numpy>=1.26
scipy>=1.11
PyYAML>=6.0

[all]
pytest>=7
ruff>=0.6
pyscf==2.13.1
basis-set-exchange
jupyter>=1
pandas>=2
matplotlib>=3.8
mkdocs<2,>=1.6
mkdocs-material>=9.5
mkdocs-jupyter>=0.24
build>=1.2
twine>=5

[audit]
basis-set-exchange

[dev]
pytest>=7
ruff>=0.6

[docs]
jupyter>=1
pandas>=2
matplotlib>=3.8
mkdocs<2,>=1.6
mkdocs-material>=9.5
mkdocs-jupyter>=0.24

[generator]
pyscf==2.13.1
basis-set-exchange

[release]
build>=1.2
twine>=5

[test]
pytest>=7
