Parallel IFP #181
Workflow file for this run
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: | |
| # GitHub has started calling new repo's first branch "main" https://github.com/github/renaming | |
| # Existing codes likely still have "master" as the primary branch | |
| # Both are tracked here to keep legacy and new codes working | |
| push: | |
| branches: | |
| - "master" | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "master" | |
| - "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.config.os }}, Python ${{ matrix.config.python-version }} | |
| runs-on: ${{ matrix.config.os }} | |
| strategy: | |
| matrix: | |
| config: | |
| - { | |
| os: ubuntu-latest, | |
| # os: [macOS-latest, ubuntu-latest, windows-latest] | |
| python-version: 3.8, | |
| cc: "gcc", cxx: "g++", | |
| # python-version: [3.7, 3.8, 3.9] | |
| } | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Install OpenMM | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| activate-environment: opencombind-dev | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| - name: Testing Dependencies | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install -U pytest pytest-cov codecov | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . | |
| - name: Run tests | |
| shell: bash -l {0} | |
| run: | | |
| pytest -v --cov=open_combind --cov-report=xml --color=yes open_combind/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v2 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| verbose: true | |
| name: codecov-${{ matrix.config.os }}-py${{ matrix.config.python-version }} | |
| - name: Upload CodeCov | |
| run: curl -Os https://uploader.codecov.io/latest/linux/codecov && chmod +x codecov && ./codecov |