remove qscalar test #5
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| name: TorchNEP tests | |
| # Run the TorchNEP pytest suite only when TorchNEP *code* changes — i.e. a .py | |
| # file under torchnep/, the package config, or this workflow itself. Doc-only | |
| # edits (README, etc.) do NOT trigger it, and ordinary GPUMD (C++/CUDA) pull | |
| # requests are unaffected. | |
| on: | |
| pull_request: | |
| paths: | |
| - 'torchnep/**.py' | |
| - 'torchnep/pyproject.toml' | |
| - '.github/workflows/torchnep-test.yml' | |
| push: | |
| branches: [master] | |
| paths: | |
| - 'torchnep/**.py' | |
| - 'torchnep/pyproject.toml' | |
| - '.github/workflows/torchnep-test.yml' | |
| defaults: | |
| run: | |
| working-directory: torchnep | |
| jobs: | |
| test: | |
| name: pytest (CPU, py3.10) | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.10' | |
| cache: pip | |
| - name: Install CPU PyTorch + TorchNEP (with test extras) | |
| run: | | |
| python -m pip install --upgrade pip | |
| # CPU-only torch wheel — keeps CI light and avoids CUDA downloads. | |
| pip install torch --index-url https://download.pytorch.org/whl/cpu | |
| # torch is already satisfied above; this pulls numpy + ase + pytest. | |
| pip install -e '.[torch,ase,dev]' | |
| - name: Run tests (CPU) | |
| env: | |
| TEST_DEVICE: cpu | |
| run: pytest -q |