Cython>=0.24
numpy>=2.3.0
tables>=3.2
matplotlib>=1.5.1
mdtraj>=1.7
psutil>=5.2.2
pandas
scikit-learn>=0.23.2
scipy>=0.17
pyyaml

[dev]
pytest

[docs]
Sphinx>=2.3.0
sphinx-rtd-theme>=0.4.3
sphinxcontrib-websupport>=1.1.2
numpydoc>=0.9.1

[mpi]
mpi4py>=2.0.0
