jupyter<2,>=1.0.0
ipywidgets<9,>=8.0.0
notebook<8,>=7.0.0
numpy<3,>=1.24.0
requests<3,>=2.28.0
py3Dmol<3,>=2.0.0
matplotlib<4,>=3.7.0
plotly<7,>=5.0.0
plotlymol<1,>=0.2.1

[app]
voila<0.6,>=0.5.0
ipykernel<8,>=6.0.0

[ase]
ase<4,>=3.22.0

[dev]
pytest>=7.0.0
pytest-cov>=4.0.0
pytest-mock>=3.10.0
pytest-xdist>=3.0.0
mypy>=1.0.0
types-requests>=2.28.0
ruff~=0.16.0
pre-commit>=3.7.0

[dev:python_version < "3.10"]
black~=25.11.0

[dev:python_version >= "3.10"]
black~=26.5.1

[gpu-cuda12x]
gpu4pyscf-cuda12x
cupy-cuda12x
cutensor-cu12

[gpu-cuda13x]
gpu4pyscf-cuda13x
cupy-cuda13x
cutensor-cu13

[notebook]
nbmake>=1.4.0
ipykernel<8,>=6.0.0

[pyscf]
pyscf<3,>=2.13.0
pyscf-properties
