numpy>=2.0
ase>=3.23
pandas>=2.2.2
scipy>=1.13
pymatgen>=2024.8.8
numba>=0.60
matplotlib>=3.9
tqdm>=4.66

[fast]
matscipy>=1.0

[persistent_homology]
dionysus

[test]
pytest
pytest-cov

[visualization]
plotly
scikit-image
ovito
ipywidgets

[volume_estimation]
atomate2
mp_api

[workflows]
fireworks
jobflow
atomate2
PyYAML
scikit-learn
