Re: openbabel-3.1* in Rawhide

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On Tue, Aug 31, 2021 at 6:08 PM Antonio T. sagitter
<sagitter@xxxxxxxxxxxxxxxxx> wrote:
>
> On 8/31/21 5:27 PM, Alexander Ploumistos wrote:
> >
>
> We must decide if go forward with most recent software or stay stationary.
> Which software are not ready for openbabel-3 yet?

Almost two years ago (how time flies!), when the subject had been
first broached, Dominik provided this list:

Link-time dependencies:
IQmol
avogadro
ghemical
gnome-chemistry-utils
kalzium
molsketch
xdrawchem

Run-time dependencies:
avogadro2
chemtool
molsketch


At the time, I think only Molsketch was compatible with Open Babel 3.
After getting version 3.1.1 to build[1], I spent a few weekends trying
to modify gnome-chemistry-utils, but due to lack of time I didn't go
very far and looking at the code in my files, I'm not really sure what
I've actually done, I don't remember much. Personally, I use avogadro*
a lot, which you maintain (and therefore I don't worry about it ;) )
and GChemCalc (almost daily) and sometimes GSpectrum from g-c-u,
neither of which is indispensable, though both are quite handy. I
haven't checked any of the other programs on that list recently, but
about a year ago, not much had changed.


> I can leave to you an openbabel-3 srpm or Copr builds of it for your tests.
>
> One week is a minimal time, no problem if you need more time.
>

As far as I can tell, Molsketch will use whichever version of Open
Babel is installed on the system and users of a couple of other
distros have been building it against v3 without any problems, so I
don't expect any either. Just please let me know when you've built it
in Rawhide and I'll do the rebuild then - hopefully the new version
will also be out by that time.


Best regards,
A.


1. https://copr.fedorainfracloud.org/coprs/alexpl/openbabel/builds/
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