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- name : Check out repo
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uses : actions/checkout@v4
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- - name : Check out fairchem repository
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- if : ${{ matrix.model.name == 'fairchem' }}
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- uses : actions/checkout@v4
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- with :
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- repository : FAIR-Chem/fairchem
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- path : fairchem-repo
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- ref : fairchem_core-1.10.0
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-
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- name : Set up Python
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uses : actions/setup-python@v5
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with :
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- name : Set up uv
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uses : astral-sh/setup-uv@v6
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- - name : Install fairchem repository and dependencies
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+ - name : Install fairchem and dependencies
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if : ${{ matrix.model.name == 'fairchem' }}
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- env :
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- HF_TOKEN : ${{ secrets.HUGGING_FACE_TOKEN }}
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run : |
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- uv pip install huggingface_hub --system
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- if [ -n "$HF_TOKEN" ]; then
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- huggingface-cli login --token "$HF_TOKEN"
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- else
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- echo "HF_TOKEN is not set. Skipping login."
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- fi
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- if [ -f fairchem-repo/packages/requirements.txt ]; then
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- uv pip install -r fairchem-repo/packages/requirements.txt --system
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- fi
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- if [ -f fairchem-repo/packages/requirements-optional.txt ]; then
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- uv pip install -r fairchem-repo/packages/requirements-optional.txt --system
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- fi
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- uv pip install -e fairchem-repo/packages/fairchem-core[dev] --system
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+ uv pip install "torch>2" --index-url https://download.pytorch.org/whl/cpu --system
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+ uv pip install "torch-scatter" -f https://data.pyg.org/whl/torch-2.6.0+cpu.html --system
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+ uv pip install "torch-sparse" -f https://data.pyg.org/whl/torch-2.6.0+cpu.html --system
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+ uv pip install "fairchem-core>=2.2.0" --system
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uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system
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- name : Install torch_sim with model dependencies
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uv pip install -e .[test,${{ matrix.model.name }}] --resolution=${{ matrix.version.resolution }} --system
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- name : Run ${{ matrix.model.test_path }} tests
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+ env :
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+ HF_TOKEN : ${{ secrets.HUGGING_FACE_TOKEN }}
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run : |
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pytest --cov=torch_sim --cov-report=xml ${{ matrix.model.test_path }}
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