attrs>=23.1.0
matplotlib>=3.9.0
numpy>=2.0.2
scipy>=1.13.0

[dev]
stacie[docs,tests]
pre-commit
snipwise<2.0.0a0

[docs]
furo
intersphinx-registry
jupyter
jupyter-cache
jupytext
mdtraj
myst-nb
myst-parser
nglview
numpydoc
openmm>=8.0
packaging
pandas
setuptools_scm
sphinx
sphinx-autobuild
sphinx-autodoc-typehints
sphinx-codeautolink
sphinx-copybutton
sphinx-sitemap
sphinxcontrib-bibtex
sphinxcontrib-svg2pdfconverter
sphinxext-opengraph
stepup<5.0.0a0,>=4.0.0
stepup-reprep<5.0.0a0,>=4.0.0

[tests]
numdifftools>=0.10.1
pytest>=8.2.0
pytest-regtest>=2.1.1
pytest-timeout>=2.3.1
pytest-xdist>=3.6.1
