Add KremerGrestBeadSpring class to library.forcefields, remove r_cut from various Simulation classes.
#343
Workflow file for this run
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| name: pytest | |
| on: | |
| push: | |
| # Action will run when any changes to these paths are pushed or pr'ed to master | |
| branches: [ main ] | |
| paths: | |
| - flowermd/** | |
| - environment-dev.yml | |
| - .github/workflows/pytest.yml | |
| pull_request: | |
| branches: [ main ] | |
| paths: | |
| - flowermd/** | |
| - environment-dev.yml | |
| - .github/workflows/pytest.yml | |
| # Allows workflow to be manually triggered | |
| workflow_dispatch: | |
| jobs: | |
| pytest: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v2 | |
| - name: Build environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| environment-file: environment-dev.yml | |
| miniforge-variant: Mambaforge | |
| miniforge-version: 4.9.2-4 | |
| use-mamba: true | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: pip install . | |
| - name: Run pytest with coverage report | |
| shell: bash -l {0} | |
| run: python -m pytest -rs -v --cov=./ --cov-report=xml | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml |