ase==3.22.1
atomistics==0.1.27
defusedxml<=0.7.1,>=0.7.0
h5py<=3.11.0,>=3.9.0
matplotlib<=3.8.4,>=3.5.3
mendeleev<=0.15.0,>=0.12.0
mp-api<=0.41.2,>=0.37.0
numpy<=1.26.4,>=1.26.0
pandas<=2.2.2,>=2.0.3
phonopy<=2.22.1,>=2.20.0
pint<=0.23,>=0.18
pyiron_base<=0.8.3,>=0.7.7
pylammpsmpi<=0.2.18,>=0.2.7
scipy<=1.13.0,>=1.11.1
scikit-learn<=1.4.2,>=1.2.1
seekpath<=2.1.0,>=1.9.5
spglib<=2.4.0,>=2.0.2
structuretoolkit<=0.0.22,>=0.0.19
