[ghemical-devel] new releases

[Geoff Hutchison]

On Jul 1, 2005, at 3:04 PM, Tommi Hassinen wrote:

> today I (finally) made releases of mopac7-1.00 and libghemical-1.90
> packages, as well as 1.02 1.51 and 1.90 versions of ghemical. Here  
> are the
> versions and dependencies:

Great! Lots of good news. :-)

> ghemical-1.90 is the latest and greatest HEAD release ; a gtk2 app.
>     -> needs libghemical-1.90
>     -> optionally needs mopac7-1.00
>     -> optionally needs openbabel-1.100.2
>     -> optionally needs mpqc

I'm going to start work on the HEAD then and get openbabel-2.0  
support integrated. There are quite a few changes with the way file  
format conversion is handled -- including dynamic loading/unloading  
of translator modules. And of course lots of bug fixes and other new  
code. :-)

> - g++ spits out many warning during compilation, because the  
> obsolete way
> of using the stringstream classes is not yet fixed. This will take  
> some
> time because every change must be made individually...

No, I can help with that. I have a script that can update things  
quickly if you like. I've had to do this frequently with OB. :-)

I'll take a look at the HEAD for everything and see what I get.

Cheers,
-Geoff