Run Tests #360
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| name: Run Tests | |
| on: | |
| schedule: | |
| - cron: '0 8 * * 1-5' | |
| push: | |
| branches: [ master ] | |
| pull_request: | |
| branches: [ master ] | |
| workflow_dispatch: | |
| jobs: | |
| code-format: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Setup python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.9' | |
| architecture: x64 | |
| - name: Install Dependencies | |
| run: | | |
| python -m pip install rdkit-pypi | |
| python -m pip install networkx==2.1 | |
| python -m pip install pycodestyle autopep8 | |
| python -m pip install -r requirements.txt | |
| python -m pip install -e . | |
| python -m pip install sphinx sphinx-rtd-theme m2r mistune==0.8.4 | |
| - name: Check Errors | |
| run: | | |
| pycodestyle --statistics --count --max-line-length=150 --show-source --exclude=interfaces/UI/libraries . | |
| build: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ['3.8', '3.9', '3.10', '3.11', '3.12'] | |
| os: [ubuntu-latest, windows-latest, macos-latest] | |
| exclude: | |
| - os: macos-13 | |
| python-version: '3.8' | |
| runs-on: ${{ matrix.os }} | |
| defaults: | |
| run: | |
| shell: bash -el {0} | |
| name: ${{ matrix.os }} Python ${{ matrix.python-version }} Subtest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| auto-update-conda: true | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install Dependencies | |
| run: | | |
| python -m pip install openpyxl | |
| python -m pip install -r requirements.txt | |
| python -m pip install -e . | |
| python -m pip install coverage | |
| - name: Run Tests | |
| run: | | |
| coverage run --source=. --omit=interfaces/*,aimsim/__main__.py,aimsim/tasks/__init__.py,aimsim/ops/__init__.py,aimsim/chemical_datastructures/__init__.py,aimsim/utils/__init__.py,setup.py,tests/*,aimsim/__init__.py,aimsim/utils/plotting_scripts.py -m unittest discover -v | |
| - name: Show Coverage | |
| run: | | |
| coverage report -m | |
| pypi: | |
| name: Build and publish Python 🐍 distributions 📦 to PyPI | |
| runs-on: ubuntu-latest | |
| # only run if the tests pass | |
| needs: build | |
| # run only on pushes to master on AIMSim | |
| if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/master' && github.repository == 'VlachosGroup/AIMSim'}} | |
| steps: | |
| - uses: actions/checkout@master | |
| - name: Set up Python 3.10 | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: "3.10" | |
| - name: Install pypa/build | |
| run: >- | |
| python -m | |
| pip install | |
| build | |
| --user | |
| - name: Build a binary wheel and a source tarball | |
| run: >- | |
| python -m | |
| build | |
| --sdist | |
| --wheel | |
| --outdir dist/ | |
| . | |
| - name: Publish distribution 📦 to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| skip-existing: true | |
| verbose: true | |
| - run: rm -rf dist | |
| - name: Build a binary wheel and a source tarball for core package | |
| run: | | |
| CORE_ONLY=1 python -m build --sdist --wheel --outdir dist/ . | |
| - name: Publish distribution 📦 to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| skip-existing: true | |
| verbose: true |