MDAnalysis>=2.7
configobj>=5.0
h5py>=3.10
matplotlib>=3.8
networkx>=3.2
numpy>=1.26
periodictable>=1.7
psutil>=5.9
pyarrow>=14.0
pyfiglet>=1.0
pyjokes>=0.7
rdkit>=2024.03.1
rich>=13.0
rich-argparse>=1.4
scipy>=1.11
typing_extensions>=4.0

[dev]
pytest>=8.0
MDAnalysisTests>=2.7

[docs]
sphinx>=7.0
sphinx-rtd-theme>=2.0
myst-parser>=2.0

[mpi]
mpi4py>=3.1
