Feature: Add Pulay Mixing #161
Workflow file for this run
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| name: Build Test | |
| on: | |
| push: | |
| paths-ignore: | |
| - 'docs/**' | |
| pull_request: | |
| paths-ignore: | |
| - 'docs/**' | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| include: | |
| - tag: gnu | |
| build_args: "" | |
| name: "Build with GNU compilers" | |
| - tag: gnu | |
| build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1" | |
| name: "Build with GNU compilers and extra components" | |
| - tag: intel | |
| build_args: "" | |
| name: "Build with Intel compilers" | |
| - tag: cuda | |
| build_args: "-DUSE_CUDA=1" | |
| name: "Build with CUDA kit" | |
| - tag: intel | |
| build_args: "-DENABLE_LCAO=OFF" | |
| name: "Build without LCAO" | |
| - tag: intel | |
| build_args: "-DENABLE_MPI=0" | |
| name: "Build with Intel compilers without LCAO and MPI" | |
| - tag: gnu | |
| build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1 -DUSE_ELPA=0" | |
| name: "Build with GNU compilers and extra components without ELPA" | |
| - tag: gnu | |
| build_args: "-DENABLE_MPI=0" | |
| name: "Build with GNU compilers without LCAO and MPI" | |
| name: ${{ matrix.name }} | |
| container: ghcr.io/deepmodeling/abacus-${{ matrix.tag }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v3 | |
| - name: Build | |
| run: | | |
| git config --global --add safe.directory `pwd` | |
| cmake -B build -DBUILD_TESTING=ON ${{ matrix.build_args }} | |
| cmake --build build -j2 |