requires.txt

numpy
scipy
pyyaml
dargs>=0.2.6
python-hostlist>=1.21
h5py
wcmatch
packaging

[:python_version < "3.7"]
typing_extensions

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

[cpu]
tensorflow-cpu

[docs]
sphinx>=3.1.1
recommonmark
sphinx_rtd_theme>=1.0.0rc1
sphinx_markdown_tables
myst-parser
breathe
exhale
numpydoc
ase
deepmodeling-sphinx>=0.1.0
dargs>=0.3.1
sphinx-argparse
pygments-lammps

[gpu]
tensorflow

[test]
dpdata>=0.1.9
ase
pytest
pytest-cov
pytest-sugar