[python-package (both)] try to install openmm via conda for py37 #759
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # This workflow will install Python dependencies, run tests and lint with a variety of Python versions | |
| # For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions | |
| name: Python [3.7,3.8,3.9,3.10,3.11,3.12] Linux | |
| on: | |
| push: | |
| branches: [ master ] | |
| pull_request: | |
| branches: [ master ] | |
| workflow_dispatch: | |
| env: | |
| BEZIER_NO_EXTENSION: true | |
| jobs: | |
| build: | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: [3.7, 3.8, 3.9, '3.10', '3.11','3.12'] | |
| exclude: | |
| - python-version: "3.7" | |
| os: ubuntu-latest | |
| include: | |
| - python-version: "3.7" | |
| os: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Conditionally set up Conda for Python 3.7 | |
| if: ${{ matrix.python-version == '3.7' }} | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| auto-update-conda: true | |
| - name: Install openmm via conda for only for python 3.7 | |
| if: ${{ matrix.python-version == '3.7' }} | |
| run: conda install openmm -c conda-forge -y | |
| shell: bash | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pytest pytest-cov pytest-xdist | |
| - name: Install package | |
| run: | | |
| pip install --upgrade pip | |
| pip install --upgrade setuptools | |
| pip install -e . | |
| pip freeze | |
| - name: Test with pytest and coverage Linux 8 threads | |
| run: | | |
| echo -e '[run]\nomit = *dihedrals.py,*contact_matrix.py' > .coveragerc | |
| pytest -n 8 -vs --cov=./ --cov-report=xml --disable-warnings --cov-config=.coveragerc | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| #directory: ./coverage/reports/ | |
| flags: unittests | |
| env_vars: OS,PYTHON | |
| name: codecov-umbrella | |
| fail_ci_if_error: true | |
| #path_to_write_report: ./coverage/codecov_report.gz | |