numpy<3.0,>=1.26.0
pandas<3.0,>=2.1.0
pymatgen<=2025.10.7,>=2022.1.9
scipy<2.0,>=1.7.2
numba<=0.65.1,>=0.59.0
typer>=0.6.1
rich<=15.0.0,>=11.0

[DEV]
pytest
pytest-xdist
black
isort
mkdocs
mkdocs-material
mkdocstrings-python
h5py<4,>=3.6.0
spyder
spyder-kernels

[gui]
pyvista<=0.48.4,>=0.47.0
pyvistaqt<=0.11.4,>=0.6.0
qtpy<3.0,>=2.0.0
PyQt5
