You're right, i underestimated the issue.Probably, Avogadro is not compatible with openbabel3 but Avogadro2 should be.
I try to keep a separated 'openbabel2' package as new rpm, and then upgrade current 'openbabel' to the release 3+
Thank you. On 8/31/21 8:05 PM, Alexander Ploumistos wrote:
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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