Michael Banck

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  • Comment: /usr/share/libavogadro/shaders should be API versioned

    We ship those in the main avogadro package for now, but those could be put together, yes. The question is whether having a theroretical libavogadro-1.0 based kalzium and a libavogadro-x.x based development version of avogadro make problems with respect to data files. I hope not, so we will probably do this.

    2009-11-10 18:20:03 UTC in Avogadro

  • Comment: /usr/share/libavogadro/shaders should be API versioned

    Understood, but see the second part of the report, "to make several incompatible versions of libavogadro parallel-installable without file duplicates." I am fine with this getting a wontfix - then Debian/Ubuntu will have to create a libavogadro-data package or something which just ships those shaders.

    2009-11-10 17:55:13 UTC in Avogadro

  • /usr/share/libavogadro/shaders should be API versioned

    It seems the /usr/share/libavogadro/shaders directory belongs to libavogadro; as such, it would be better if it could be versioned similarly to the /usr/lib/avogadro/1_0 directory, to make several incompatible versions of libavogadro parallel-installable without file duplicates. If the shaders should go into avogadro the app instead, that would be a solution as well.

    2009-11-10 17:23:16 UTC in Avogadro

  • Open Babel

    mbanck committed revision 3456 to the Open Babel SVN repository, changing 2 files.

    2009-11-10 10:51:44 UTC in Open Babel

  • Comment: PC Gamess/Firefly outputs

    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

  • Comment: PC GAMESS/Firefly

    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

  • Open Babel

    mbanck committed revision 3453 to the Open Babel SVN repository, changing 2 files.

    2009-10-29 12:00:13 UTC in Open Babel

  • Comment: plugin directory should be versioned

    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

  • plugin directory should be versioned

    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

  • molecule (or parts thereof) disappear intermittedly

    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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