Re: [cclib-devel] Problem with Firefly(PCGAMESS)

[Adam T. <ate...@gm...>]

Hi Pavel,

I have fixed this bug in the svn trunk version of cclib. Please let me know if you'd prefer me to send you the updated source code.

Take care,

Adam


On Mar 22, 2012, at 9:04 AM, Pavel Solntsev wrote:

> Yes. You can place this log file in the public domain
> 
> PS.
> 
> 
> 
> On 03/22/2012 05:44 AM, Noel O'Boyle wrote:
>> Hello Pavel,
>> 
>> We have a policy of only fixing bugs for public domain log files. Are
>> you happy to place this log file in the public domain?
>> 
>> - Noel
>> 
>> On 22 March 2012 05:12, Pavel Solntsev <pav...@gm...> wrote:
>>> Hi i have a file from Firefly ( pcgamess)i can't parse with cclib. I use
>>> version form svn and QMforge program. In console i got
>>> [GAMESS <path to my file>/triazole_tddft_c1_b3lyp_631Gdp_sp.out WARNING]
>>> MO section found but could not be parsed!
>>> Traceback (most recent call last):
>>> File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", line
>>> 250, in fileOpen
>>> File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", line
>>> 150, in open
>>> File
>>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/logfileparser.py",
>>> line 221, in parse
>>> File
>>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/gamessparser.py",
>>> line 720, in extract
>>>   self.logger.warning('MO section found but could not be parsed!')
>>> File "/usr/lib/python2.7/logging/__init__.py", line 1144, in warning
>>>   self._log(WARNING, msg, args, **kwargs)
>>> File "/usr/lib/python2.7/logging/__init__.py", line 1250, in _log
>>>   self.handle(record)
>>> File "/usr/lib/python2.7/logging/__init__.py", line 1260, in handle
>>>   self.callHandlers(record)
>>> File "/usr/lib/python2.7/logging/__init__.py", line 1300, in callHandlers
>>>   hdlr.handle(record)
>>> TypeError: QWidget.handle(): too many arguments
>>> 
>>> If i run this file with gamess us it goes withput problems. The problem
>>> file for Firefly is attached.
>>> 
>>> Thank you.
>>> 
>>> Pavlo.
>>> 
>>> 
>>> 
>>> --
>>> Pavlo V. Solntsev
>>> pavlo.solntsev at gmail.com
>>> 
>>> 
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> 
> 
> -- 
> Pavlo V. Solntsev
> pavlo.solntsev at gmail.com
> 
> 
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