phonopy>=2.9
spglib>=2.4
spgrep>=0.3.1
ase>=3.21
numpy>=1.21
scipy>=1.11
sympy>=1.10
pandas>=2.2.2
matplotlib>=3.9
seekpath>=2.0
pymatgen>=2025.1.9

[all]
CrystOD[doc,quantum]

[dev]
CrystOD[doc,quantum]
ruff
nbconvert
ipykernel
build
twine

[doc]
sphinx
myst-parser
sphinx-book-theme
sphinx-copybutton

[quantum]
pyscf<2.14,>=2.4
