ase<3.30.0,>=3.21.0
flowrep<0.7.0,>=0.6.0
monty<2027.0.0,>=2024.7.30
numpy<2.6.0,>=1.22.0
pandas<3.1.0,>=1.3.0
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
scipy<1.19.0,>=1.17.1
vaspparser<0.1.0,>=0.0.9

[dev]
pytest>=6.0
pytest-cov>=2.0
black>=22.0
isort>=5.0
flake8>=4.0
ruff>=0.5

[notebook]
jupyter>=1.0.0
notebook>=6.0.0

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