Good news! Thank you very much, Asim
From: Matthew Swain Sent: Saturday, November 9, 2019 6:30 PM To: Noel O’Boyle Cc: Asim Alenaizan; Geoffrey Hutchison; openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] Using Openbabel with a New Package 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 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) 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 Sent: Wednesday, October 2, 2019 4:09 PM To: Asem Alenaizan Cc: Geoffrey Hutchison; 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 Sent: Friday, September 27, 2019 4:06 PM To: Geoffrey Hutchison Cc: Noel O'Boyle; 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 Sent: Friday, September 27, 2019 3:09 PM To: Asem Alenaizan Cc: Noel O'Boyle; 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 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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