Reduced-unit profiles for NpT runs and freud integration #480
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| # This workflow will install Python dependencies, run tests and lint with a variety of Python versions | |
| # For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions | |
| name: Python package | |
| on: [ push ] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.10", "3.11", "3.12", "3.13", "3.14"] | |
| include: | |
| - python-version: "3.10" | |
| numpy-version: "2.1.3" | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - if: ${{ matrix.numpy-version}} | |
| run: python -m pip install numpy==${{ matrix.numpy-version }} | |
| - name: Install dependencies for testing | |
| run: | | |
| python -m pip install --upgrade pip | |
| if [ -f requirements.testing.txt ]; then pip install -r requirements.testing.txt; fi | |
| python -m build | |
| python -m pip install dist/*.whl | |
| python -m pip install pytest pytest-cov | |
| #- name: Lint with flake8 | |
| # run: | | |
| # # stop the build if there are Python syntax errors or undefined names | |
| # flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics | |
| # # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide | |
| # flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics | |
| - name: Test with pytest | |
| run: | | |
| pytest --cov=pytim --cov-report=xml | |
| - name: Upload coverage reports to Codecov with GitHub Action | |
| uses: codecov/codecov-action@v5 | |
| - name: Clone pytim-notebooks | |
| run: | | |
| git clone https://github.com/Marcello-Sega/pytim-notebooks.git | |
| - name: Install dependencies for pytim-notebooks | |
| run: | | |
| cd pytim-notebooks | |
| if [ -f requirements.txt ]; then pip install -r requirements.txt; fi | |
| - name: Test pytim-notebooks | |
| run: | | |
| cd pytim-notebooks | |
| IFS=$(echo -ne "\n\b") ; | |
| for notebook in $(find . -name "*.ipynb"); do | |
| base=$(basename "$notebook" .ipynb) | |
| output="executed_${base}.ipynb" | |
| echo "Running $notebook" | |
| jupyter nbconvert --to notebook --execute "$notebook" --output "$output" | |
| done |