Release #17
Workflow file for this run
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| name: Release | |
| on: | |
| release: | |
| types: [created] | |
| workflow_dispatch: | |
| jobs: | |
| build: | |
| strategy: | |
| max-parallel: 1 | |
| matrix: | |
| os: [ubuntu-latest] | |
| python-version: ["3.11"] | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install OpenBabel | |
| shell: bash -l {0} | |
| run: conda install -c conda-forge openbabel | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| pip install pytest pymatgen | |
| pip install -e . | |
| - name: pytest | |
| shell: bash -l {0} | |
| env: | |
| PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }} | |
| MPLBACKEND: "Agg" | |
| run: | | |
| pytest custodian --color=yes | |
| - name: release | |
| shell: bash -l {0} | |
| env: | |
| TWINE_USERNAME: ${{ secrets.TWINE_USERNAME }} | |
| TWINE_PASSWORD: ${{ secrets.TWINE_PASSWORD }} | |
| run: | | |
| pip install setuptools wheel twine | |
| python setup.py sdist bdist_wheel | |
| twine upload --skip-existing dist/*.tar.gz |