CI #1703
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| 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 * * *" | |
| workflow_dispatch: | |
| inputs: | |
| CACHE_NUMBER: | |
| type: number | |
| default: 0 | |
| RUN_TESTS: | |
| type: boolean | |
| default: true | |
| #env: | |
| # CACHE_NUMBER: 0 | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| # os: [macOS-latest, ubuntu-latest] | |
| os: [ubuntu-latest] | |
| python-version: [3.9] | |
| include: | |
| - os: ubuntu-latest | |
| label: linux-64 | |
| # prefix: /usr/share/miniconda3/envs/openmm7.6 | |
| environment-file: devtools/conda-envs/openmm7.6.yaml | |
| miniforge-variant: Mambaforge | |
| miniforge-version: 4.9.2-4 | |
| #- os: macos-latest | |
| # label: osx-64 | |
| # # prefix: /Users/runner/miniconda3/envs/openmm7.6 | |
| # environment-file: devtools/conda-envs/openmm7.6.yaml | |
| # miniforge-variant: Mambaforge-pypy3 | |
| steps: | |
| - name: test | |
| if: ${{ github.event_name == 'workflow_dispatch' }} | |
| run: echo "hi" | |
| - name: test2 | |
| if: ${{ github.event_name == 'push' }} | |
| run: echo "hi2" | |
| - uses: actions/checkout@v3 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - name: Set cache date | |
| run: echo "DATE=$(date +'%Y%m%d')" >> $GITHUB_ENV | |
| - name: Make Cache (no worflow_dispatch) | |
| if: ${{ github.event_name != 'workflow_dispatch' }} | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/conda_pkgs_dir # ${{ matrix.prefix }} | |
| # Increase the last number (0) to reset cache manually | |
| key: ${{ matrix.label }}-conda-${{ hashFiles('devtools/conda-envs/openmm7.6.yaml') }}-${{ env.DATE }}-0 | |
| id: cache1 | |
| - name: Make Cache (worflow_dispatch) | |
| if: ${{ github.event_name == 'workflow_dispatch' }} | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/conda_pkgs_dir # ${{ matrix.prefix }} | |
| key: ${{ matrix.label }}-conda-${{ hashFiles('devtools/conda-envs/openmm7.6.yaml') }}-${{ env.DATE }}-${{ inputs.CACHE_NUMBER }} | |
| id: cache2 | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| condarc-file: ${{ matrix.condarc-file }} | |
| environment-file: ${{ matrix.environment-file }} | |
| miniforge-variant: ${{ matrix.miniforge-variant }} | |
| miniforge-version: ${{ matrix.miniforge-version }} | |
| use-mamba: true | |
| # mamba-version: "*" | |
| # environment-file: devtools/conda-envs/openmm7.6.yaml | |
| channels: conda-forge,defaults | |
| # channel-priority: true | |
| activate-environment: openmm7.6 | |
| #auto-update-conda: false | |
| auto-activate-base: false | |
| #show-channel-urls: true | |
| use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
| #- name: Update environment | |
| # run: conda env update -n openmm7.6 -f devtools/conda-envs/openmm7.6.yaml | |
| # run: mamba env update -n openmm7.6 -f devtools/conda-envs/openmm7.6.yaml | |
| # if: steps.cache.outputs.cache-hit != 'true' | |
| - name: Install package | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install . --no-deps | |
| conda info | |
| conda list | |
| conda config --show-sources | |
| conda config --show | |
| printenv | sort | |
| - name: Run tests (workflow_dispatch) | |
| if: ${{ github.event_name == 'workflow_dispatch' && inputs.RUN_TESTS }} | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| conda activate openmm7.6 | |
| pytest -v --cov=protex --cov-report=xml --color=yes protex/tests/ | |
| - name: Run tests (no workflow_dispatch) | |
| if: ${{ github.event_name != 'workflow_dispatch' }} | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| run: | | |
| conda activate openmm7.6 | |
| pytest -v --cov=protex --cov-report=xml --color=yes protex/tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} |