unit-test.yaml

name: Unit test

env:
  # TODO: Set COMPONENT_NAME to the name of your Python package.
  COMPONENT_NAME: template

  # 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: trunk-minor
  # 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"
  # skip running the CPU tests in GPU builds
  _HOOMD_SKIP_CPU_TESTS_WHEN_GPUS_PRESENT_: 1
  # Require GPU tests in GPU builds.
  _HOOMD_REQUIRE_GPU_TESTS_IN_GPU_BUILDS_: 1
  # import HOOMD out of the build directory
  PYTHONPATH: ${{ github.workspace }}/install
  CONDA_PREFIX: ${{ github.workspace }}/micromamba/envs/test
  CMAKE_PREFIX_PATH: ${{ github.workspace }}/micromamba/envs/test


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

on:
  pull_request:
  push:
    branches: [trunk]

  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-${{ env.HOOMD_BLUE_VERSION }}-${{ job.container.image }}-${{ matrix.enable_mpi }}-gpu-${{ 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: v${{ 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 "$CONDA_PREFIX/bin" >> $GITHUB_PATH    - name: Configure HOOMD-blue

    - 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-${{ env.HOOMD_BLUE_VERSION }}-${{ job.container.image }}-${{ matrix.enable_mpi }}-gpu-${{ 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 ))