pysipfenn>=0.18.0
chgnet==0.4.2
torch>=2.3.0
pymatgen<=2025.10.7,>=2024.2.20
emmet-core>=0.87.0
spglib>=2.5.0
numpy>=2.0.0
tqdm>=4.65.0
nbformat>=5
natsort>=8.3.0
pymongo>=4.4
pysmartdl2>=2.0.0
colorama>=0.4.6
yaspin
dnspython
ruamel.yaml
distinctipy
scipy
scikit-learn
pandas
plotly

[:sys_platform == "linux"]
mpdd-alignn>=1.3.1
torchdata==0.9.0
dgl>=2.2.0

[alignn]
mpdd-alignn>=1.3.1
dgl>=2.2.0
torchdata==0.9.0

[dev]
crystall-search[docs,test]
black
flake8
isort

[docs]
sphinx>5.0.0
sphinx-rtd-theme>=1.3.0
sphinx-rtd-size
sphinx-autodoc-typehints
sphinx-github-changelog>=1.2.1
myst-nb>=0.17.2

[test]
pytest>=7.0.0
pytest-cov
pytest-order
flask
