schrodinger / pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.
https://pymol.org/
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The multiple PyMol version on Conda #293

Closed shaoqx closed 1 year ago

shaoqx commented 1 year ago

I found there are at least 3 different pymol namings on Conda which leads to different versions I assume:

I wonder what are the differences between these different versions. When I try these on a Linux machine, I found the pymol-bundle won't successfully install in a new conda environment right now. (Says "Killed" after solving the environment for 1 hour. It used to work for me.) Also pymol gives me the following error when I try installing it in a new conda environment:

UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versionsThe following specifications were found to be incompatible with your system:

  - feature:/linux-64::__glibc==2.17=0
  - feature:|@/linux-64::__glibc==2.17=0
  - pymol -> libgcc-ng[version='>=9.4.0'] -> __glibc[version='>=2.17']

Your installed version is: 2.17

Only pymol-open-source installs smoothly. But I can't find it mentioned anywhere in the document besides searching in Conda.

All the Best, QZ

JarrettSJohnson commented 1 year ago

pymol and pymol-bundle are both Schrodinger-managed and is the Incentive version. pymol-open-source builds from this repository. The former two was updated recently to support Python 3.10. Can you try again with that python version in a new environment?

shaoqx commented 1 year ago

Thank you for the info! It works!