numpy<3,>=2.0
scipy<2,>=1.13
torch>=2.3
gemmi<0.8,>=0.7
servalcat<0.5,>=0.4
mrcfile>=1.5
pandas<3,>=2.2.2
matplotlib>=3.9
scikit-learn>=1.7
pwlf>=2.2
tqdm>=4.66
pyfiglet>=1.0
loguru>=0.7

[mpi]
mpi4py>=3.1
openmpi>=5.0

[test]
pytest
pytest-html
