Bump pymatgen from 2023.10.4 to 2024.1.27 #134
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| name: test | |
| env: | |
| scip-version: 8.0.0 | |
| on: | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| workflow_call: | |
| workflow_dispatch: | |
| jobs: | |
| test: | |
| # Only 20.04 is known to work with scip 8.0.0 | |
| runs-on: ubuntu-20.04 | |
| strategy: | |
| max-parallel: 10 | |
| matrix: | |
| # '3.11' fails because h5py has to be built from source since prebuilt wheels are not provided yet | |
| python_version: ['3.9', '3.10', '3.11'] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python_version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python_version }} | |
| - name: Install SCIP dependency | |
| run: | | |
| wget --quiet --no-check-certificate https://scipopt.org/download/release/SCIPOptSuite-${{ env.scip-version }}-Linux-ubuntu.deb | |
| sudo apt-get update && sudo apt install -y ./SCIPOptSuite-${{ env.scip-version }}-Linux-ubuntu.deb | |
| - name: Cache pip | |
| uses: actions/cache@v3 | |
| with: | |
| path: ~/.cache/pip | |
| key: ${{ runner.os }}-pip-${{ hashFiles('requirements.txt') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pip- | |
| ${{ runner.os }}- | |
| - name: Install dependencies and package | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install -r requirements.txt | |
| pip install -r requirements-optional.txt | |
| pip install -e .[tests] | |
| - name: Test with pytest | |
| run: | | |
| pytest tests --cov=WFacer --cov-report=xml | |
| # If using python 3.11, need to restrict PR codacy report to PR within the same repo, | |
| # so that PR across forks will not be reported. Otherwise, will fail to run the report action. | |
| # Here we revert to python = 3.11. | |
| - if: ${{ matrix.python_version == 3.11 && github.event_name == 'push'}} | |
| name: codacy-coverage-reporter | |
| uses: codacy/codacy-coverage-reporter-action@v1 | |
| with: | |
| project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} | |
| coverage-reports: coverage.xml |