Pickle rebased #12
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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: | |
| pull_request: | |
| branches: [ "master" ] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| python-version: ["3.9", "3.10"] # ver. 3.11 is not supported by TP | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install general dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install pytest | |
| - name: Checkout tensorpotential | |
| uses: actions/checkout@v2 | |
| with: | |
| repository: ICAMS/TensorPotential | |
| path: tensorpotential | |
| - name: Install tensorpotential | |
| run: | | |
| cd tensorpotential | |
| if [ -f requirements.txt ]; then pip install -r requirements.txt; fi | |
| #python setup.py install | |
| pip install . | |
| - name: Install python-ace | |
| run: | | |
| if [ -f requirements.txt ]; then pip install -r requirements.txt; fi | |
| #python setup.py install | |
| pip install . | |
| - name: Install maxvolpy | |
| run: | | |
| # pip install . does not run the setup.py install hook that installs | |
| # the vendored maxvolpy, so install it explicitly. Its setup.py imports | |
| # Cython and numpy at the top level, hence no build isolation. | |
| pip install cython | |
| pip install --no-build-isolation ./lib/maxvolpy | |
| - name: Test with python-ace with tensorpotential | |
| run: | | |
| python -m pytest tests/ --runtensorpot | |
| - name: Integration test of CLI | |
| run: | | |
| cd tests/test-CLI/Cu-I && sh integration_test.sh | |
| cd ../Ethanol && sh integration_test.sh |