Yes. Thank you. > On Jul 8, 2016, at 10:33 AM, Noel O'Boyle <baoille...@gmail.com> wrote: > > Your INCLUDE_DIR has a ~. This means your home directory. > > On 8 July 2016 at 16:14, Dan Smith <s...@bellsouth.net> wrote: >> Leonardo, thanks for the suggestion. >> >> I tried the DPYTHON_INCLUDE_DIR option shown below. >> >> cmake ../openbabel -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON >> -DPYTHON_INCLUDE_DIR=~/usr/include/python2.7 >> >> make failed with the following error. >> >> /Users/dansmith/Documents/MOLECULAR_MODELING/OpenBabel/openbabel/scripts/python/openbabel-python.cpp:174:11: >> fatal error: >> 'Python.h' file not found >> # include <Python.h> >> ^ >> 1 error generated. >> >> In the original build attempt without the DPYTHON_INCLUDE_DIR option. >> There were 3 warnings at the same point shown below and several messages. >> >> I’m not sure why my implementation of your suggestion fails as I verified >> that Python.h could be found in /usr/include/python2.7; however, after >> closer inspection of the “sudo make install” output I believe I have >> discovered part of the problem. I tried the original installation method. >> >> cmake ../openbabel -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON >> make >> sudo make install >> >> The output from “sudo make install” for openbabel.py and pybel.py is shown >> below. >> >> -- Installing: /usr/local/lib/python2.7/site-packages/_openbabel.so >> -- Up-to-date: /usr/local/lib/python2.7/site-packages/openbabel.py >> -— Up-to-date: /usr/local/lib/python2.7/site-packages/pybel.py >> >> I set the python path as follows. >> >> export PYTHONPATH=/usr/local/lib/python2.7/site-packages/:$PYTHONPATH >> >> Importing pybel and openbabel works now. I tried to work through some of the >> examples on the web >> (http://openbabel.org/docs/current/UseTheLibrary/Python_Pybel.html). The >> examples do not work exactly as written. For instance, I cannot use the >> command “read string”, but I can use “pybel.readstring”. >> >>>>> mymol = readstring("smi", "CCCC") >> Traceback (most recent call last): >> File "<stdin>", line 1, in <module> >> NameError: name 'readstring' is not defined >>>>> mymol = pybel.readstring("smi", "CCCC") >>>>> print mymol.molwt >> 58.1222 >> >> Is this normal or is there something wrong with my installation? >> >> Thanks, >> >> Dan >> >> >> On Jul 7, 2016, at 6:01 PM, Leonardo Lazzaro <llazz...@dc.uba.ar> wrote: >> >> Hello, >> >> try to use the options DPYTHON_INCLUDE_DIR, DCMAKE_INSTALL_PREFIX. >> for example for anaconda2 I used the following command: >> >> cmake .. -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON >> -DCMAKE_INSTALL_PREFIX=~/anaconda2 >> -DPYTHON_INCLUDE_DIR=~/anaconda2/include/python2.7 >> -DCMAKE_LIBRARY_PATH=~/anaconda2/lib >> -DSWIG_DIR=~/anaconda2/share/swig/3.0.2/ >> -DSWIG_EXECUTABLE=~/anaconda2/bin/swig >> -DPYTHON_LIBRARY=~/anaconda2/lib/libpython2.7.so >> -DCMAKE_BUILD_TYPE=DEBUG >> >> hope it helps, >> Leonardo >> >> On 2016-07-07 17:23, Dan Smith wrote: >> >> Hello, >> >> I am using openbabel on a Mac - El Capitan OS X 10.11.5 operating >> system. >> >> I have installed eigen2. I have python version 2.7.10. >> >> I have successfully compiled version 2.3.90 using the following >> commands in terminal. >> >> cmake ../openbabel -DPYTHON_BINDINGS=ON -DRUN_SWIG=ON >> >> make >> >> sudo make install >> export PYTHONPATH=/usr/local/lib:$PYTHONPATH >> >> When I attempt to import pybel or openbabel in Python I get the >> following messages. >> >> import pybel >> >> Traceback (most recent call last): >> File "<stdin>", line 1, in <module> >> ImportError: No module named pybel >> >> import openbabel >> >> Traceback (most recent call last): >> File "<stdin>", line 1, in <module> >> ImportError: No module named openbabel >> >> I have tried to search previous posts but have not found an answer >> that will solve my problem. At this point I’m not sure what to do to >> diagnose the problem. >> >> Any help in solving my problem would be appreciated. >> >> Thanks, >> >> Dan >> ------------------------------------------------------------------------------ >> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San >> Francisco, CA to explore cutting-edge tech and listen to tech >> luminaries >> present their vision of the future. This family event has something for >> everyone, including kids. Get more information and register today. >> http://sdm.link/attshape >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> >> ------------------------------------------------------------------------------ >> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San >> Francisco, CA to explore cutting-edge tech and listen to tech luminaries >> present their vision of the future. This family event has something for >> everyone, including kids. Get more information and register today. >> http://sdm.link/attshape >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> >> >> ------------------------------------------------------------------------------ >> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San >> Francisco, CA to explore cutting-edge tech and listen to tech luminaries >> present their vision of the future. This family event has something for >> everyone, including kids. Get more information and register today. >> http://sdm.link/attshape >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >>
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