[Kalzium] Porting kalzium to external Avogadro

Pino Toscano toscano.pino at tiscali.it
Tue Apr 13 19:04:46 CEST 2010


Hi,

Alle domenica 11 aprile 2010, Marcus D. Hanwell ha scritto:
> 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.

Thanks!

I just have two issues:
- no plugins detected: I "workaround" by "export 
AVOGADRO_PLUGINS=/usr/lib/avogadro/1_0", but the avogadro application 
compiled from the same source (the Debian packages I use) works without 
it, and it seems it does not do any custom loading...
- crash at destruction phase of the GL widget, see the attached reduced 
backtrace; unfortunately, it doesn't say much without the avogadro debug 
symbols

Do you have an idea about those?

> 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.

No problem, the important part was there :)

> 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.

I applied few changes related to the opengl detection/usage (no more 
needed) and added few more checks for avogadro, so it builds correctly 
(confirmed by other people on IRC) also without it.


-- 
Pino Toscano
-------------- next part --------------
#0  sem_wait () at ../nptl/sysdeps/unix/sysv/linux/x86_64/sem_wait.S:41
#1  0x00007ffff20f9878 in PyThread_acquire_lock () from /usr/lib/libpython2.5.so.1.0
#2  0x00007ffff20efbcf in PyThreadState_New () from /usr/lib/libpython2.5.so.1.0
#3  0x00007ffff20efc6c in PyGILState_Ensure () from /usr/lib/libpython2.5.so.1.0
#4  0x00007ffff6052b58 in Avogadro::GLWidget::~GLWidget() () from /usr/lib/libavogadro.so.1
#5  0x0000000000462fd0 in ~KalziumGLWidget (this=0x11b9fa0, __in_chrg=<value optimized out>)
    at kdeedu/kalzium/compoundviewer/kalziumglwidget.cpp:56
#6  0x00007ffff2bd58c2 in QObjectPrivate::deleteChildren (this=0x10cfb90) at kernel/qobject.cpp:1978
#7  0x00007ffff3789bcf in ~QWidget (this=0x10cc3b0, __in_chrg=<value optimized out>) at kernel/qwidget.cpp:1476
#8  0x00007ffff2bd58c2 in QObjectPrivate::deleteChildren (this=0x10cea00) at kernel/qobject.cpp:1978
#9  0x00007ffff3788f6f in ~QWidget (this=0x10cc180, __in_chrg=<value optimized out>) at kernel/qwidget.cpp:1476
#10 0x00007ffff3d88ca6 in ~QDialog (this=0x10cc180, __in_chrg=<value optimized out>) at dialogs/qdialog.cpp:327
#11 0x00007ffff18552aa in ~KDialog (this=0x10cc180, __in_chrg=<value optimized out>) at kdelibs/kdeui/dialogs/kdialog.cpp:197
[...]
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