Fixed Turbomole input set generator. #2
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| name: testing | |
| on: | |
| push: | |
| pull_request: | |
| branches: [main] | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.10' | |
| cache: pip | |
| cache-dependency-path: pyproject.toml | |
| - name: Install dependencies & package | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install .[tests,dev] | |
| pip install . | |
| - name: Lint | |
| run: | | |
| pre-commit run --all-files --show-diff-on-failure | |
| - name: Test | |
| run: | | |
| pytest tests |