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lines changed Original file line number Diff line number Diff line change 4343 - name : Install updated e3nn dependencies
4444 run : |
4545 uv sync --extra mattersim --extra fairchem --extra sevennet --extra nequip --extra d3
46- uv pip install --reinstall pynvml
4746 uv pip install fairchem-core[torch-extras] --no-build-isolation
4847
4948 - name : Run test suite for updated e3nn dependencies
5453 run : uv run --no-sync pytest tests/test_{mlip_calculators,single_point}.py
5554
5655 - name : Install dgl dependencies
57- run : |
58- uv sync --extra mace --extra m3gnet --extra alignn --extra d3
59- uv pip install --reinstall pynvml
56+ run : uv sync --extra mace --extra m3gnet --extra alignn --extra d3
6057
6158 - name : Run test suite for dgl dependencies
6259 env :
7269 - name : Install UMA
7370 run : |
7471 uv sync --extra uma
75- uv pip install --reinstall pynvml
7672 uv pip install fairchem-core[torch-extras] --no-build-isolation
7773
7874 - name : Run test suite for UMA
@@ -122,9 +118,7 @@ jobs:
122118 uses : pandoc/actions/setup@v1
123119
124120 - name : Install dependencies
125- run : |
126- uv sync --extra mace
127- uv pip install --reinstall pynvml
121+ run : uv sync --extra mace
128122
129123 - name : Build docs
130124 run : cd docs && uv run make html
Original file line number Diff line number Diff line change 4343 - name : Install updated e3nn dependencies
4444 run : |
4545 uv sync --extra mattersim --extra fairchem --extra sevennet --extra nequip --extra d3
46- uv pip install --reinstall pynvml
4746 uv pip install "fairchem-core[torch-extras]" --no-build-isolation
4847
4948 - name : Run test suite for updated e3nn dependencies
5453 run : uv run --no-sync pytest tests/test_{mlip_calculators,single_point}.py
5554
5655 - name : Install dgl dependencies
57- run : |
58- uv sync --extra mace --extra m3gnet --extra alignn --extra d3
59- uv pip install --reinstall pynvml
56+ run : uv sync --extra mace --extra m3gnet --extra alignn --extra d3
6057
6158 - name : Run test suite for dgl dependencies
6259 env :
6764 - name : Install uma
6865 run : |
6966 uv sync --extra uma
70- uv pip install --reinstall pynvml
7167 uv pip install fairchem-core[torch-extras] --no-build-isolation
7268
7369 - name : Run test suite for UMA
Original file line number Diff line number Diff line change 3232 - name : Install updated e3nn dependencies
3333 run : |
3434 uv sync --extra fairchem --extra sevennet --extra nequip
35- uv pip install --reinstall pynvml
3635 uv pip install "fairchem-core[torch-extras]" --no-build-isolation
3736
3837 - name : Run test suite for updated e3nn dependencies
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