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Bug 698642 - sci-chemistry/avogadro2-1.90.0_p20180211 - avogadro2: ModuleNotFoundError: No module named 'cclib'
Summary: sci-chemistry/avogadro2-1.90.0_p20180211 - avogadro2: ModuleNotFoundError: No...
Status: UNCONFIRMED
Alias: None
Product: Gentoo Linux
Classification: Unclassified
Component: Current packages (show other bugs)
Hardware: AMD64 Linux
: Normal normal (vote)
Assignee: Gentoo Chemistry-Related Packages
URL: https://github.com/cclib/cclib
Whiteboard:
Keywords:
Depends on:
Blocks:
 
Reported: 2019-10-27 10:18 UTC by Petr F. Kartsev
Modified: 2019-10-27 10:41 UTC (History)
0 users

See Also:
Package list:
Runtime testing required: ---


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Description Petr F. Kartsev 2019-10-27 10:18:49 UTC
Hi, avogadro2 gives error message (while working though)

....
Checking for generator scripts in "/usr/local/share/OpenChemistry/Avogadro/dev/inputGenerators"
Checking for generator scripts in "/usr/share/OpenChemistry/Avogadro/dev/inputGenerators"
Checking for file format scripts in "/usr/bin/../lib64/avogadro2/scripts/formatScripts"
Error retrieving metadata for file format script: "/usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py" 
 ("Error running script '/usr/bin/python /usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py --metadata': Abnormal exit status 1 (Unknown error.: Unknown error)\n\nOutput:\nTraceback (most recent call last):\n  File \"/usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py\", line 22, in <module>\n    from cclib.io.ccio import ccopen\nModuleNotFoundError: No module named 'cclib'\n")

(https://cclib.github.io/: 
cclib is an open source library, written in Python, for parsing 
and interpreting the results of computational chemistry packages)

But it is not present in portage and not sure if we could use pip to install outside python packages.

Reproducible: Always

Steps to Reproduce:
1. emerge avogadro2
2. start terminal (e.g. Konsole)
3. run avogadro2
4. see text output in terminal
Actual Results:  
Error retrieving metadata for file format script: "/usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py" 
 ("Error running script '/usr/bin/python /usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py --metadata': Abnormal exit status 1 (Unknown error.: Unknown error)\n\nOutput:\nTraceback (most recent call last):\n  File \"/usr/lib64/avogadro2/scripts/formatScripts/cclibScript.py\", line 22, in <module>\n    from cclib.io.ccio import ccopen\nModuleNotFoundError: No module named 'cclib'\n")

Expected Results:  
something without error messages

Not sure which one:
1. not need cclib at all?
2. using USE flag for switching cclib on or off?
3. have documentation about requirement of cclib
4. ask corresponding maintainers to add cclib python package into portage?

I can add more information if needed - sorry for inconsistencies, this is my first bug report!