test_cc.yml

on:
  push:
    branches-ignore:
      - "gh-readonly-queue/**"
  pull_request:
  merge_group:
concurrency:
  group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
  cancel-in-progress: true
name: Test C++
jobs:
  testcc:
    name: Test C++
    runs-on: ubuntu-latest
    strategy:
      matrix:
        check_memleak: [true, false]
    steps:
    - uses: actions/checkout@v4
    - uses: actions/setup-python@v5
      with:
        python-version: '3.11'
        cache: 'pip'
    - name: Setup MPI
      uses: mpi4py/setup-mpi@v1
      with:
        mpi: mpich
    - uses: lukka/get-cmake@latest
    - run: python -m pip install tensorflow
    - name: Download libtorch
      run: |
         wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.1.2%2Bcpu.zip -O libtorch.zip
         unzip libtorch.zip
    - run: |
         export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
         source/install/test_cc_local.sh
      env:
        OMP_NUM_THREADS: 1
        TF_INTRA_OP_PARALLELISM_THREADS: 1
        TF_INTER_OP_PARALLELISM_THREADS: 1
        LMP_CXX11_ABI_0: 1
        CMAKE_GENERATOR: Ninja
        CXXFLAGS: ${{ matrix.check_memleak && '-fsanitize=leak' || '' }}
    # test lammps
    # ASE issue: https://gitlab.com/ase/ase/-/merge_requests/2843
    # TODO: remove ase version when ase has new release
    - run: |
        python -m pip install -U pip
        python -m pip install -e .[cpu,test,lmp] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
      env:
        DP_BUILD_TESTING: 1
      if: ${{ !matrix.check_memleak }}
    - run: pytest --cov=deepmd source/lmp/tests
      env:
        OMP_NUM_THREADS: 1
        TF_INTRA_OP_PARALLELISM_THREADS: 1
        TF_INTER_OP_PARALLELISM_THREADS: 1
        LAMMPS_PLUGIN_PATH: ${{ github.workspace }}/dp_test/lib/deepmd_lmp
        LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib:${{ github.workspace }}/libtorch/lib
      if: ${{ !matrix.check_memleak }}
    # test ipi
    - run: pytest --cov=deepmd source/ipi/tests
      env:
        OMP_NUM_THREADS: 1
        TF_INTRA_OP_PARALLELISM_THREADS: 1
        TF_INTER_OP_PARALLELISM_THREADS: 1
        PATH: ${{ github.workspace }}/dp_test/bin:$PATH
        LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib:${{ github.workspace }}/libtorch/lib
      if: ${{ !matrix.check_memleak }}
    - uses: codecov/codecov-action@v4
      env:
        CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
  pass:
    name: Pass testing C++
    needs: [testcc]
    runs-on: ubuntu-latest
    if: always()
    steps:
    - name: Decide whether the needed jobs succeeded or failed
      uses: re-actors/alls-green@release/v1
      with:
        jobs: ${{ toJSON(needs) }}