CHGNetCalculator.calculate add kwarg task: PredTask = "efsm"
#685
Workflow file for this run
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| name: Tests | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| workflow_dispatch: | |
| workflow_call: | |
| jobs: | |
| tests: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14, windows-latest] | |
| version: | |
| - { python: "3.10", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install chgnet through uv | |
| run: | | |
| pip install uv | |
| uv pip install -e .[test,logging] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Run Tests | |
| run: pytest --capture=no --cov --cov-report=xml | |
| env: | |
| CHGNET_DEVICE: cpu | |
| - name: Codacy coverage reporter | |
| if: ${{ matrix.os == 'ubuntu-latest' && github.event_name == 'push' }} | |
| uses: codacy/codacy-coverage-reporter-action@v1 | |
| with: | |
| project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} | |
| coverage-reports: coverage.xml |