New: Complete vibrational analysis for non-linear polyatomics #174
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| name: test | |
| on: | |
| push: | |
| pull_request: | |
| workflow_dispatch: | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| # Repository | |
| - name: Checkout the code | |
| uses: actions/checkout@v4 | |
| # Environment | |
| - name: Download environment files | |
| run: | | |
| wget https://raw.githubusercontent.com/Auto-Mech/amech-dev/main/pixi.toml | |
| wget https://raw.githubusercontent.com/Auto-Mech/amech-dev/main/pixi.lock | |
| - name: Set up Pixi | |
| uses: prefix-dev/[email protected] | |
| - name: Pip install | |
| run: | | |
| pixi run pip install -e . --no-deps | |
| # Test | |
| - name: Test | |
| run: | | |
| pixi run pytest -v automol | |
| pixi run pytest -v autoreact |