numpy>=1.14.3
monty
scipy
h5py
wcmatch

[:python_version < "3.8"]
importlib_metadata>=1.4

[amber]
parmed

[ase]
ase

[docs]
sphinx
recommonmark
sphinx_rtd_theme>=1.0.0rc1
numpydoc
m2r2
deepmodeling-sphinx>=0.1.1
sphinx-argparse

[pymatgen]
pymatgen
