Fix 007_PW_UPF201_USPP_Fe in 01_PW: G=0 indexing in nspin=2 mixing in… #634
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| name: Build Test | |
| on: | |
| push: | |
| pull_request: | |
| defaults: | |
| run: | |
| shell: bash | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - tag: gnu | |
| build_args: "" | |
| name: "Build with GNU toolchain" | |
| - tag: intel | |
| external_toolchain_args: "--with-intel" | |
| build_args: "" | |
| name: "Build with Intel toolchain" | |
| - tag: gnu | |
| external_toolchain_args: "" | |
| build_args: "-DENABLE_LIBXC=ON -DENABLE_MLALGO=ON -DENABLE_LIBRI=ON -DENABLE_DFTD4=ON" | |
| name: "Build extra components with GNU toolchain" | |
| - tag: intel | |
| external_toolchain_args: "--with-intel" | |
| build_args: "-DENABLE_LIBXC=ON -DENABLE_PEXSI=ON -DENABLE_MLALGO=ON -DENABLE_LIBRI=ON -DENABLE_DFTD4=ON" | |
| name: "Build extra components with Intel toolchain" | |
| - tag: cuda | |
| external_toolchain_args: "" | |
| build_args: "-DUSE_CUDA=ON" | |
| name: "Build with CUDA support" | |
| - tag: gnu | |
| external_toolchain_args: "" | |
| build_args: "-DENABLE_LCAO=OFF" | |
| name: "Build without LCAO" | |
| - tag: gnu | |
| external_toolchain_args: "" | |
| build_args: "-DUSE_ELPA=OFF " | |
| name: "Build without ELPA" | |
| - tag: gnu | |
| external_toolchain_args: "" | |
| build_args: "-DENABLE_MPI=OFF" | |
| name: "Build without MPI" | |
| - tag: gnu | |
| external_toolchain_args: "" | |
| build_args: "-DENABLE_MPI=OFF -DENABLE_LCAO=OFF" | |
| name: "Build without LCAO and MPI" | |
| name: ${{ matrix.name }} | |
| container: ghcr.io/deepmodeling/abacus-${{ matrix.tag }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v7.0.1 | |
| with: | |
| submodules: recursive | |
| - name: Install external tools from toolchain | |
| run: | | |
| sudo apt update && sudo apt install -y gfortran ninja-build pkg-config xz-utils | |
| cd toolchain | |
| ./install_abacus_toolchain_new.sh --with-dftd4=install --dry-run ${{matrix.external_toolchain_args}} | |
| ./scripts/stage4/install_stage4.sh | |
| cd .. | |
| - name: Build | |
| run: | | |
| git config --global --add safe.directory `pwd` | |
| source toolchain/install/setup | |
| prepend_path CMAKE_PREFIX_PATH ${PEXSI32_ROOT}:${SUPERLU_DIST32_ROOT}:${PARMETIS32_ROOT}:${METIS32_ROOT}:${GKLIB_ROOT} | |
| rm -rf build | |
| cmake -B build -G Ninja ${{ matrix.build_args }} | |
| cmake --build build -j $(nproc) |