Build(deps): update scipy requirement from ~=1.7 to ~=1.12 #1017
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| name: Run tests | |
| on: | |
| pull_request: | |
| push: | |
| branches: | |
| - master | |
| concurrency: | |
| group: ${{ github.head_ref || github.run_id }} | |
| cancel-in-progress: true | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python 3.9 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: 3.9 | |
| - name: Install dependencies | |
| run: | | |
| cp tests/data/matador_pipelines_conf.yml $HOME/.matadorrc | |
| python -m pip install --upgrade setuptools | |
| pip install -r requirements/dev_requirements.txt | |
| - name: Check for syntax errors and lint with flake8 | |
| run: | | |
| pip install flake8 | |
| flake8 . \ | |
| --count --select=E9,F63,F7,F82 --show-source --statistics | |
| flake8 . \ | |
| --count \ | |
| --statistics | |
| - name: Run pre-commit | |
| run: | | |
| pre-commit run --all-files || ( git status --short; git diff; exit 1 ) | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| max-parallel: 4 | |
| matrix: | |
| python-version: [3.9, "3.10"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| cp tests/data/matador_pipelines_conf.yml $HOME/.matadorrc | |
| python -m pip install --upgrade setuptools pip wheel | |
| pip install -e .[test,optional] | |
| - name: Test with pytest | |
| run: | | |
| py.test -rs --cov-config .coveragerc --cov=./matador/ --cov-report=xml | |
| # - name: Test notebook examples | |
| # if: matrix.python-version == 3.8 && github.repository == 'ml-evs/matador' | |
| # run: | | |
| # py.test -rs -vvv --nbval --current-env --cov-config .coveragerc --cov=./matador/ --cov-append --cov-report=xml examples/interactive/magres_plotting/ | |
| # py.test -rs -vvv --nbval --current-env --cov-config .coveragerc --cov=./matador/ --cov-append --cov-report=xml examples/interactive/voltage/ | |
| # py.test -rs -vvv --nbval-lax --current-env --cov-config .coveragerc --cov=./matador/ --cov-append --cov-report=xml examples/interactive/pymatgen_and_ase_interfaces/ | |
| # py.test -rs -vvv --nbval-lax --current-env --cov-config .coveragerc --cov=./matador/ --cov-append --cov-report=xml examples/interactive/plot_styles/ | |
| - name: Upload coverage to Codecov | |
| if: matrix.python-version == 3.8 && github.repository == 'ml-evs/matador' | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests |