[ghemical-devel] ghemical/libghemical works again, +some improvements

Tommi Hassinen thassine@messi.uku.fi
Thu, 23 Jan 2003 16:25:22 +0200 (WET)


On Thu, 23 Jan 2003, Michael Banck wrote:

> > install libghemical and then ghemical (logically :) ; the configure script
> > of ghemical is so far unable to find libghemical files and it is assumed
> > that they were installed with prefix=/usr/local (the default one).
>
> Outch. This should be fixed ASAP, methinks. I'll take a look at it later
> on.

Thanks!

At the moment the configuration system is as simple as it can be; for
libghemical I mostly just duplicated the configuration files so now there
are too strict tests for the library (it expects that gtk+/gnome/glade is
installed etc..).

The library should, if I remember correctly, know if the glut libraries
are present (see src/typedef.h) but it doesn't need any GUI-stuff. Now
also the way how the mopac .o files are included to the library is quite
crude; I guess there is a better way for that. What comes to MPQC libs,
I'm not sure if those should be kept separate form the library and only
link them to the final executable, or should they be included to the
library somehow.

> Still, having ghemical as a library sure rocks :)

Yep, it's good if the code is re-usable. BTW, have you seen this?

	http://www.fsatom.org/

But I have to confess that the primary motivation for the split was that
the program is nowadays quite big and it's (I know it already now :) a lot
more convenient to work with the lib and app separately!

Regards,

	Tommi