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I have spent many hours trying to build RDKit on ubuntu 11.10 for Python 2.7 (rdkit_201106+dfsg.orig.tar.gz) using a precompiled version of boost 1.49. And I am failing miserably.

The recurring error is in the CMake GUI:

 CMake Error at CMakeLists.txt:11 (install):

  install FILES given no DESTINATION!



  CMake Error at CMakeLists.txt:14 (add_pytest):


  Unknown CMake command "add_pytest".

Any help please?

Solved the previous problem but now i get this error when running python even though I installed rdkit following the installation procedure:

 from rdkit import Chem
 Traceback (most recent call last):
   File "<stdin>", line 1, in <module>
 ImportError: No module named rdkit
amorales
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zinon
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2 Answers2

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make sure you have the environment variables set: (you might need to fix the paths with what you have): using bash on mac:

export RDBASE=/usr/local/share/RDKit
export PYTHONPATH=$PYTHONPATH:/usr/local/lib/python2.7/site-packages

you might want to add those lines to a bash script to automate the process.

deddu
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For Ubuntu 12.04.2 LTS setting this environment variables works for me

export RDBASE=/usr/share/RDKit
export PYTHONPATH=$PYTHONPATH:/usr/lib/pymodules/python2.7
amorales
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