CI #232
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: CI | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| schedule: | |
| # Nightly tests run on master by default: | |
| # Scheduled workflows run on the latest commit on the default or base branch. | |
| # (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
| - cron: "0 0 * * *" | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [ubuntu-latest] #, macOS-latest, windows-latest | |
| python-version: [3.7, 3.9.4] # | |
| steps: | |
| - uses: actions/checkout@master | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| #- uses: conda-incubator/setup-miniconda@v2 | |
| # with: | |
| # python-version: ${{ matrix.python-version }} | |
| # channels: conda-forge,defaults,pytorch,pyg | |
| # activate-environment: serenityff-charge-test | |
| # environment-file: dev/conda-env/test_env.yaml | |
| # auto-active-base: false | |
| - uses: mamba-org/provision-with-micromamba@main | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: dev/conda-env/test_env.yaml | |
| channels: conda-forge,defaults | |
| activate-environment: serenityff-charge-test | |
| auto-update-conda: true | |
| auto-activate-base: false | |
| show-channel-urls: true | |
| - name: Install package | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . --no-deps | |
| conda list | |
| - name: Run tests | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| # execute setup.py then run pytest | |
| run: | | |
| python setup.py install | |
| pytest -v --color=yes serenityff/charge/tests/ --cov=serenityff --cov-report=xml | |
| # - uses: codecov/codecov-action@v3 | |
| # with: | |
| # token: ${{ secrets.CODECOV_TOKEN }} | |
| # flags: unittests | |
| # name: codecov-umbrella | |
| # fail_ci_if_error: false | |
| # verbose: true |