Variational embedding #873
Workflow file for this run
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| name: CI | |
| on: | |
| push: | |
| branches: [master, dev] | |
| pull_request: | |
| schedule: | |
| - cron: '0 2 * * *' | |
| jobs: | |
| full: | |
| name: python ${{ matrix.python-version }} on ${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - {python-version: "3.8", os: ubuntu-latest, documentation: True} | |
| - {python-version: "3.9", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.10", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.11", os: ubuntu-latest, documentation: False} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Upgrade pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - name: Install Vayesta along with dependencies | |
| run: | | |
| python -m pip install wheel --user | |
| python -m pip install setuptools --upgrade --user | |
| python -m pip install https://github.com/BoothGroup/dyson/archive/master.zip | |
| python -m pip install pybind11[global] | |
| export pybind11_DIR=$(python -m pybind11 --cmakedir) | |
| python -m pip install .[dmet,ebcc,pygnme] --user | |
| - name: Run unit tests | |
| run: | | |
| echo DEBUG PRINT Printing LD_LIBRARY_PATH | |
| echo $LD_LIBRARY_PATH | |
| export LD_LIBRARY_PATH=$(dirname $(python -c 'import pygnme;print(pygnme.__path__[0])') ):$LD_LIBRARY_PATH | |
| export LD_LIBRARY_PATH=$(dirname $(python -c 'import numpy;print(numpy.__path__[0])') ):$LD_LIBRARY_PATH | |
| echo Updated LD_LIBRARY_PATH = $LD_LIBRARY_PATH | |
| echo site_packages directory is at | |
| dirname $(python -c 'import numpy;print(numpy.__path__[0])') | |
| python -m pip install pytest pytest-cov --user | |
| python .github/workflows/run_tests.py | |
| - name: Upload to codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| verbose: true | |
| - name: Build docs | |
| run: | | |
| python -m pip install sphinx!=5.1.0 sphinx_rtd_theme | |
| cd docs | |
| bash make_apidoc.sh | |
| make html | |
| cd .. | |
| if: ${{ matrix.documentation }} | |
| - name: Deploy docs | |
| uses: peaceiris/actions-gh-pages@v3 | |
| with: | |
| publish_branch: gh-pages | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: docs/build/html | |
| force_orphan: true | |
| if: ${{ matrix.documentation && github.ref == 'refs/heads/master' && github.event_name != 'schedule' }} | |
| bare: | |
| name: python 3.8 on ubuntu-latest with no optional dependencies | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: 3.8 | |
| - name: Upgrade pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - name: Install Vayesta | |
| run: | | |
| python -m pip install wheel --user | |
| python -m pip install setuptools --upgrade --user | |
| python -m pip install . --user | |
| - name: Run unit tests | |
| run: | | |
| python -m pip install pytest pytest-cov --user | |
| python .github/workflows/run_tests.py | |