[Kalzium] Porting kalzium to external Avogadro

Marcus D. Hanwell marcus at cryos.org
Sun Apr 11 02:20:13 CEST 2010


So I committed some updates to Kalzium to use the external Avogadro. This 
seems to work great here. There is a tiny update I will try to push into 1.0.1 
to make the bond ordering work correctly, other than that I would appreciate 
feedback.

Apologies for the commit message - was half finished and I tapped enter, and 
the commit went through before I could stop it. I was hoping to add in some 
more detail... Thanks to Pino for the initial patch, sorry it took me so long. 
Still working on setting aside more time for KDE.

I certainly want to see Kalzium, and KDE chemistry apps, grow and flourish. 
Please let me know if you spot any issues with the changes I have made.

Marcus

On Friday 12 March 2010 10:44:18 Marcus D. Hanwell wrote:
> Mail server meltdown, so I missed the original post, but Carsten mentioned
> it to me. I have some local patches, the crash is due to some internal
> Avogadro changes as far as I remember. I will try to make a little time
> tomorrow to port Kalzium over, test everything out and confirm everything
> works as it should.
> 
> This ix on my list of things I will get done, I know Kalzium needs some
> love ;-)
> 
> Marcus
> 
> On Thursday 11 March 2010 02:31:19 Benoit Jacob wrote:
> > grrr, i somehow removed the list from the To: field... resending.
> > 
> > 2010/3/11 Benoit Jacob <jacob.benoit.1 at gmail.com>:
> > > Wow, this sounds great, but I could have completely missed it as I
> > > only check my kalzium list folder once in a month...
> > > 
> > > CC'ing Carsten and Marcus to ping them if they missed it.
> > > 
> > > Me, i'm no longer involved in either Kalzium or Avogadro.
> > > 
> > > Crashes when loading plugins is certainly something the avogadro devs
> > > are very used to --- they'll be able to help you. "Avogadro-devel
> > > Devel" <avogadro-devel at lists.sourceforge.net>
> > > 
> > > Cheers,
> > > Benoit
> > > 
> > > 2010/2/20 Pino Toscano <toscano.pino at tiscali.it>:
> > >> Hi people,
> > >> 
> > >> I had a 10-minutes attempt in trying to port Kalzium to the external
> > >> Avogardo (>= 1.0) library as opposed to the internal code copy. The
> > >> almost complete result is the attached patch.
> > >> Notes & caveats:
> > >> - it has been added the cmake search for avogadro
> > >> - it has been explicitly added the cmake search for eigen2
> > >> - it has been removed the cmake search for opengl, which is internally
> > >> used in avogadro but not exposed to the outside world
> > >> - it is apparently not able to find its plugins; I guess this results
> > >> in the crash when selecting the Edit tab in the Molecular editor - I
> > >> will not commit it if I cannot solve the above issue/crash - the
> > >> avogadro copy is still there, to let avogadro people browse eventual
> > >> commits to it which need upstream merging
> > >> 
> > >> Comments welcome!
> > >> 
> > >> --
> > >> Pino Toscano
> 
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