CI #1087
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: | |
| pull_request: | |
| branches: | |
| - "master" | |
| schedule: | |
| # nightly tests | |
| - cron: "0 0 * * *" | |
| push: | |
| branches: | |
| - master | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.cfg.os }}, Python ${{ matrix.cfg.python-version }}, OpenMM ${{ matrix.cfg.openmm }} | |
| runs-on: ${{ matrix.cfg.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| cfg: | |
| - { os: ubuntu-latest, python-version: 3.7, docs: true, openmm: latest } | |
| - { os: macos-latest, python-version: 3.7, docs: true, openmm: latest } | |
| - { os: ubuntu-latest, python-version: 3.8, docs: false, openmm: latest } | |
| - { os: ubuntu-latest, python-version: 3.7, docs: false, openmm: nightly } | |
| - { os: ubuntu-latest, python-version: 3.8, docs: false, openmm: nightly } | |
| - { os: ubuntu-latest, python-version: 3.7, docs: false, openmm: conda-forge } | |
| - { os: ubuntu-latest, python-version: 3.8, docs: false, openmm: conda-forge } | |
| env: | |
| OPENMM: ${{ matrix.cfg.openmm }} | |
| OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
| PACKAGENAME: yank | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Additional info about the build | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| # More info on options: https://github.com/conda-incubator/setup-miniconda | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.cfg.python-version }} | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| activate-environment: test | |
| auto-update-conda: true | |
| auto-activate-base: false | |
| show-channel-urls: true | |
| - name: Refine test environment | |
| shell: bash -l {0} | |
| run: | | |
| case ${{ matrix.cfg.openmm }} in | |
| latest) | |
| echo "Using latest release OpenMM." | |
| conda install --quiet -c omnia openmm;; | |
| rc) | |
| echo "Using OpenMM rc" | |
| conda install --quiet -c omnia/label/rc openmm;; | |
| beta) | |
| echo "Using OpenMM beta" | |
| conda install --quiet -c omnia/label/beta openmm;; | |
| nightly) | |
| echo "Using OpenMM nightly dev build." | |
| conda install --quiet -c omnia-dev openmm;; | |
| conda-forge) | |
| echo "Using OpenMM conda-forge testing build." | |
| conda install --quiet -c conda-forge/label/test openmm;; | |
| esac | |
| - name: Install package | |
| shell: bash -l {0} | |
| run: | | |
| python -m pip install --no-deps -v . | |
| - name: Environment Information | |
| shell: bash -l {0} | |
| run: | | |
| conda info -a | |
| conda list | |
| - name: Decrypt licenses | |
| # TODO: MODELLER | |
| shell: bash -l {0} | |
| env: | |
| OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }} | |
| run: | | |
| echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE} | |
| python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'OpenEye license checks failed!'" | |
| - name: Test the package | |
| shell: bash -l {0} | |
| run: | | |
| export OE_LICENSE="$HOME/oe_license.txt" | |
| export TRAVIS=true | |
| pushd . | |
| nosetests ${PACKAGENAME} --nocapture --with-coverage --verbosity=3 --with-timer -a '!slow' --cover-xml --cover-xml-file=./coverage.xml | |
| popd | |
| - name: Codecov | |
| uses: codecov/codecov-action@v1 | |
| with: | |
| file: ./coverage.xml | |
| fail_ci_if_error: false | |
| - name: Build docs | |
| shell: bash -l {0} | |
| if: matrix.cfg.docs | |
| run: | | |
| cd docs && make html; cd .. | |
| # Move the docs into a versioned subdirectory | |
| python devtools/travis-ci/set_doc_version.py | |
| # Prepare versions.json | |
| python devtools/travis-ci/update_versions_json.py |