numpy>=1.21
scipy>=1.7
peewee<4.0,>=3.16
pyyaml>=6.0.1
qcelemental>=0.27
pydantic<3.0,>=2.7
networkx<4.0,>=3.1
lru-dict>=1.3
xarray>=2024.6

[build]
build
twine

[dev]
ruff
esbonio
sphinx-autobuild
licenseheaders

[docs]
sphinx
sphinx-autodoc-typehints
sphinxcontrib-katex
furo

[test]
pytest
licenseheaders
ruff
