Version 1.6.1 #220
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
| name: Test Python package | |
| on: | |
| push: | |
| branches: | |
| - '**' | |
| pull_request: | |
| branches: [ master ] | |
| jobs: | |
| test: | |
| name: Testing | |
| runs-on: "ubuntu-latest" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| strategy: | |
| matrix: | |
| python-version: ['3.9', '3.10', '3.11', '3.12', '3.13'] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| activate-environment: rmsd-dev | |
| environment-file: environment.yml | |
| python-version: ${{ matrix.python-version }} | |
| - run: pip install . | |
| - run: which calculate_rmsd | |
| - run: make test python=python | |
| - run: make format python=python | |
| - run: make build python=python | |
| - run: make test-dist python=python | |
| - run: for x in dist/*; do pip uninstall -y rmsd && pip install $x; done | |
| - run: pip uninstall -y rmsd && pip install $(find dist -name "*.whl" | tail -n 1)[qml] | |
| - run: which calculate_rmsd |