Thanks Noel,
Had to also copy over openbabel-2.dll to site-packages but the modules
did load after that exercise. I was smiling... was...
First test was to see if I could load an sdf. No success. "ValueError:
sdf is not a recognized Open Babel format". Checked informats and was
surprised to see it was empty.
print sorted(pybel.informats)
[]
Tried the following as well...
obconversion = openbabel.OBConversion()
for i in obconversion.GetSupportedInputFormat():
print repr(i)
The above gives me nothing, confirming the pybel result above for ob
itself.
So, that's when I lost my smile. :( Have I excluded something to get it
to build that is causing no input formats to be available? The only
format that wouldn't compile was the orcaformat, from formats_compchem,
which I excluded from the build. To confirm if it was a universal
problem, I went to a cmd shell and tried to run a simple conversion
"babel -isdf test.sdf -omol2 test.mol". This works fine. Checked the
file and the mol2 is perfect... So I'm not sure what is left to try.
Seems like babel is built correctly and it must be python related. Or
it's me... Which is always a possibility
I think everything is pointing where it belongs. BABEL_DATADIR is
pointing to the top level data directory in the ob folder. BABEL_LIBDIR
is pointing to the libs folder inside the newest x64 release build. The
windows-vc2008build_x64binRelease is in the path (Am I missing others?)
I had trouble with babel (in a cmd window) recognizing where
libinchi.dll was so I added the libs folder directly in the path as
well. No chnges here affect the problem.
Baby steps progress is still progress...
Thanks,
Dale
On 2014-11-21 08:05, Noel O'Boyle wrote:
> Just copy the relevant files to site-packages: pybel.py, openbabel.py,
> _openbabel.pyd. Then add your release build to the front of the
> windows PATH (or else copy everything to site-packages but that's not
> very nice) and "import pybel".
>
> - Noel
>
> On 21 November 2014 15:45, Dale R. Cameron <dcame...@westcoastchemist.ca>
> wrote:
>
>> I had no trouble with SWIG. Installed the latest version for Windows, told
>> cmake where it would be and no troubles at all. My trouble is installing
>> them afterwards to be importable in python. Dale On 2014-11-21 04:33,
>> Mathias Laurin wrote: My only remaining issue is how to install the python
>> bindings for this newly built set. I have not found instructions for how to
>> perform that last task to get me where I want to be. In theory, you need to
>> call cmake with -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON -DSWIG_DIR=/bin The last
>> one must be adapted to wherever you actually installed swig; I put mine in
>> /bin using MSYS. Now, I did that on my own 32 bit install and make complains
>> that it does not find swig.swg and python.swg. Any clue? Does it run on 64
>> bits? Best regards Mathias
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