click>=8.0.0

[all]
atomix[dev,llm,mlip,science]

[dev]
build>=1.2.0
pytest>=7.0.0
pytest-cov>=4.0.0
ruff>=0.1.0
mypy>=1.0.0

[llm]
openai>=1.0.0
anthropic>=0.18.0

[mlip]
mace-torch>=0.3.0
torch>=2.0.0

[science]
ase>=3.22.0
numpy>=1.21.0
scipy>=1.7.0
pymatgen>=2023.0.0
pyyaml>=6.0
requests>=2.28.0
