People are working on it (see 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> 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> > 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 <baoille...@gmail.com> >> *Sent: *Wednesday, October 2, 2019 4:09 PM >> *To: *Asem Alenaizan <alenaiz...@gmail.com> >> *Cc: *Geoffrey Hutchison <geoff.hutchi...@gmail.com>; >> 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> 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> >> 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 <alenaiz...@gmail.com> >> *Sent: *Friday, September 27, 2019 4:06 PM >> *To: *Geoffrey Hutchison <geoff.hutchi...@gmail.com> >> *Cc: *Noel O'Boyle <baoille...@gmail.com>; >> 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 <geoff.hutchi...@gmail.com> >> *Sent: *Friday, September 27, 2019 3:09 PM >> *To: *Asem Alenaizan <alenaiz...@gmail.com> >> *Cc: *Noel O'Boyle <baoille...@gmail.com>; >> 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 >> >> >> >> Hope that helps, >> >> -Geoff >> >> >> >> >> >> >> >
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