numpy>=1.16.0
scipy>=0.19.1
h5py>=2.10
mdtraj>=1.9.5
pyyaml
pyzmq
matplotlib
blessings
ipykernel
tqdm
pandas
tables

[dev]
pytest
pytest-cov
nose
pre-commit

[mpi]
mpi4py

[tests]
pytest
pytest-cov
nose
