ase<3.30.0,>=3.24.0
flowrep<0.7.0,>=0.6.0
lammpsparser<0.1.0,>=0.0.7
numpy<2.6.0,>=1.26.4
pyiron_snippets<2.0.0,>=1.3.0
pyiron-workflow<0.21.0,>=0.19.0
pyiron-workflow-atomistics<0.4.0,>=0.2.2
pymatgen<2027.0.0,>=2024.8.8

[dev]
pytest>=6.0
pytest-cov>=2.0
black>=22.0
isort>=5.0
ruff>=0.5

[notebook]
jupyter>=1.0.0
notebook>=6.0.0

[test]
pytest>=6.0
pytest-cov>=2.0
