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Bug 303643

Summary: [science overlay] sci-chemistry/mgltools-autodocktools-1.5.4-r1 fails to launch
Product: Gentoo Linux Reporter: urcindalo <urcindalo>
Component: Current packagesAssignee: Default Assignee for New Packages <maintainer-wanted>
Status: RESOLVED WORKSFORME    
Severity: normal CC: jlec, sci-chemistry
Priority: High Keywords: InOverlay
Version: unspecified   
Hardware: All   
OS: Linux   
Whiteboard:
Package list:
Runtime testing required: ---

Description urcindalo 2010-02-05 22:10:53 UTC
I run a laptop and a desktop computer. On my desktop sci-chemistry/mgltools-autodocktools-1.5.4-r1 launches without errors, but on the laptop it fails this way:

===
$ runAdt
Run AutoDockTools from /usr/lib64/python2.6/site-packages/AutoDockTools
Resource file used to customize PMV: /home/ramiro/.mgltools/1.5.4/Pmv/_pmvrc

Warning (from warnings module):
  File "/usr/lib64/python2.6/site-packages/DejaVu/Clip.py", line 98
    self.Ri = glCleanRotMat(self.Ri)
DeprecationWarning: PyArray_FromDims: use PyArray_SimpleNew.
>>>
Warning (from warnings module):
  File "/usr/lib64/python2.6/site-packages/DejaVu/Clip.py", line 98
    self.Ri = glCleanRotMat(self.Ri)
DeprecationWarning: PyArray_FromDimsAndDataAndDescr: use PyArray_NewFromDescr.
>>> Traceback (most recent call last):
  File "/usr/lib64/python2.6/site-packages/AutoDockTools/__init__.py", line 373, in runADT
    title=title, withShell= not interactive, verbose=False)
  File "/usr/lib64/python2.6/site-packages/Pmv/moleculeViewer.py", line 315, in __init__
    verbose=verbose, trapExceptions=trapExceptions)
  File "/usr/lib64/python2.6/site-packages/ViewerFramework/VF.py", line 345, in __init__
    verbose=verbose)
  File "/usr/lib64/python2.6/site-packages/ViewerFramework/VFGUI.py", line 270, in __init__
    cnf = {"addScenarioButton": False})
  File "/usr/lib64/python2.6/site-packages/DejaVu/Viewer.py", line 675, in __init__
    cp = ClippingPlane(self.rootObject, i, self)
  File "/usr/lib64/python2.6/site-packages/DejaVu/Clip.py", line 42, in __init__
    self.id = self.clipPlaneNames[num]
IndexError: list index out of range
hit enter to continue
===

After pressing enter the program quits.

Reproducible: Always
Comment 1 Peter Volkov (RETIRED) gentoo-dev 2010-02-08 07:42:15 UTC
Same problem reported at ubuntu (without resolution):
https://bugs.launchpad.net/ubuntu/+source/mgltools-dejavu/+bug/500453

Also there are two forum threads suggesting that this could be ati drivers issue:

http://n2.nabble.com/adt-does-not-work-IndexError-list-index-out-of-range-td4104094.html
http://mgl.scripps.edu/forum/viewtopic.php?f=11&t=584

urcindalo, could you try and confirm anything that this is ati drivers version? Also I think it's good idea to report this issue upstream.
Comment 2 urcindalo 2010-02-08 08:00:09 UTC
(In reply to comment #1)

> urcindalo, could you try and confirm anything that this is ati drivers version?
> Also I think it's good idea to report this issue upstream.

Yes, I use ati-drivers 9.11 on my laptop, whilst in my desktop computer I have an old nvidia card. Apart from that, the configurations of both computers are almost twins.

By upstream do you mean mgltools or ati? Anyway, I'm going to report the issue in the mgltools thread you kindly indicate.

Thanks very, very much for your help and for the time dedicated to look for the cause of this problem.
Comment 3 Justin Lecher (RETIRED) gentoo-dev 2010-02-08 09:11:51 UTC
I tested it here and it is fine on intel hardware.
Except the fact, that the RDEPs in mgltools-autodocktools are missing many needed ones.
Comment 4 urcindalo 2010-02-08 14:54:56 UTC
Update: I've changed my driver from "fglrx" to "radeon" and now mgltools launch
beautifully.

Thus, I can confirm ati-drivers is the culprit in my case.
Comment 5 Justin Lecher (RETIRED) gentoo-dev 2011-04-12 16:44:41 UTC
Correct driver make it work, closing