[Rdkit-discuss] RDKit ctest failed

2012-08-17 Thread Vladimir Chupakhin
Dear colleagues, after compiling and installing last RDKit under Ubuntu12.04 (64bit) I have following test failed. The following tests FAILED: 3 - pyBV (Failed) 8 - testPyGeometry (Failed) 35 - pyChemReactions (Failed) 42 - pyMolDescriptors (Failed) 61 - pyGraphMolWrap (SEGFAULT) 69 -

Re: [Rdkit-discuss] RDKit ctest failed

2012-08-17 Thread Abhik Seal
Dear Vladimir, Check the python path . RDBASE must have the python path. Abhik Seal Indiana University Bloomington Department of Chemical Informatics abs...@indiana.edu *OSDD CHEMINFORMATICS* +18123699097 http://mypage.iu.edu/~abseal/index.htm On Fri, Aug 17, 2012 at 8:29 PM, Vladimir

Re: [Rdkit-discuss] RDKit ctest failed

2012-08-17 Thread Vladimir Chupakhin
I have added this into the .bashrc export RDBASE=/home/chupvl/scisoft/rdkit/ export PYTHONPATH=/home/chupvl/scisoft/rdkit/:/usr/include/python2.7/ export LD_LIBRARY_PATH=/home/chupvl/scisoft/rdkit/lib/ but actually received even *more* Failed messages. Best regards, -- Vladimir Chupakhin,

Re: [Rdkit-discuss] RDKit ctest failed

2012-08-17 Thread Vladimir Chupakhin
The commands report following info (I recompiled to /home/chupvl/scisoft/RDKit_2012_06_1/ - this path). /home/chupvl/scisoft/RDKit_2012_06_1/rdkit/rdBase.so linux-vdso.so.1 = (0x7fff45a96000) libSmilesParse.so.1 = /home/chupvl/scisoft/RDKit_2012_06_1/lib/libSmilesParse.so.1