I haven’t done anything so far but I’ll contribute in the near future when
I’ll port kalzium to libavo:
- i’ll fix a few issues with the way libavo reuses the kalzium code (esp.
regarding display lists, a big optimization is missing)
- if you like it, i’ll move to libavo some stuff i currently do in
kalzium, like automatic orientation of the molecule and of double bonds.
Something I already discussed with Donald:
I’ve discussed with other KDE developers and on kde-devel the dependency
issues associated with having kalzium rely on libavo which itself relies
on eigen (which is in kde’s svn). From the point of view of KDE, the best
thing would be if libavogadro was developed in KDE’s SVN, in
/trunk/kdesupport. This is where Eigen already is, this directory is for
libraries who are also used by non-KDE projects.
As to the Avogadro app, it could stay in sourceforge, no need to have it
at the same place as libavogadro. But if you ever want to make it a KDE
application (KDE4 will support Windows and MacOSX natively without a X
server), it’s of course welcome in extragear or in playground depending on
On Fri, 2 Feb 2007, Geoffrey Hutchison wrote:
First off, thanks very much to Donald for some great progress! I
apologize I haven’t been very active, but have been traveling for
various interviews. (Hopefully my travel schedule should be better
now that I have offers to consider.)
Donald and I are going to try some packaging for Windows and Mac for
demonstrating the potential of Avogadro and libavogadro.
I should remind everyone that we do have a wiki for communication, in
addition to the mailing list. I’m going to update the TODO list with
current progress (and problems) and hope others will too.
In particular, I think there are a few general pieces we should still
consider while we’re in the design phase and can make these changes
without re-implementing a huge amount of code again:
Multiple molecule files. Right now we only handle the first
molecule in a file.
Animation (e.g., multiple coordinate sets). Right now, Open Babel
has support in OBMol for multiple conformers/coordinates – this
mainly requires a UI update (an animation tool?)
Undo/redo support. Basically, we’d need to address changes to the
document with subclasses of QUndoCommand:
I think we’re doing great, and hope I can help more in the near future!
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