Conda packages for Windows (and also Python 3.8) are now available on conda-forge! Thanks to Fredrik for sorting it out. https://github.com/conda-forge/openbabel-feedstock/pull/4 <https://github.com/conda-forge/openbabel-feedstock/pull/4>
> On 4 Nov 2019, at 21:07, Noel O'Boyle <baoille...@gmail.com> wrote: > > People are working on it (see > https://github.com/conda-forge/openbabel-feedstock > <https://github.com/conda-forge/openbabel-feedstock>) but there are some > problems, as far as I understand. > > On Mon, 14 Oct 2019 at 16:17, Asim Alenaizan <alenaiz...@gmail.com > <mailto:alenaiz...@gmail.com>> wrote: > I see that Openbabel 3.0.0 has been released. Can I request that a windows > conda package is added to the conda-forge channel in addition to the linux > and mac packages available there? > > Thanks, > Asim > > On Wed, Oct 2, 2019 at 4:59 PM Asem Alenaizan <alenaiz...@gmail.com > <mailto:alenaiz...@gmail.com>> wrote: > Excellent! This seems to work. > > > A second point is that I still need to set BABEL_DATADIR to the correct path > when I use the conda package in Windows, unlike in Linux and Mac. This is a > minor issue but It would be convenient if users do not need to mess with > environment variables. > > > > Thanks for your help, > > Asim > > > > From: Noel O'Boyle <mailto:baoille...@gmail.com> > Sent: Wednesday, October 2, 2019 4:09 PM > To: Asem Alenaizan <mailto:alenaiz...@gmail.com> > Cc: Geoffrey Hutchison <mailto:geoff.hutchi...@gmail.com>; > openbabel-discuss@lists.sourceforge.net > <mailto:openbabel-discuss@lists.sourceforge.net> > Subject: Re: [Open Babel] Using Openbabel with a New Package > > > > It took me a little while to figure it out, but try adding the following to > your CMake file: > > add_definitions(-DUSING_DYNAMIC_LIBS) > > > > On Wed, 2 Oct 2019 at 12:34, Noel O'Boyle <baoille...@gmail.com > <mailto:baoille...@gmail.com>> wrote: > > I will try and get some time to look at this. My only thought at the moment > is that the Windows build has its own babelconfig.h; I forget the details at > the moment, but you need to include that instead of the 'default' one. > > > > - Noel > > > > On Sun, 29 Sep 2019 at 19:51, Asem Alenaizan <alenaiz...@gmail.com > <mailto:alenaiz...@gmail.com>> wrote: > > It seems the problem is not related to the conda package. Even when I compile > openbabel myself and link to it, and compile my program with the same > compiler, I still fail to find the force field. Is there a reason that this > is the case? This is specific to windows. I did not find this issue for Linux > and Mac. > > > Asim > > > > From: Asem Alenaizan <mailto:alenaiz...@gmail.com> > Sent: Friday, September 27, 2019 4:06 PM > To: Geoffrey Hutchison <mailto:geoff.hutchi...@gmail.com> > Cc: Noel O'Boyle <mailto:baoille...@gmail.com>; > openbabel-discuss@lists.sourceforge.net > <mailto:openbabel-discuss@lists.sourceforge.net> > Subject: RE: [Open Babel] Using Openbabel with a New Package > > > Setting BABEL_LIBDIR does not fix the problem. > > > Asim > > > > From: Geoffrey Hutchison <mailto:geoff.hutchi...@gmail.com> > Sent: Friday, September 27, 2019 3:09 PM > To: Asem Alenaizan <mailto:alenaiz...@gmail.com> > Cc: Noel O'Boyle <mailto:baoille...@gmail.com>; > openbabel-discuss@lists.sourceforge.net > <mailto:openbabel-discuss@lists.sourceforge.net> > Subject: Re: [Open Babel] Using Openbabel with a New Package > > > The program can be compiled and linked correctly against openbabel, but I > cannot find the force field. > > > Noel's question is whether you can use the standard command-line tools and > convert files: > > > obabel -L forcefields > > obabel -:CCCC -omol --gen3d > > > Finding the plugins is done using the BABEL_LIBDIR environment variable: > > https://openbabel.org/docs/dev/Installation/install.html > <https://openbabel.org/docs/dev/Installation/install.html> > > Hope that helps, > > -Geoff > > > > > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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