[EPEL-devel] openbabel-3.1* in Rawhide

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=946263 > > On 8/31/21 8:05 PM, Alexander Ploumistos wrote: >> On Tue, Aug 31, 2021 at 6:08 PM Antonio T. sagitter >> <sagitter(a)fedoraproject.org&gt; 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 Okay with debian patch: https://sources.debian.org/src/ghemical/3.0.0-5/debian/patches/openbabel3... I've applied this to Fedora git source. >> gnome-chemistry-utils debian says only a small modification is needed: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=946263#20 >> kalzium >> molsketch >> xdrawchem https://github.com/bryanherger/xdrawchem/pull/17 >> 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/ >> >