@fedora These are some information for upgrading to openbabel3. @epel7It's also opened a bugzilla ticket (#1628243) for building openbabel-2.4.1 on epel7
Are we definitely interested? Links of Copr projects to get srpms for testing:openbabel3-3.1.1: https://copr.fedorainfracloud.org/coprs/sagitter/Openbabel-3/
openbabel2-2.4.1: https://copr.fedorainfracloud.org/coprs/sagitter/ForTesting/
On 9/1/21 10:35 AM, Mamoru TASAKA wrote:
Antonio T. sagitter wrote on 2021/09/01 16:58: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.There is useful information on debian: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=946263On 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 ghemicalOkay with debian patch:https://sources.debian.org/src/ghemical/3.0.0-5/debian/patches/openbabel3.patch/I've applied this to Fedora git source.gnome-chemistry-utilsdebian says only a small modification is needed: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=946263#20kalzium molsketchxdrawchemhttps://github.com/bryanherger/xdrawchem/pull/17Run-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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