build_test_cmake.yml

name: Build Test
on:
  push:
  pull_request:

jobs:
  test:
    runs-on: ubuntu-latest
    strategy:
      matrix:
        include:
          - tag: gnu
            build_args: ""
            name: "Build with GNU toolchain"
          - tag: intel
            build_args: ""
            name: "Build with Intel toolchain"

          - tag: gnu
            build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1 -DENABLE_PAW=1"
            name: "Build extra components with GNU toolchain"
          - tag: intel
            build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1"
            name: "Build extra components with Intel toolchain"

          - tag: cuda
            build_args: "-DUSE_CUDA=1"
            name: "Build with CUDA support"
          - tag: gnu
            build_args: "-DENABLE_LCAO=OFF"
            name: "Build without LCAO"
          - tag: gnu
            build_args: "-DUSE_ELPA=0 "
            name: "Build without ELPA"
          - tag: gnu
            build_args: "-DENABLE_MPI=0"
            name: "Build without MPI"
          - tag: gnu
            build_args: "-DENABLE_MPI=0 -DENABLE_LCAO=0"
            name: "Build without LCAO and MPI"

    name: ${{ matrix.name }}
    container: ghcr.io/deepmodeling/abacus-${{ matrix.tag }}
    steps:
      - name: Checkout
        uses: actions/checkout@v4
        with:
          submodules: recursive

      - name: Build
        run: |
          git config --global --add safe.directory `pwd`
          cmake -B build ${{ matrix.build_args }}
          cmake --build build -j2