enable hdf5 for phonons bands #264
Workflow file for this run
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: windows-ci | |
| on: [push, pull_request] | |
| jobs: | |
| tests: | |
| runs-on: windows-latest | |
| timeout-minutes: 60 | |
| strategy: | |
| matrix: | |
| python-version: ["3.10","3.11","3.12"] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install uv | |
| uses: astral-sh/setup-uv@v6 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| prune-cache: false | |
| - name: Install "all" dependencies | |
| run: uv sync --extra all | |
| - name: Run test suite | |
| env: | |
| # show timings of tests | |
| PYTEST_ADDOPTS: "--durations=0" | |
| run: uv run --no-sync pytest | |
| - name: Install updated e3nn dependencies | |
| run: | | |
| uv sync --extra fairchem --extra sevennet --extra nequip | |
| uv pip install --reinstall pynvml | |
| uv pip install "fairchem-core[torch-extras]" --no-build-isolation | |
| - name: Run test suite for updated e3nn dependencies | |
| env: | |
| # show timings of tests | |
| PYTEST_ADDOPTS: "--durations=0" | |
| HF_TOKEN: ${{ secrets.HF_TOKEN }} | |
| run: uv run --no-sync pytest tests/test_mlip_calculators.py tests/test_single_point.py |