ase>=3.22
numpy>=1.24
scipy>=1.10
torch>=2.0
pyyaml>=6.0

[all]
mace-torch>=0.3
e3nn<0.5,>=0.4.4
chgnet>=0.3
matplotlib>=3.5

[analysis]
matplotlib>=3.5

[chgnet]
chgnet>=0.3

[dev]
pytest>=7.0
pytest-cov>=4.0
matplotlib>=3.5

[docs]
sphinx
myst-parser
sphinx-rtd-theme
sphinx-copybutton
sphinx-design

[full]
mace-torch>=0.3
chgnet>=0.3
sevenn>=0.10
matplotlib>=3.5

[mace]
mace-torch>=0.3
e3nn<0.5,>=0.4.4

[sevennet]
sevenn>=0.10
