Re: ChemmineOB is using private interface of openbabel (rand.h)
Hi Kevin,
thanks a lot for this quick response. For the moment ChemmineOB is only
needed as Test-Dependency for ChemmineR and for the time beeing we could
live without running the test suite. But its good to know that there
will be a solution in the future.
Kind regards
Andreas.
On Mon, Mar 30, 2020 at 08:30:27AM -0700, Kevin Horan wrote:
>
> There is now available a version of ChemmineOB that has been compiled
> with OpenBabel 3.0.0 and R devel (next 4.0.0). Since we didn't want to force
> people to upgrade OpenBabel right away, we are not releasing this version in
> the next BioConductor release. Instead, we will deploy it into development
> after this April release. That will give people 6 months to upgrade
> OpenBabel before 3.0 becomes a requirement for ChemmineOB.
>
> I have created a release on Github though for anyone who wants this
> version right now. You can find it here:
> https://github.com/girke-lab/ChemmineOB/releases/tag/1.25.1
>
>
> Kevin
>
>
> On 3/27/20 8:28 AM, Thomas Girke wrote:
> > Dear Andreas and Dirk,
> >
> > Thanks for reporting this issue. I am CC'ing Kevin Horan on this email.
> > He has been working on quite a few updates for ChemmineOB including
> > support for OpenBabel 3.
> >
> > Kevin: could you please let Andreas and Dirk know...
> >
> > Thanks,
> >
> > Thomas
> >
> > On Fri, Mar 27, 2020 at 6:44 AM Andreas Tille <tille@debian.org
> > <mailto:tille@debian.org>> wrote:
> >
> > Hi Dirk,
> >
> > On Fri, Mar 27, 2020 at 07:16:29AM -0500, Dirk Eddelbuettel wrote:
> > >
> > > I ran into that a few days ago. The version of ChemnineOB that
> > is on the repo
> > > requires OpenBabel 2, we have version 3. See
> > > https://github.com/girke-lab/ChemmineOB/issues/21
> > > A new version should be forthcoming.
> >
> > Thanks a lot for the very helpful information
> >
> > Andreas.
> >
> > -- http://fam-tille.de
> >
> >
> >
> > --
> > Thomas Girke, Ph.D.
> > Professor of Bioinformatics
> > 1207F Genomics Building
> > University of California
> > Riverside, CA 92521
> >
> > E-mail: thomas.girke@ucr.edu <mailto:thomas.girke@ucr.edu>
> > URL: https://girke.bioinformatics.ucr.edu
> > Phone/Cell/Text: 951-732-7072
> > Fax: 951-827-4437
--
http://fam-tille.de
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