PES-Learn 1.0.0 #6
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| name: Continuous Integration | |
| on: | |
| push: | |
| branches: | |
| - master | |
| pull_request: | |
| branches: | |
| - master | |
| jobs: | |
| build-linux: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.8 | |
| - name: Add conda to system path | |
| run: | | |
| # $CONDA is an environment variable pointing to the root of the miniconda directory | |
| echo $CONDA/bin >> $GITHUB_PATH | |
| - name: Install dependencies | |
| shell: bash -l {0} | |
| run: | | |
| conda install python=3.8 | |
| conda install numpy | |
| conda install -c conda-forge gpy | |
| conda install pytorch | |
| conda install pandas | |
| conda install -c conda-forge cclib | |
| conda install -c conda-forge hyperopt | |
| conda install -c conda-forge scikit-learn | |
| pip install -e . | |
| - name: Test with pytest | |
| run: | | |
| conda install pytest | |
| pytest | |
| release_sphinx: | |
| #needs: [build] | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| cfg: | |
| - conda-env: docs-cf | |
| python-version: 3.8 | |
| label: Sphinx | |
| runs-on: ubuntu-latest | |
| name: "🐍 ${{ matrix.cfg.python-version }} • ${{ matrix.cfg.label }}" | |
| runs-on: ${{ matrix.cfg.runs-on }} | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Create Environment | |
| uses: conda-incubator/setup-miniconda@v2 | |
| with: | |
| activate-environment: test | |
| environment-file: docs/requirements.yml | |
| python-version: ${{ matrix.cfg.python-version }} | |
| auto-activate-base: false | |
| miniforge-variant: Mambaforge | |
| use-mamba: true | |
| add-pip-as-python-dependency: true | |
| channels: conda-forge | |
| - name: Environment Information | |
| run: | | |
| mamba info | |
| mamba list --show-channel-urls | |
| - name: Build Documentation | |
| run: | | |
| python -m pip install . --no-deps | |
| cd docs | |
| make html | |
| - name: GitHub Pages Deploy | |
| uses: JamesIves/github-pages-deploy-action@4.1.1 | |
| if: github.event_name == 'push' && github.repository == 'CCQC/PES-Learn' && ( startsWith( github.ref, 'refs/tags/' ) || github.ref == 'refs/heads/master' ) | |
| with: | |
| branch: gh-pages | |
| folder: docs/build/html |