Disable scaled positions #1152
Workflow file for this run
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| # This is a basic workflow | |
| name: ci-tests | |
| # Controls when the action will run. Triggers the workflow on push or pull request | |
| # events but only for the master branch | |
| on: | |
| push: | |
| # Just run on main to maintain code quality control | |
| branches: [ main ] | |
| pull_request: | |
| # Run on all pull requests when updated. | |
| # A workflow run is made up of one or more jobs that can run sequentially or in parallel | |
| jobs: | |
| # This workflow contains a single job called "build" | |
| build: | |
| # This allows us to find the workflow in checks | |
| name: ci-test | |
| # The type of runner that the job will run on | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| # python-version: ['3.7', '3.8', '3.9'] | |
| python-version: ['3.7', '3.8'] | |
| # Steps represent a sequence of tasks that will be executed as part of the job | |
| steps: | |
| # Checks-out your repository under $GITHUB_WORKSPACE, so your job can access it | |
| - uses: actions/checkout@v4 | |
| # Ensure we are running Python v3.x | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| # Install ASE so we can run our tests | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install --upgrade ase | |
| #Upgrading Catlearn to the most recent version | |
| python -m pip install https://github.com/SUNCAT-Center/CatLearn/archive/refs/heads/master.zip | |
| python -m pip install --upgrade ase-gpatom | |
| python -m pip install --upgrade pytest | |
| python -m pip install --upgrade pytest-cov | |
| # Removing as presumably MACE will automatically install dependencies | |
| # python -m pip install torch torchvision torchaudio | |
| # Restricted MACE as > 0.3.4 fails on Python 3.7 | |
| python -m pip install mace-torch==0.3.4 | |
| python -m pip install --upgrade pymatgen | |
| # Debug | |
| python -m pip freeze | |
| # Setup Python environment | |
| - name: Setup Python environment | |
| run: | | |
| # This is debug, as setting the Python Path wasn't obvious. | |
| # echo $PWD | |
| # ls -lrt | |
| # env | sort | |
| # | |
| # This is depreciated. It can be over-ridden with: | |
| # echo "ACTIONS_ALLOW_UNSECURE_COMMANDS=true" >> $GITHUB_ENV | |
| # echo "::set-env name=PYTHONPATH::/home/runner/work/carmm/carmm" | |
| # | |
| # Example new implementation from: https://docs.github.com/en/free-pro-team@latest/actions/reference/workflow-commands-for-github-actions#environment-files | |
| echo "PYTHONPATH=/home/runner/work/carmm/carmm:$PYTHONPATH" >> $GITHUB_ENV | |
| # Runs a set of commands using the runners shell | |
| # Updated to run on pytest so we might be able to export data | |
| - name: Run the examples | |
| run: | | |
| cd examples | |
| pytest --cov=../ --cov-report=xml *.py | |
| # Upload all the data on coverage to CodeCov | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./examples/coverage.xml | |
| flags: unittests | |