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

[:python_version < "3.10"]
numpy<2,>=1.25.0

[:python_version >= "3.10"]
numpy<3,>=1.25.0

[dev]
pytest
pytest-cov
pytest-rerunfailures
pytest-timeout
pre-commit

[mpi]
mpi4py

[tests]
pytest
pytest-cov
pytest-rerunfailures
pytest-timeout
