# Install the OneScience bio environment first with:
#   bash /path/to/onescience/install.sh bio
#
# OneScience provides the DTK-compatible PyTorch, JAX/JAXlib ROCm plugin,
# TensorFlow, NumPy, SciPy, Biopython, dm-haiku, dm-tree, ml-collections,
# ml-dtypes and absl-py packages. Do not reinstall or downgrade them here.

# Original standalone compatibility pins, retained for reference only.
# In the OneScience bio environment these are supplied by platform-adapted
# packages (for example, DTK JAX/JAXlib 0.4.34), so they must stay commented:
# numpy==1.26.4
# scipy==1.11.4
# biopython==1.81
# jax==0.4.20
# jaxlib==0.4.20
# ml-dtypes==0.2.0
# dm-haiku==0.0.11
# dm-tree==0.1.8
# ml-collections==0.1.1
# tensorflow-cpu==2.15.0
# absl-py

# Additional dependencies required by dl_binder_design:
mock
immutabledict==2.2.5

# PyRosetta is licensed for academic/non-commercial use under its own terms.
--find-links https://west.rosettacommons.org/pyrosetta/quarterly/release
pyrosetta