numpy<3,>=1.26
scipy<2,>=1.11
matplotlib<4,>=3.8
PyYAML<7,>=6.0
typer<1,>=0.12
rich<16,>=13.7
threadpoolctl<4,>=3.5

[atoms]
ase<4,>=3.23

[chemistry]
pyscf<4,>=2.8

[dev]
pytest<10,>=8.0
ruff<1,>=0.9
build<2,>=1.2
twine<7,>=5

[diagnostics]

[docs]
mkdocs<2,>=1.6
mkdocs-material<10,>=9.5

[magnetism]
ase<4,>=3.29
gpaw<27,>=26.7

[perovskite]
ase<4,>=3.29
gpaw<27,>=26.7

[web]
streamlit<2,>=1.40
