numpy<2.0
scipy>=1.6.1
jarvis-tools>=2021.07.19
torch<=2.2.1
mpmath<=1.3.0
dgl<=1.1.1
spglib>=2.0.2
scikit-learn>=0.22.2
matplotlib>=3.4.1
tqdm>=4.60.0
pandas>=1.2.3
pydantic>=1.8.1
pydantic-settings
flake8>=3.9.1
pycodestyle>=2.7.0
pydocstyle>=6.0.0
pyparsing<3,>=2.2.1
ase
lmdb
