pint>=0.20
mace-torch>=0.3
matscipy>=0.8

[cueq]
cuequivariance>=0.3
cuequivariance-torch>=0.3

[dev]
pytest>=7
pytest-xdist
black
ruff
sphinx
sphinx-rtd-theme

[gpu]
vesin-torch>=0.3

[gpu-full]
lammps-mdi[gpu]
lammps-mdi[cueq]
