Thanks ... it worked like a charm. Infact conda was the first thing I had tried, not sure why it didn't work first time.
Best, Sanjan On Wed, Nov 30, 2016 at 7:42 AM, mwojcikowski [via Open Babel] < ml-node+s957263n4659623...@n4.nabble.com> wrote: > Hi Sanjan, > > Since you've already have (Ana)conda, the easiest solution whould be > installing it via conda: > > "conda install -c openbabel openbabel" > > ---- > Pozdrawiam, | Best regards, > Maciek Wójcikowski > [hidden email] <http:///user/SendEmail.jtp?type=node&node=4659623&i=0> > > 2016-11-30 3:46 GMT+01:00 tpsanjan <[hidden email] > <http:///user/SendEmail.jtp?type=node&node=4659623&i=1>>: > >> Hi, >> >> I have been trying install python bindings for openbabel 2.4.1 on >> Ubunut16.04 with python 3.5.2 (installed via Anaconda) but haven't been >> able >> to get it working. Here's what I have tried so far: >> >> Based on David Hall's post in this thread: >> >> $ git clone https://github.com/openbabel/openbabel.git >> $ cd openbabel >> $ mkdir build >> $ cd build >> $ cmake .. -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPYTHON_BINDINGS=ON >> -DRUN_SWIG=ON >> $ grep '^PYTHON' CMakeCache.txt >> >> And then followed the steps given on openbabel docs >> (https://open-babel.readthedocs.io/en/latest/Installation/ >> install.html#compile-bindings) >> >> $ cmake ../openbabel-2.3.2 -DPYTHON_BINDINGS=ON >> $ make >> # make install >> $ export PYTHONPATH=/usr/local/lib:$PYTHONPATH >> >> All commands seemed to run smoothly (python3-dev is installed). But when I >> use python shell through terminal: >> >> sgupta78@sgupta78:~$ python >> imPython 3.5.2 |Anaconda 4.1.1 (64-bit)| (default, Jul 2 2016, 17:53:06) >> [GCC 4.4.7 20120313 (Red Hat 4.4.7-1)] on linux >> Type "help", "copyright", "credits" or "license" for more information. >> >>> import openbabel >> >>> mol = openbabel.OBMol() >> Traceback (most recent call last): >> File "<stdin>", line 1, in <module> >> AttributeError: module 'openbabel' has no attribute 'OBMol' >> >> import openbabel was successful *but none of the functions in openbabel >> module are being recognized*. As shown above it's raising AttributeError. >> Is >> there something that I missed during installation steps shown above? >> >> Secondly, when I ran a simple script [just to test OBMol() ] stored in a >> sub-folder of home directory, *even the import openbabel failed*. This >> possibly means that the environment variables haven't been set. I assumed >> that cmake and export steps above possibly take care of it. >> >> Any help would be appreciated. >> >> Thanks, >> Sanjan >> >> >> >> >> >> >> >> -- >> View this message in context: http://forums.openbabel.org/Op >> enBabel-for-Python-3-tp4659432p4659622.html >> Sent from the General discussion mailing list archive at Nabble.com. >> >> ------------------------------------------------------------ >> ------------------ >> _______________________________________________ >> OpenBabel-discuss mailing list >> [hidden email] <http:///user/SendEmail.jtp?type=node&node=4659623&i=2> >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> > > > ------------------------------------------------------------------------------ > > > _______________________________________________ > OpenBabel-discuss mailing list > [hidden email] <http:///user/SendEmail.jtp?type=node&node=4659623&i=3> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > > ------------------------------ > If you reply to this email, your message will be added to the discussion > below: > http://forums.openbabel.org/OpenBabel-for-Python-3-tp4659432p4659623.html > To unsubscribe from OpenBabel for Python 3?, click here > <http://forums.openbabel.org/template/NamlServlet.jtp?macro=unsubscribe_by_code&node=4659432&code=dHBzYW5qYW5AZ21haWwuY29tfDQ2NTk0MzJ8LTE3NTAwMjc1NjA=> > . > NAML > <http://forums.openbabel.org/template/NamlServlet.jtp?macro=macro_viewer&id=instant_html%21nabble%3Aemail.naml&base=nabble.naml.namespaces.BasicNamespace-nabble.view.web.template.NabbleNamespace-nabble.view.web.template.NodeNamespace&breadcrumbs=notify_subscribers%21nabble%3Aemail.naml-instant_emails%21nabble%3Aemail.naml-send_instant_email%21nabble%3Aemail.naml> > -- View this message in context: http://forums.openbabel.org/OpenBabel-for-Python-3-tp4659432p4659624.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
