ase==3.22.1
numpy<=1.26.4,>=1.23.5
scipy<=1.12.0,>=1.11.1
spglib<=2.3.1,>=2.0.2

[gpaw]
gpaw<=24.1.0,>=20.1.0

[lammps]
pylammpsmpi==0.2.13
jinja2<=3.1.3,>=2.11.3
pandas<=2.2.0,>=1.5.3

[lammps_phonons]
pylammpsmpi<=0.2.12,>=0.2.1
jinja2<=3.1.3,>=2.11.3
pandas<=2.2.0,>=1.5.3
dynaphopy<=1.17.15,>=1.17.5

[phonopy]
phonopy<=2.21.0,>=2.20.0
seekpath<=2.1.0,>=1.9.0
structuretoolkit<=0.0.21,>=0.0.10

[qe]
pwtools==1.2.3

[tqdm]
tqdm==4.66.2
