mace-torch>=0.3.10
ase>=3.22.0
phonopy>=2.20.0
numpy>=1.20.0
click>=8.0.0

[all]
mace-inference[d3,dev,docs,gpu]

[d3]
torch-dftd>=0.4.0

[dev]
pytest>=7.0.0
pytest-cov>=3.0.0
ruff>=0.1.0
mypy>=0.950

[docs]
mkdocs-material>=9.0.0
mkdocstrings[python]>=0.24.0
mkdocs-gen-files>=0.5.0
mkdocs-literate-nav>=0.6.0

[gpu]
torch<2.4.0,>=2.3.0
