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| Dependency | Optional | Group |
|---|---|---|
| array-api-compat | false | |
| dargs | false | |
| h5py | false | |
| importlib-metadata | false |
| mendeleev | false |
| ml-dtypes | false |
| numpy | false |
| packaging | false |
| pyyaml | false |
| scipy | false |
| typing-extensions | false |
| wcmatch | false |
| array-api-strict | true | test |
| ase | true | test |
| breathe | true | docs |
| deepmodeling-sphinx | true | docs |
| dpdata | true | test |
| dpgui | true | test |
| exhale | true | docs |
| flax | true | jax |
| horovod | true | mpi |
| ipi | true | ipi |
| jax | true | jax |
| lammps | true | lmp |
| mpi4py | true | mpi |
| mpich | true | torch |
| myst-nb | true | docs |
| myst-parser | true | docs |
| numpydoc | true | docs |
| nvidia-cublas-cu12 | true | cu12 |
| nvidia-cuda-nvcc-cu12 | true | cu12 |
| nvidia-cuda-runtime-cu12 | true | cu12 |
| nvidia-cudnn-cu12 | true | cu12 |
| nvidia-cufft-cu12 | true | cu12 |
| nvidia-curand-cu12 | true | cu12 |
| nvidia-cusolver-cu12 | true | cu12 |
| nvidia-cusparse-cu12 | true | cu12 |
| orbax-checkpoint | true | jax |
| pygments-lammps | true | docs |
| pytest | true | test |
| pytest-cov | true | test |
| pytest-split | true | test |
| pytest-sugar | true | test |
| sphinx | true | docs |
| sphinx-argparse | true | docs |
| sphinx-autoapi | true | docs |
| sphinx-book-theme | true | docs |
| sphinx-design | true | docs |
| sphinx-remove-toctrees | true | docs |
| sphinxcontrib-bibtex | true | docs |
| sphinxcontrib-moderncmakedomain | true | docs |
| sphinxcontrib-programoutput | true | docs |
| tensorflow | true | cpu |
| tensorflow-cpu | true | cpu |
| tensorflow-metal | true | gpu |
| torch | true | torch |