Add Builtin LDA Electron-Proton Correlation Functionals #50
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 | |
| jobs: | |
| release_build: | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/compiler-zoo | |
| strategy: | |
| matrix: | |
| compiler: [ {suite: gnu, version: 12}, {suite: llvm, version: 14} ] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Setup Compiler | |
| shell: bash | |
| run: $GITHUB_WORKSPACE/.github/workflows/scripts/compiler_setup.sh | |
| ${{matrix.compiler.suite}} ${{matrix.compiler.version}} | |
| - 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_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: | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/compiler-zoo | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - 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_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 | |
| libxc_versions: | |
| name: Test Libxc Compatibility | |
| needs: release_build | |
| runs-on: ubuntu-latest | |
| container: | |
| image: dbwy/compiler-zoo | |
| strategy: | |
| matrix: | |
| libxc_version: [ 6.2.0 ] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - 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: Setup Libxc | |
| shell: bash | |
| run: | | |
| git clone https://gitlab.com/libxc/libxc.git ${{runner.workspace}}/libxc | |
| git -C ${{runner.workspace}}/libxc checkout ${{matrix.libxc_version}} | |
| - name: Configure CMake | |
| shell: bash | |
| run: cmake -S $GITHUB_WORKSPACE -B ${{runner.workspace}}/build | |
| -DCMAKE_INSTALL_PREFIX=${{runner.workspace}}/install | |
| -DFETCHCONTENT_SOURCE_DIR_LIBXC=${{runner.workspace}}/libxc | |
| -DCMAKE_TOOLCHAIN_FILE=${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/compiler-zoo | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - 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/test/cmake/subproject | |
| -B ${{runner.workspace}}/cmake_subproject_build | |
| -DGIT_REVISION=$GITHUB_HEAD_REF | |
| -DFETCHCONTENT_SOURCE_DIR_EXCHCXX=$GITHUB_WORKSPACE | |
| -DCMAKE_TOOLCHAIN_FILE=${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/compiler-zoo | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - 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_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/test/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 |