numpy<2.3.1,>=1.26.0
pandas<2.3.0,>=2.1.0
pymatgen<2025.6.14,>=2022.1.9
scipy<1.16.0,>=1.7.2
numba<0.61.2,>=0.59.0
typer<0.16.0,>=0.6.1
rich<14.0,>=11.0

[DEV]
streamlit<1.46.1,>=1.40.0
pyvista[jupyter]<0.45.2,>=0.44.0
pytest
black
isort
mkdocs
mkdocs-material
mkdocstrings-python

[webapp]
streamlit<1.46.1,>=1.40.0
pyvista[jupyter]<0.45.2,>=0.44.0
