attrs>=24.1.0
cattrs>=24.1.0
matplotlib>=3.9.0
numpy>=2.0.0
scipy>=1.13.0

[:python_version < "3.11"]
typing-extensions>=4.8.0

[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-tippy
sphinxcontrib-bibtex
sphinxcontrib-svg2pdfconverter
stepup>=3.1.2
stepup-reprep>=3.1.5

[tests]
pytest
pytest-regtest
pytest-xdist
numdifftools
