doped/.github/workflows/test.yml at 1667a064f9cf40de142867dde96dbb8e9bb5a5a6 · SMTG-Bham/doped · GitHub

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name: Tests

on:
  workflow_dispatch:

  push:
    branches:
      - '*'  # all branches

jobs:
  test:
    strategy:
      fail-fast: false

      matrix:
        os: [ ubuntu-latest, macos-14 ]  # Windows in theory possible, but needs circumventing ``vise`` issues
        python-version: [ '3.11', '3.14' ]  # lowest and highest supported Python versions; 3.10 should still be possible, but latest ``pymatgen`` (2026) only supports 3.11-3.14

        # if durations files present, pytest-split will use them to intelligently distribute tests
        split: [ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10 ]

    env:
      MPLBACKEND: Agg  # non-interactive backend for matplotlib

    runs-on: ${{ matrix.os }}

    steps:
      - uses: actions/checkout@v4

      - uses: actions/setup-python@v5
        with:
          python-version: ${{ matrix.python-version }}

      - name: Install dependencies
        run: |
          python -m pip install --upgrade pip
          # TODO: temporary until doped v4 released:
          pip install --no-deps git+https://github.com/SMTG-Bham/ShakeNBreak@develop
          pip install -e .[tests]

      - name: Test
        shell: bash
        run: |  # update durations file with ``export DOPED_SKIP_HEAVY_TESTS=False; pytest -vv -m "not mpl_image_compare" tests --store-durations --durations-path tests/.pytest_split_durations_non_plotting``
          pytest -vv -m "not mpl_image_compare" \
            --splits 10 --group ${{ matrix.split }} \
            --durations-path tests/.pytest_split_durations_non_plotting \
            --splitting-algorithm least_duration tests  # use this algo to avoid zero-splits

      - name: Plotting Tests
        shell: bash
        if: always()  # run even if non-plotting tests fail
        id: plotting_tests  # Add an ID to this step for reference
        env:
          MPLBACKEND: Agg  # non-interactive backend for matplotlib
        run: |  # update durations file with ``export DOPED_SKIP_HEAVY_TESTS=False; pytest -vv -m "mpl_image_compare" tests --store-durations --durations-path tests/.pytest_split_durations_plotting``
          pytest -vv --mpl -m "mpl_image_compare" \
            --splits 10 --group ${{ matrix.split }} \
            --durations-path tests/.pytest_split_durations_plotting \
            --splitting-algorithm least_duration tests  # use this algo to avoid zero-splits

      - name: Generate GH Actions test plots
        shell: bash
        if: failure() && steps.plotting_tests.outcome == 'failure'  # Run only if plotting tests fail
        env:
          MPLBACKEND: Agg  # non-interactive backend for matplotlib
        run: |  # Generate the test plots in case there were any failures:
          pytest -vv --mpl-generate-path=tests/remote_baseline -m "mpl_image_compare" \
            --splits 10 --group ${{ matrix.split }} \
            --durations-path tests/.pytest_split_durations_plotting \
            --splitting-algorithm least_duration tests  # use this algo to avoid zero-splits

      # Upload test plots
      - name: Archive test plots
        if: always()
        uses: actions/upload-artifact@v4
        with:
          name: doped_GH_test_plots_${{ matrix.os }}_${{ matrix.split }}
          path: tests/remote_baseline