aiida-core<3,>=2.3
numpy>=1.21
pymatgen<2026,>=2024.1
ase>=3.22
xraylarch>=0.9.80
h5py>=3.0
md-exafs<0.4,>=0.3.0

[docs]
sphinx>=5
sphinx-rtd-theme

[plots]
matplotlib>=3.6

[pre-commit]
pre-commit>=3.0
ruff>=0.6.0
mypy>=1.10

[testing]
pytest>=7.0
pytest-cov
coveralls
