Added encoders and parsers for CREST to support energy, gradient, hes… #130
Workflow file for this run
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| name: Tests | |
| on: [push] | |
| jobs: | |
| tests: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| name: Set up Python | |
| with: | |
| python-version: "3.8" | |
| - name: Install poetry | |
| run: pip install poetry | |
| - name: Install repo | |
| run: poetry install --no-interaction --no-ansi | |
| - name: Run tests | |
| run: bash scripts/tests.sh | |
| - name: Upload coverage HTML | |
| uses: actions/upload-artifact@v3 | |
| with: | |
| name: htmlcov | |
| path: htmlcov |