numpy>=1.21.0
pyyaml>=5.4
scikit-learn>=1.0.0
matplotlib>=3.4.0
ase>=3.22.0
h5py>=3.3.0

[dev]
pytest>=7.0.0
pytest-cov>=3.0.0
black>=22.0.0
isort>=5.10.0
flake8>=4.0.0
mypy>=0.950

[docs]
sphinx>=4.5.0
sphinx-rtd-theme>=1.0.0

[sevennet]
sevenn>=0.12.0

[torch]
torch>=1.13.0
torch_geometric>=2.2.0

[wacsf]
torch>=1.13.0
ase>=3.22.0
h5py>=3.3.0
