.2/install\" CACHE PATH \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Configure CMake | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build | |
| -DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install | |
| -DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH} | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build -j2 | |
| #- name: Test | |
| # shell: bash | |
| # run: cmake --build ${{runner.workspace}}/build --target test | |
| debug_build: | |
| name: Debug Build and Test | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/chemistry | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Compiler | |
| shell: bash | |
| run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12 | |
| - name: Setup Build Type | |
| shell: bash | |
| run: echo "set(CMAKE_BUILD_TYPE Debug CACHE BOOL \"\" FORCE)" >> ${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Configure CMake | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build | |
| -DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install | |
| -DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH} | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build -j2 | |
| - name: Test | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build --target test | |
| subproject_build: | |
| name: Build as Subproject | |
| needs: release_build | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/chemistry | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Compiler | |
| shell: bash | |
| run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12 | |
| - name: CMake Subproject Configure | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE/tests/cmake/subproject | |
| -B ${{runner.workspace}}/cmake_subproject_build | |
| -DGITHUB_REPOSITORY=$GITHUB_ACTOR/GauXC | |
| -DGIT_REVISION=$GITHUB_HEAD_REF | |
| -DFETCHCONTENT_SOURCE_DIR_GAUXC=$GITHUB_WORKSPACE | |
| -DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH} | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: CMake Subproject Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/cmake_subproject_build -j2 | |
| cmake_discovery: | |
| name: CMake Discovery | |
| needs: release_build | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/chemistry | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Setup Compiler | |
| shell: bash | |
| run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh gnu 12 | |
| - name: Configure CMake | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build | |
| -DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install | |
| -DCMAKE_PREFIX_PATH=${ENV_PREFIX_PATH} | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build -j2 | |
| - name: Install | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/build --target install | |
| - name: CMake Discovery Configure | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE/tests/cmake/discovery -B ${{runner.workspace}}/cmake_discovery_build | |
| -DCMAKE_PREFIX_PATH="${{runner.workspace}}/install;${ENV_PREFIX_PATH}" | |
| -DCMAKE_TOOLCHAIN_FILE=${GITHUB_WORKSPACE}/${GH_ACTIONS_TOOLCHAIN} | |
| - name: CMake Discovery Build | |
| shell: bash | |
| run: cmake --build ${{runner.workspace}}/cmake_discovery_build -j2 | |
| macos_build: | |
| name: macOS Build and Test | |
| runs-on: macos-14 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: mamba-org/setup-micromamba@v2 | |
| with: | |
| environment-name: gauxc | |
| create-args: >- | |
| python=3.11 | |
| c-compiler | |
| cxx-compiler | |
| fortran-compiler | |
| mpich | |
| cmake | |
| hdf5 | |
| openblas | |
| ccache | |
| init-shell: bash | |
| cache-environment: true | |
| - name: Setup ccache | |
| shell: micromamba-shell {0} | |
| run: | | |
| ccache --set-config=max_size=2G | |
| ccache --set-config=compression=true | |
| echo "CMAKE_C_COMPILER_LAUNCHER=ccache" >> $GITHUB_ENV | |
| echo "CMAKE_CXX_COMPILER_LAUNCHER=ccache" >> $GITHUB_ENV | |
| - name: Restore ccache | |
| uses: actions/cache@v4 | |
| with: | |
| path: ~/.ccache | |
| key: ccache-macos-${{ github.sha }} | |
| restore-keys: | | |
| ccache-macos- | |
| - name: Build | |
| shell: micromamba-shell {0} | |
| run: | | |
| cmake -S . -B build \ | |
| -DCMAKE_BUILD_TYPE=Release \ | |
| -DGAUXC_ENABLE_MPI=ON \ | |
| -DGAUXC_ENABLE_TESTS=ON \ | |
| -DBUILD_TESTING=ON \ | |
| -DCMAKE_POLICY_VERSION_MINIMUM=3.5 | |
| cmake --build build -j3 | |
| - name: ccache statistics | |
| shell: micromamba-shell {0} | |
| run: ccache --show-stats | |
| - name: Test | |
| shell: micromamba-shell {0} | |
| run: ctest --test-dir build --output-on-failure |