ase>=3.23
matplotlib>=3.7
numpy>=1.24
PyYAML>=6.0
seaborn>=0.13

[atomistic]
pymatgen>=2024.5

[dev]
pytest>=8.0
ruff>=0.6

[docs]
mkdocs>=1.6
mkdocs-material>=9.5

[mace]
mace-torch>=0.3

[release]
build>=1.2
twine>=5.1

[selection]
calorine>=3.3
