numpy>=1.23.2
scipy>=1.13
pyscf>=2.3
geometric>=1.0.2

[dev]
build
markdown-it-py>=3
pytest
pytest-cov
ruff<0.16,>=0.15
mypy>=1.10
twine

[docs]
mkdocs<2,>=1.6
mkdocs-material<10,>=9.5
mkdocstrings[python]>=1.0

[gpu-cuda12]

[gpu-cuda12:sys_platform == "linux"]
gpu4pyscf-cuda12x>=1.8
cupy-cuda12x[ctk]>=14

[gpu-cuda13]

[gpu-cuda13:sys_platform == "linux"]
gpu4pyscf-cuda13x>=1.8
cupy-cuda13x[ctk]>=14
