Final version bump to 1.0.1, ready for stable release on PyPI. #13
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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://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python | |
| name: Python package | |
| on: | |
| push: | |
| branches: [ "main" ] | |
| pull_request: | |
| branches: [ "main" ] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install flake8 pytest | |
| if [ -f requirements.txt ]; then pip install -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 COMPLAX | |
| run: | | |
| python -c "import complax; print('COMPLAX imported successfully')" | |
| - name: Debug folder | |
| run: | | |
| pwd | |
| ls -R | |
| - name: Run example | |
| run: | | |
| if [ -f /home/runner/work/complax/examples/meli.xyz ] && [ -f /home/runner/work/complax/examples/thf.xyz ]; then | |
| python /home/runner/work/complax/complax.py /home/runner/work/complax/examples/meli.xyz /home/runner/work/complax/examples/thf.xyz -a 5 2 -c 3 --solvfx | |
| else | |
| echo "Example files not found, skipping." | |
| fi |