numpy<2.0.0,>=1.26.4
pandas<4.0.0,>=3.0.0
matplotlib<4.0.0,>=3.10.9
ase<4.0.0,>=3.27.0
scipy<2.0.0,>=1.17.0
pyiron-workflow==0.15.6
pyiron-workflow-atomistics==0.0.6
pyiron_vasp==0.2.19
pymatgen<2027.0.0,>=2026.5.4
pyiron_snippets<2.0.0,>=1.2.1
scikit-learn<2.0.0,>=1.8.0
tqdm<5.0.0,>=4.67.3

[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
