ase>=3.23.0
numpy>=1.22
scipy>=1.8

[alchemi]
nvalchemi-toolkit[mace]<0.3,>=0.2.0

[mace]
mace-torch>=0.3.9

[mpi]
mpi4py>=4.0

[plot]
matplotlib>=3.5

[test]
pytest>=7.0
pytest-cov>=4.0
mcpy-gcmc[plot]
