ase>=3.22
numpy>=1.21
scipy>=1.7
matplotlib>=3.5

[dev]
NEBwalk[test]
build
mypy==2.3.1
numpy<2.5
ruff==0.16.7
twine

[docs]
mkdocs>=1.6
mkdocstrings[python]>=0.25

[mace]
mace-torch<0.4,>=0.3.12

[test]
pytest>=7
pytest-cov>=5
numpy

[training]
mace-torch<0.4,>=0.3.12
