attrs>=25.3.0
cattrs>=25.1.1
matplotlib>=3.10.3
numpy>=2.3.1
scipy>=1.16.0

[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-cov
pytest-regtest
pytest-xdist
numdifftools
