ase>=3.26.0
numpy>=2.0.0
click>=8.0.0
requests>=2.25.0
sella>=2.0.0

[dev]
pytest>=7.0.0
pytest-cov>=4.0.0
ruff~=0.14.5
mypy>=1.0.0
scipy-stubs>=1.14.0
types-requests>=2.25.0
types-tqdm>=4.66.0
types-psutil>=5.9.0

[pet]
upet

[uma]
fairchem-core>=2.21.0
