Diego thermodynamic fix #372
Workflow file for this run
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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: | |
| branches: [ master ] | |
| pull_request: | |
| branches: [ master ] | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: [3.8] | |
| services: | |
| rabbitmq: | |
| image: rabbitmq:latest | |
| ports: | |
| - 5672:5672 | |
| 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 | |
| pip install flake8 pytest~=6.0 pgtest~=1.3 aiida-core~=2.3 aiida-quantumespresso~=4.3 | |
| if [ ${{matrix.python-version}} -eq 2.7 ]; then pip install -r requirements2.txt; | |
| else pip install -r requirements.txt; fi | |
| aiida-pseudo install | |
| - 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: Install | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install git gfortran libblas-dev liblapack-dev | |
| git clone https://github.com/mesonepigreco/CellConstructor.git | |
| cd CellConstructor | |
| python setup.py install --user | |
| cd .. | |
| python setup.py install --user | |
| # Install julia requirements | |
| python -c 'import julia; julia.install()' | |
| - name: Test with pytest | |
| env: | |
| OMP_NUM_THREADS: 1 | |
| run: | | |
| cd tests | |
| rm -rf __pycache__ | |
| # Test excluding very long running tests | |
| pytest -v -m "not release" |