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kalininalab / alphafold_non_docker

AlphaFold2 non-docker setup
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jax update #31

Closed nick-youngblut closed 2 years ago

nick-youngblut commented 2 years ago

Updating jax via:

pip install --upgrade jax jaxlib==0.1.69+cuda111 -f https://storage.googleapis.com/jax-releases/jax_releases.html

results is jax being upgraded to 0.2.26:

Collecting contextlib2
  Using cached contextlib2-21.6.0-py2.py3-none-any.whl (13 kB)
Collecting PyYAML
  Using cached PyYAML-6.0-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_12_x86_64.manylinux2010_x86_64.whl (701 kB)
Installing collected packages: PyYAML, contextlib2, ml-collections, jax
  Attempting uninstall: jax
    Found existing installation: jax 0.2.26
    Uninstalling jax-0.2.26:
      Successfully uninstalled jax-0.2.26
Successfully installed PyYAML-6.0 contextlib2-21.6.0 jax-0.2.14 ml-collections-0.1.0

...which causes the following error:

ValueError: jaxlib is version 0.1.69, but this version of jax requires version 0.1.74.

If jax must stay jax==0.2.14 (or at least < 0.2.26), then it appears that one must run pip install jax==0.2.14 after running pip install --upgrade jax

sanjaysrikakulam commented 2 years ago

Hi @nick-youngblut

Thank you for reporting. I have updated the readme for the new release, hope it is fixed now as I could not reproduce the error while setting up a new conda env.