feat: add orbital mapping constants for ABACUS, DeePTB, and OPENMX (#25) #7
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| name: Tests | |
| on: | |
| push: | |
| branches: [ main, develop ] | |
| pull_request: | |
| branches: [ main, develop ] | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 # For setuptools-scm versioning | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.10" | |
| - name: Install UV | |
| run: pip install uv | |
| - name: Install dependencies | |
| run: | | |
| uv sync --group dev | |
| - name: Run tests | |
| run: | | |
| uv run pytest -v -m "not integration" --cov=dftio --cov-report=xml --cov-report=term | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-umbrella | |
| fail_ci_if_error: false |