unit-test.yaml

name: Unit test

env:
  COMPONENT_NAME: azplugins

  # Most components should not modify the rest of this file. When needed, merge in updates from
  # https://github.com/glotzerlab/hoomd-component-template/

  #############################################################################################
  # HOOMD-blue version to build.
  HOOMD_BLUE_VERSION: v4.8.2
  # prevent deadlocked MPI tests from causing the job to cancel
  MPIEXEC_TIMEOUT: 3000
  # allow mpirun to execute as root in the tests
  OMPI_ALLOW_RUN_AS_ROOT: 1
  OMPI_ALLOW_RUN_AS_ROOT_CONFIRM: 1
  # allow openmpi to oversubscribe cores
  PRTE_MCA_rmaps_default_mapping_policy: ":oversubscribe"
  OMPI_MCA_rmaps_base_oversubscribe: "true"
  # prevent errors from mis-configured openib systems
  OMPI_MCA_btl: "vader,self"

concurrency:
  group: ${{ github.workflow }}-${{ github.ref }}
  cancel-in-progress: true

on:
  pull_request:
  push:
    branches: [main]

  workflow_dispatch:

defaults:
  run:
    shell: bash

jobs:
  build_test:
    name: Build and test [${{ matrix.name }}]
    runs-on: ubuntu-24.04
    container:
      image: nvidia/cuda:12.5.0-devel-ubuntu22.04
    strategy:
      fail-fast: false
      matrix:
        include:
          - name: "CPU"
            enable_gpu: "OFF"
            enable_mpi: "OFF"
          - name: "CPU, MPI"
            enable_gpu: "OFF"
            enable_mpi: "ON"
          - name: "GPU"
            enable_gpu: "ON"
            enable_mpi: "OFF"
          - name: "GPU, MPI"
            enable_gpu: "ON"
            enable_mpi: "ON"

    steps:
      - name: Restore cached HOOMD-blue build
        id: cache
        uses: actions/cache/restore@v4
        with:
          path: install
          key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
      - name: Install git
        run: |
          apt-get update
          apt-get install git --yes
      - name: Checkout HOOMD-blue
        uses: actions/checkout@v4
        with:
          repository: glotzerlab/hoomd-blue
          path: hoomd-blue
          submodules: true
          ref: ${{ env.HOOMD_BLUE_VERSION }}
      - name: Create Python Environment
        uses: mamba-org/setup-micromamba@v1
        with:
          environment-name: test
          environment-file: hoomd-blue/.github/workflows/environments/py312-conda-lock.yml
          micromamba-root-path: ${{ github.workspace }}/micromamba

      - name: Configure conda environment variables
        run: |
          echo "PYTHONPATH=$GITHUB_WORKSPACE/install" >> $GITHUB_ENV
          echo "CONDA_PREFIX=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
          echo "CMAKE_PREFIX_PATH=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
          echo "$MAMBA_ROOT_PREFIX/envs/test/bin" >> $GITHUB_PATH

      - name: Configure HOOMD-blue
        if: steps.cache.outputs.cache-hit != 'true'
        run: |
          cmake -B build-hoomd-blue -S hoomd-blue \
                -GNinja \
                -DCMAKE_BUILD_TYPE=Release \
                -DENABLE_GPU=${ENABLE_GPU} \
                -DENABLE_MPI=${ENABLE_MPI} \
                -DCUDA_ARCH_LIST="70" \
                -DBUILD_TESTING=OFF \
                -DPLUGINS="" \
                -DCMAKE_INSTALL_PREFIX=${GITHUB_WORKSPACE}/install
        env:
          ENABLE_GPU: ${{ matrix.enable_gpu }}
          ENABLE_MPI: ${{ matrix.enable_mpi }}
      - name: Build HOOMD-blue
        if: steps.cache.outputs.cache-hit != 'true'
        run: ninja install -j $(($(getconf _NPROCESSORS_ONLN) + 2))
        working-directory: build-hoomd-blue
      - name: Cache HOOMD-blue build
        if: steps.cache.outputs.cache-hit != 'true'
        uses: actions/cache/save@v4
        with:
          path: install
          key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}

      - name: Checkout component
        uses: actions/checkout@v4
        with:
          path: component
      - name: Configure component
        run: CMAKE_PREFIX_PATH=${GITHUB_WORKSPACE}/install cmake -S component -B build-component -GNinja -DCMAKE_BUILD_TYPE=Release
      - name: Build component
        run: ninja install -j $(($(getconf _NPROCESSORS_ONLN) + 2))
        working-directory: build-component

      - name: Run pytest (serial)
        run: python3 -m pytest --pyargs hoomd.${COMPONENT_NAME} -x -v -ra --durations=0 --durations-min=0.1
      - name: Run pytest (MPI)
        if: ${{ matrix.enable_mpi == 'ON' }}
        run: mpirun -n 2 ${GITHUB_WORKSPACE}/install/hoomd/pytest/pytest-openmpi.sh --pyargs hoomd.${COMPONENT_NAME} -x -v -ra --durations=0 --durations-min=0.1 || (( cat pytest.out.1 && exit 1 ))