[cclib-devel] Problem with Firefly(PCGAMESS)

[Pavel S. <pav...@gm...>]

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