Hi all, I am trying to get RDKit to work from a source install on RHEL6. I already disabled Java (due to errors), but would like to get Python to work, though neither a Python import, nor ctest seem to work. So, Python-RDKit was not correctly installed. Here the toolchain I use, any idea why this is not working?
## dependencies #Boost version: 1.55.0 #SWIG: /usr/local/bin/swig (found version "3.0.7") cd /tmp wget http://sourceforge.net/projects/rdkit/files/rdkit/Q1_2015/RDKit_2015_03_1.tgz tar xzvf RDKit_2015_03_1.tgz export RDBASE=/tmp/rdkit-Release_2015_03_1 cd $RDBASE mkdir build cd build wget -nv -O junit.jar http://search.maven.org/remotecontent?filepath=junit/junit/4.12/junit-4.12.jar mkdir ../External/java_lib mv junit.jar ../External/java_lib/ export DEPENDENCY_BOOST=boost_1_55_0 export BOOST_ROOT=/usr/local/src/$DEPENDENCY_BOOST export BOOST_INCLUDEDIR=/usr/local/include export BOOST_LIBRARYDIR=/usr/local/lib export PYTHONBASE=/usr/local/lib/python2.7 export PYTHON_NUMPY_INCLUDE_PATH=/usr/local/lib/python2.7/site-packages/numpy/core/include export PYTHONPATH=$PYTHONBASE/site-packages:$PYTHONPATH cmake -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_SWIG_WRAPPERS=ON -D RDK_BUILD_SWIG_JAVA_WRAPPER=OFF -D PYTHON_LIBRARY=$PYTHONBASE/config/libpython2.7.a -D PYTHON_INCLUDE_DIR=$PYTHONBASE -D PYTHON_EXECUTABLE=/usr/local/bin/python2.7 .. #cmake -D Boost_NO_SYSTEM_PATHS=ON -D RDK_BUILD_SWIG_WRAPPERS=ON -D PYTHON_LIBRARY=/usr/local/lib/python2.7/config/libpython2.7.a -D PYTHON_INCLUDE_DIR=/usr/local/include/python2.7/ -D PYTHON_EXECUTABLE=/usr/local/bin/python2.7 .. make -j8 make install ctest Start 1: testDict 1/90 Test #1: testDict ......................... Passed 0.03 sec Start 2: testDataStructs 2/90 Test #2: testDataStructs .................. Passed 0.01 sec Start 3: pyBV 3/90 Test #3: pyBV .............................***Failed 0.02 sec Start 4: pyDiscreteValueVect 4/90 Test #4: pyDiscreteValueVect ..............***Failed 0.03 sec Start 5: pySparseIntVect 5/90 Test #5: pySparseIntVect ..................***Failed 0.03 sec /.Joerg -- Google+ <https://plus.google.com/116731043002877336055/posts>, LinkedIn <http://linkedin.com/in/joergkurtwegner>, Twitter <http://twitter.com/joergkurtwegner>, FaceBook <http://www.facebook.com/joergkurtwegner>
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