numpy
dpdata[amber]>=0.2.2
tqdm
ase
scipy

[:python_version < "3.8"]
parmed<4

[:python_version >= "3.8"]
parmed>=4

[dpcpu]
deepmd-kit[cpu]>=2

[dpgpu]
deepmd-kit[gpu]>=2

[test]
pytest
pytest-cov
pytest-mock
deepmd-kit>=2.2.2
