ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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Vina environment installation error in Conda "Invalid specifier: '>=3.5.*'" #195

Closed dnago4 closed 1 year ago

dnago4 commented 1 year ago

Hello Been trying to get the 'vina' env set up (Anaconda 2.4.0/Windows10/Ubuntu 20.04 on WSL) per instructions but keep erroring out with the following message:

Version found 1.2.3 (from init.py) error in vina setup command: 'python_requires' must be a string containing valid version specifiers; Invalid specifier: '>=3.5.*'

The executable is fine (can get response with '--version') but can't get the Python package going. In a different package installation I had edited the '>=3.5*' for 'python_requires' to '>=3.5' (multiple scripts) and the installation went fine.

I downloaded the vina-1.2.3-py311hac087fc_2.tar.bz2 archive (that 'pip install' does not process anyway) to try to edit out the offending '>=3.5' but there is no 'setup.py' file, and no occurrence of '>=3.5' in any of the included Python scripts. Apparently, this may not be a fix.

Is there something else I need, or to can be done by editing the archive contents? I wouldn't know how to fix problematic scripts beside mere text editing. Thanks much!

LennartJaretzki commented 1 year ago

I have the same problem with Google Colab, and Mint 20. Two weeks ago it did work, so maybe it is possible to fix it by downgrading.

jiteshdoshi commented 1 year ago

This seems to be related to Python version. For me, it installed easily in Python 3.9 but I got this similar error while trying to install vina on Python 3.10 or 3.11. After I downgraded the python to 3.9, it got installed properly.

diogomart commented 1 year ago

Fixed in 7c8c6d7d4da254e8360490e02a412fbbdd8fdf60