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[cclib-devel] [ cclib-Bugs-3077163 ] failed to parse orca 2.8.0 output
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From: SourceForge.net <no...@so...> - 2010-12-31 19:00:40
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Bugs item #3077163, was opened at 2010-09-28 11:54 Message generated for change (Comment added) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=819222&aid=3077163&group_id=161285 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Parsers Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: mretegan () Assigned to: Nobody/Anonymous (nobody) Summary: failed to parse orca 2.8.0 output Initial Comment: Traceback (most recent call last): File "co.py", line 3, in <module> data = file.parse() File "/usr/lib/python2.6/site-packages/cclib/parser/logfileparser.py", line 142, in parse self.extract(inputfile, line) File "/usr/lib/python2.6/site-packages/cclib/parser/orcaparser.py", line 127, in extract assert line[:29].strip() == "Last DIIS Error" AssertionError ---------------------------------------------------------------------- >Comment By: Noel O'Boyle (baoilleach) Date: 2010-12-31 19:00 Message: Whoops, I forgot all about this bug. We welcome any help we can get. Just send an email to the developers mailing list with the patch. We'll review it, and get you set up to go. ---------------------------------------------------------------------- Comment By: Ben Stein () Date: 2010-12-31 18:23 Message: I think I've found the problem (it happens when orca switches to a non-DIIS converger). I've fixed orcaparser.py, but I'm not really sure of the proper way to contribute a patch. I use orca and cclib regularly, I'd be happy to keep the parser up to date if the project is short-handed. ---------------------------------------------------------------------- Comment By: mretegan () Date: 2010-09-28 12:01 Message: Yes. ---------------------------------------------------------------------- Comment By: Noel O'Boyle (baoilleach) Date: 2010-09-28 11:55 Message: Can you confirm that this log file is in the public domain? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=819222&aid=3077163&group_id=161285 |
