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 -
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
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,
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
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