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, <alenaiz...@gmail.com> wrote: > 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_compiler: vs2015 > > cxx_compiler: vs2015” > > > > So I installed visual studio 2015 and compiled my program. The cl command > for the x86_amd64 gives this information: > > “Microsoft (R) C/C++ Optimizing Compiler Version 19.00.24215.1 for x64” > > > > The program can be compiled and linked correctly against openbabel, but I > cannot find the force field. > > I also tried with newer visual studios but had the same problem. > > > > Asim > > > > *From: *Noel O'Boyle <baoille...@gmail.com> > *Sent: *Thursday, September 26, 2019 4:10 PM > *To: *Asem Alenaizan <alenaiz...@gmail.com> > *Cc: *openbabel-discuss@lists.sourceforge.net > *Subject: *Re: [Open Babel] Using Openbabel with a New Package > > > > Were those conda packages built with the same compiler? > > > > On Thu, 26 Sep 2019, 21:05 Asim Alenaizan, <alenaiz...@gmail.com> wrote: > > I do not compile Open Babel. I use the pre-compiled library provided in > conda-forge. And yes, the binaries work if I set BABEL_DATADIR to the > correct path. > > Asim > > > > On Thu, Sep 26, 2019 at 3:52 PM Noel O'Boyle <baoille...@gmail.com> wrote: > > When you compile Open Babel, do the binaries work? e.g. "obabel -:CCCC > -omol --gen3d" > > > > Regarding 3.0 versus 2.4.1, the release is imminent. Whether you wait or > not, is up to you. > > > > - Noel > > > > On Thu, 26 Sep 2019 at 17:54, Asem Alenaizan <alenaiz...@gmail.com> wrote: > > Hello, > > > > We are currently working on developing a package for predicting the > structure of proto-nucleic acids. In this program, users can input > arbitrary backbone structure and other parameters. Then, the program > performs a conformational search over the dihedral angles of the backbone > to predict whether the given backbone can be used to form a stable nucleic > acid structure. We use the C++ OpenBabel API for all the manipulation of > the molecule and computation of the energies. Additionally we have a python > wrapper that uses pybind11 and a graphical user interface that uses Jupyter > notebook. > > > > The program is hosted at https://github.com/alenaizan/pnab. I managed to > make the program work in Linux and Mac but I have repeatedly failed to make > it work in Windows. This is one of last remaining issues that I need to > implement before we officially release the software. I always get the error > that force fields cannot be found, even though I set the BABEL_DATADIR > environment variable to the appropriate data folder. Neither Linux nor Mac > requires the manual setting of BABEL_DATADIR if I install openbabel through > conda. I use the openbabel 2.4.1 package available in conda-forge and the > 2019 visual studio build tools. I appreciate some help on how to fix this > issue. > > > > On another note, I noticed that the alpha release of openbabel 3.0.0 has > been announced. What is the expected timeline for the release of a stable > version, and is it necessary for our program to wait until openbabel 3 is > released? > > > > Regards, > > Asem > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > >
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