Hetero-nuclear diatomics example with MACE (#259) #1631
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| name: Tests | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| branches: [main] | |
| release: | |
| types: [published] | |
| workflow_dispatch: | |
| workflow_call: | |
| env: | |
| MPLBACKEND: Agg # non-interactive backend for matplotlib | |
| jobs: | |
| tests: | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest] | |
| split: [1, 2, 3, 4] | |
| uses: janosh/workflows/.github/workflows/pytest.yml@main | |
| with: | |
| os: ${{ matrix.os }} | |
| python-version: "3.10" | |
| install-cmd: uv pip install -e '.[test,brillouin]' --system | |
| test-cmd: pytest --durations 20 --cov . --splits 4 --group ${{ matrix.split }} --splitting-algorithm least_duration | |
| find-scripts: | |
| runs-on: ubuntu-latest | |
| outputs: | |
| script_list: ${{ steps.set-matrix.outputs.script_list }} | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v4 | |
| - name: Find Python scripts | |
| id: set-matrix | |
| run: | | |
| SCRIPTS=$(find assets/scripts -name "*.py" | jq -R -s -c 'split("\n")[:-1]') | |
| echo "script_list=$SCRIPTS" >> $GITHUB_OUTPUT | |
| test-scripts: | |
| needs: find-scripts | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| script: ${{fromJson(needs.find-scripts.outputs.script_list)}} | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| - name: Install package and dependencies | |
| run: pip install -e .[make-assets] | |
| - name: Run script | |
| run: python ${{ matrix.script }} |