Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Asem Alenaizan
I found in the conda-forge meta.yaml file these entries in the build section: “ - vs2015_runtime 14.0.25420 0 - vs2015_win-64 14.0.25123 h17c34da_3” And these in the host section: “- vc 14 0 - vs2015_runtime 14.0.25420 0” Additionally, in conda_build_config.yaml: “c_c

Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Noel O'Boyle
Have you tried copying the various DLLs and obf files into the same folder as your own program? Or checking the PATH to see whether you have a version of OB installed that is interfering? On Fri, 27 Sep 2019, 19:08 Asem Alenaizan, wrote: > I found in the conda-forge meta.yaml file these entries

Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Geoffrey Hutchison
> 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 -: -omol --gen3d Finding the plugins is done using the BABEL_LIB

Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Asem Alenaizan
Yes, the command line, including using the force fields, works when I set the BABEL_DATADIR variable. The problem is that even when I set the BABEL_DATADIR, my C++ code does not find the force fields. Asim From: Geoffrey Hutchison Sent: Friday, September 27, 2019 3:09 PM To: Asem Alenaizan Cc:

Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Asem Alenaizan
The PATH is OK. I don’t have any other openbabels installed. I copied the plugin obf files and the openbabel-2.dll to the my program’s folder but I still see the problem. I also copied the forcefield data files to the program folder, but this did not fix the issue. From: Noel O'Boyle Sent: F

Re: [Open Babel] Using Openbabel with a New Package

2019-09-27 Thread Asem Alenaizan
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