test.yaml

name: Test

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

on:
  pull_request:

  push:
    branches:
      - "trunk-minor"
      - "trunk-major"

  workflow_dispatch:

  schedule:
  - cron:  '0 18 * * 1'

jobs:
  execute_notebooks:
    name: Execute notebooks
    runs-on: ubuntu-24.04
    steps:

    - name: Checkout hoomd
      uses: actions/checkout@a5ac7e51b41094c92402da3b24376905380afc29 # v4.1.6
      with:
        path: code
        ref: ${{ github.event_name == 'pull_request' && github.base_ref || github.ref_name }}
        repository: glotzerlab/hoomd-blue
        submodules: true

    - name: Determine hoomd hash
      id: hoomd
      run: echo "sha=$(git rev-parse HEAD)" >> $GITHUB_OUTPUT
      working-directory: code

    - name: Restore cached HOOMD-blue build
      id: cache
      uses: actions/cache/restore@0c45773b623bea8c8e75f6c82b208c3cf94ea4f9 # v4.0.2
      with:
        path: install
        key: hoomd-blue-${{ steps.hoomd.outputs.sha }}

    - name: Checkout notebooks
      uses: actions/checkout@a5ac7e51b41094c92402da3b24376905380afc29 # v4.1.6
      with:
        path: notebooks

    - name: Create Python Environment
      uses: mamba-org/setup-micromamba@f8b8a1e23a26f60a44c853292711bacfd3eac822 # v1.9.0
      with:
        environment-name: test
        environment-file: notebooks/.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
      if: steps.cache.outputs.cache-hit != 'true'
      run: >-
        cmake -B hoomd/build -S code -GNinja
        -DCMAKE_BUILD_TYPE=Release
        -DENABLE_GPU=off
        -DENABLE_MPI=on
        -DENABLE_TBB=off
        -DBUILD_TESTING=off
        -DENABLE_LLVM=off
        -DCMAKE_INSTALL_PREFIX=${GITHUB_WORKSPACE}/install

    - name: Compile
      if: steps.cache.outputs.cache-hit != 'true'
      run: ninja install -j $(($(getconf _NPROCESSORS_ONLN) + 2))
      working-directory: hoomd/build

    - name: Cache HOOMD-blue build
      if: steps.cache.outputs.cache-hit != 'true'
      uses: actions/cache/save@0c45773b623bea8c8e75f6c82b208c3cf94ea4f9 # v4.0.2
      with:
        path: install
        key: hoomd-blue-${{ steps.hoomd.outputs.sha }}

    - name: Display hoomd version
      run: python3 -c "import hoomd; print(hoomd.version.version, hoomd.version.git_sha1)"

    - name: List notebooks
      run: ls **/*.ipynb
      working-directory: notebooks

    - name: Execute notebooks
      run: 'for i in */; do echo "Running notebooks in: $i" && jupyter nbconvert --execute --inplace $i/*.ipynb || exit 1; done'
      working-directory: notebooks

    # This check is very basic, but we don't want to use `python -W error` as it will also catch any
    # warnings generated inside nbconvert and its dependencies.
    - name: Check for warnings
      run: |
        has_warnings=0
        for file in **/*.ipynb
        do
          grep Warning $file && echo "::error file=${file}::Has deprecation warnings" && has_warnings=1
        done
        exit ${has_warnings}
      working-directory: notebooks