CI #399
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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: | |
| # 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) | |
| # Workflow will run at 8:00 on the first day of the month | |
| - cron: "0 8 1 * *" | |
| jobs: | |
| testCI: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| # os: [macOS-latest, ubuntu-latest, windows-latest] | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: [3.7, 3.9] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Install conda environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| activate-environment: test | |
| - name: Check conda environment | |
| shell: bash -l {0} | |
| run: conda list | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install -e . | |
| - name: Run training example | |
| shell: bash -l {0} | |
| run: | | |
| python maxsmi/full_workflow.py --aug-strategy-train=augmentation_without_duplication --aug-nb-train=2 --aug-nb-test=2 --nb-epochs=2 | |
| - name: Run training example with early stopping | |
| shell: bash -l {0} | |
| run: | | |
| python maxsmi/full_workflow_earlystopping.py --aug-nb-train=3 --aug-nb-test=2 --nb-epochs=2 | |
| - name: Run user prediction example | |
| shell: bash -l {0} | |
| run: | | |
| python maxsmi/prediction_unlabeled_data.py --task=lipophilicity --smiles_prediction="CC1CC1" | |
| - name: Generate code coverage report | |
| shell: bash -l {0} | |
| run: pytest --cov=./ --cov-report=xml --color=yes | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-umbrella-${{ matrix.os }}-py${{ matrix.python-version }} |