Update python-package.yml #224
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| # 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: ["3.9", "3.11"] | ||
| include: | ||
| - python-version: "3.9" | ||
| numpy-version: "1.26.4" | ||
| 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 }} | ||
| - if: runner.os == 'Linux' | ||
| run: | | ||
| sudo apt update | ||
| sudo apt-get update | ||
| sudo apt-get -y install libopenblas-dev | ||
| - name: Install dependencies | ||
| run: | | ||
| python -m pip install --upgrade pip | ||
| python -m pip install flake8 pytest | ||
| python -m pip install mdtraj | ||
| python -m pip install . | ||
| if [ -f requirements.txt ]; then pip install --upgrade -r requirements.txt; fi | ||
| #- 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 pytim/ --doctest-modules | ||
