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Thanks a lot for your patch.
As a general guideline, it is best to send patches in unidiff format using the -u option and reverse the files, so that the original version is the first argument and the modified version is the second argument as in
diff -u outformat.cpp.old outformat.cpp
No need to resubmit your patch, it is perfectly readable as is and I have committed it on trunk as...
2009-10-29 12:02:15 UTC in Open Babel
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I have applied the Patch from #2888693 on trunk which should address this. Please let us know if further changes are needed.
2009-10-29 12:01:21 UTC in Open Babel
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mbanck committed revision 3453 to the Open Babel SVN repository, changing 2 files.
2009-10-29 12:00:13 UTC in Open Babel
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Just keeping book of the plugins will not help; incompatible library versions are supposed to be installed alongside on GNU/Linux systems. Consider for example a system where KDE4.x is installed including Kalzium, which uses libavogadro-1.0.2. However, Avogadro development has continued, and the latest Avogadro version (say, 2.2) should be installed as well. Now you have the situation that...
2009-10-21 09:17:11 UTC in Avogadro
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As far as I can tell, the extensions/engines/tools belong to the library rather than to the application (i.e., they should be usable in principle from 3rd party software as well). However, the directory they currently get installed to (/usr/lib/avogadro) is not versioned; so if one has two non-compatible versions of libavogadro, the plugins for the old version might make trouble with the new...
2009-10-20 23:42:08 UTC in Avogadro
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This is not really reliably reproducable, but happens frequently:
The displayed molecule disappears completely, or maybe only the atoms/bonds and/or surfaces.
This seems to happen more frequently if "Display unit cell axis" is active and while I have the vibration extension open and switch between different vibrations.
It is /very/ frequent (and seemingly independent of the unit cell...
2009-10-20 16:57:02 UTC in Avogadro
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A stop-gap measure might be to make sure "Display unit cell axes" is turned off after loading a new molecule. This really makes it very unpleasant to display Gaussian calculation results (not sure in which cases a unit cell axis is supposed to be drawn or not)
2009-10-20 16:52:01 UTC in Avogadro
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If I open a specific molecule via the command-line (like "avogadro testfiles/methane.g03"), a second, blank, avogadro window (with "untitled.cml" as title) is opened.
2009-10-20 16:45:01 UTC in Avogadro
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a-ha.
It was an outdated version (1.1) of python-numpy; upgrading that to the version in unstable (1.3) makes both avogadro startup fine with python scripts around (and runs them without isseus) and the python console function properly. I will add a versioned Depends on it.
2009-10-20 16:39:33 UTC in Avogadro
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Well, if I install python-avogadro, any python script below /usr/share/libavogadro/*Scripts will make avogadro segfault on startup.
Same for using the python console; writing random characters in it and hitting enter will kill avogadro.
Not really sure how to debug this; this is avogadro-0.9.9.
2009-10-20 16:32:10 UTC in Avogadro
