Fix: Don't include nan values when accessing potential #19
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| name: test | |
| on: [push, pull_request] | |
| jobs: | |
| test: | |
| strategy: | |
| fail-fast: false | |
| name: test | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout the code | |
| uses: actions/checkout@v4 | |
| - name: Download central config files | |
| run: | | |
| wget https://raw.githubusercontent.com/avcopan/amech-dev/main/pixi.toml | |
| wget https://raw.githubusercontent.com/avcopan/amech-dev/main/pixi.lock | |
| - name: Set up Pixi | |
| uses: prefix-dev/[email protected] | |
| - name: Pip install | |
| run: | | |
| pixi run pip install . --no-deps | |
| - name: Run linter | |
| run: | | |
| pixi run pylint --rcfile=.pylintrc automol | |
| pixi run pylint --rcfile=.pylintrc phydat | |
| pixi run pylint --rcfile=.pylintrc autoreact | |
| - name: Run pytests | |
| run: | | |
| pixi run pytest -v automol --ignore=automol/tests/test_symm.py | |
| pixi run pytest -v autoreact |