fix generate_LAMMPS_structure when POSCAR is written with non-grouped… #53
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| name: Test Build wheels and Deploy | |
| # Build on every branch push, tag push, and pull request change: | |
| on: [push, pull_request] | |
| # Alternatively, to publish when a (published) GitHub Release is created, use the following: | |
| # on: | |
| # push: | |
| # pull_request: | |
| # release: | |
| # types: | |
| # - published | |
| jobs: | |
| test_code: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [ 3.7, 3.8, 3.9 ] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| 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: Build c extensions | |
| run: | | |
| #python setup.py build_ext --inplace | |
| python setup.py install | |
| - name: Test with pytest | |
| run: | | |
| # pytest test | |
| cd unittest | |
| pytest | |
| build_wheels: | |
| name: Build wheels on ${{ matrix.os }} | |
| runs-on: ${{ matrix.os }} | |
| needs: [ test_code ] | |
| if: github.ref == 'refs/heads/master' | |
| strategy: | |
| matrix: | |
| os: [ubuntu-20.04, windows-2019, macos-10.15] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - uses: actions/setup-python@v2 | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.4.0 | |
| env: | |
| CIBW_BEFORE_BUILD: pip install numpy==1.19.5 | |
| CIBW_BUILD: cp36-* cp37-* cp38-* | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.4.0 | |
| env: | |
| CIBW_BEFORE_BUILD: pip install numpy==1.21.6 | |
| CIBW_BUILD: cp39-* cp310-* | |
| CIBW_ARCHS_MACOS: x86_64 universal2 | |
| - uses: actions/upload-artifact@v2 | |
| with: | |
| path: ./wheelhouse/*.whl | |
| build_sdist: | |
| name: Build source distribution | |
| needs: [ test_code ] | |
| runs-on: ubuntu-latest | |
| if: github.ref == 'refs/heads/master' | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: '3.x' | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install numpy | |
| - name: Build sdist | |
| run: | | |
| python setup.py sdist | |
| - uses: actions/upload-artifact@v2 | |
| with: | |
| path: dist/*.tar.gz | |
| upload_pypi: | |
| needs: [build_wheels, build_sdist, test_code] | |
| runs-on: ubuntu-latest | |
| if: github.ref == 'refs/heads/master' | |
| # upload to PyPI on every tag starting with 'v' | |
| # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v') | |
| # alternatively, to publish when a GitHub Release is created, use the following rule: | |
| # if: github.event_name == 'release' && github.event.action == 'published' | |
| steps: | |
| - uses: actions/download-artifact@v2 | |
| with: | |
| name: artifact | |
| path: dist | |
| - uses: pypa/gh-action-pypi-publish@v1.4.2 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| # repository_url: https://test.pypi.org/legacy/ | |
| skip_existing: true |