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Bug 409971

Summary: sci-chemistry/pymol-1.5.0.3: incorrect location of the chempy scripts directory
Product: Gentoo Linux Reporter: urcindalo <urcindalo>
Component: Current packagesAssignee: Justin Lecher (RETIRED) <jlec>
Status: RESOLVED FIXED    
Severity: normal    
Priority: Normal    
Version: unspecified   
Hardware: All   
OS: Linux   
Whiteboard:
Package list:
Runtime testing required: ---

Description urcindalo 2012-03-28 09:20:47 UTC
When trying to perform a mutagenesis in PyMOL 1.5.0.3 (probably on every 1.5 version, I didn't test), pymol can't find the chempy script:

===
Traceback (most recent call last):
  File "/usr/lib64/python2.7/site-packages/pymol/parser.py", line 254, in parse
    self.result=apply(layer.kw[0],layer.args,layer.kw_args)
  File "/usr/lib64/python2.7/site-packages/pymol/wizarding.py", line 86, in wizard
    r = _wizard(name,arg,kwd,0,_self=_self)
  File "/usr/lib64/python2.7/site-packages/pymol/wizarding.py", line 45, in _wizard
    wiz = apply(getattr(mod_obj,oname),arg,kwd)
  File "/usr/lib64/python2.7/site-packages/pymol/wizard/mutagenesis.py", line 56, in __init__
    "/chempy/sidechains/sc_bb_ind.pkl")
  File "/usr/lib64/python2.7/site-packages/chempy/pkl.py", line 23, in fromFile
    fp = self.my_open(fname,'rb')
  File "/usr/lib64/python2.7/site-packages/chempy/__init__.py", line 173, in my_open
    return open(fname,mode)
IOError: [Errno 2] No such file or directory: '//usr/lib64/python2.7/site-packages/pymol/chempy/sidechains/sc_bb_ind.pkl'
===

On my system the file is located at
/usr/share/pymol/data/chempy/sidechains/sc_bb_ind.pkl

NOT
/usr/lib64/python2.7/site-packages/pymol/chempy/sidechains/sc_bb_ind.pkl
Comment 1 Justin Lecher (RETIRED) gentoo-dev 2012-03-28 09:23:53 UTC
Booo, why can't things just work? I will look into that.
Comment 2 Justin Lecher (RETIRED) gentoo-dev 2012-03-28 12:34:58 UTC
+*pymol-1.5.0.3-r1 (28 Mar 2012)
+
+  28 Mar 2012; Justin Lecher <jlec@gentoo.org>
+  files/pymol-1.5.0.1-data-path.patch, +pymol-1.5.0.3-r1.ebuild:
+  Add missing wrong usage of PYMOL_PATH, #409971
+