ase<3.30.0,>=3.24.0
flowrep<0.7.0,>=0.6.0
matplotlib<3.12.0,>=3.1.0
numpy<2.6.0,>=1.23.5
pandas<3.1.0,>=1.3.0
pyiron_snippets<2.0.0,>=1.3.0
pyiron_workflow<0.21.0,>=0.19.0
pymatgen<2027.0.0,>=2024.8.8
scipy<1.19.0,>=1.17.1

[analysis]
pyscal3<4.2.0,>=4.1.0
scikit-learn<1.10.0,>=1.0.0
structuretoolkit==0.0.48

[free-energy]
calphy>=1.5.6
pyiron_workflow_lammps

[gb]
lz-GB-code==0.1.0
tqdm<4.71.0,>=4.68.0

[phonons]
phonopy
phono3py
symfc

[phonons-md]
phonopy
phono3py
symfc
dynaphopy

[test]
pytest
nbformat
nbclient
