Dear All,
I have been used RDKit 2015_03_1 with self-build version of python 2.7 and
boost 1.62 on CentOS 5.11.
Now I tried to built and install 2016_09_3 in the same environment and I got 13
errors after ctest.
88% tests passed, 13 tests failed out of 112
The following tests FAILED:
7 - pyBV (Failed)
8 - pyDiscreteValueVect (Failed)
9 - pySparseIntVect (Failed)
13 - testPyGeometry (Failed)
64 - pyMolTransforms (Failed)
70 - pyDistGeom (Failed)
72 - pyMolAlign (Failed)
74 - pyChemicalFeatures (Failed)
95 - pyGraphMolWrap (Failed)
97 - pyTestTrajectory (Failed)
102 - pySimDivPickers (Failed)
108 - pythonTestDirDataStructs (Failed)
112 - pythonTestDirChem (Failed)
Errors while running CTest
I checked following commands. I could not find problems.
$ ldd $RDBASE/rdkit/Chem/rdchem.so
linux-vdso.so.1 => (0x00007fff5e3fd000)
libSmilesParse.so.1 => /home/nmr/RDKit/lib/libSmilesParse.so.1
(0x00002b7ccfaa0000)
libChemTransforms.so.1 => /home/nmr/RDKit/lib/libChemTransforms.so.1
(0x00002b7ccfcf6000)
libSubstructMatch.so.1 => /home/nmr/RDKit/lib/libSubstructMatch.so.1
(0x00002b7ccff39000)
libGraphMol.so.1 => /home/nmr/RDKit/lib/libGraphMol.so.1
(0x00002b7cd0167000)
libRDGeometryLib.so.1 => /home/nmr/RDKit/lib/libRDGeometryLib.so.1
(0x00002b7cd04c9000)
libRDGeneral.so.1 => /home/nmr/RDKit/lib/libRDGeneral.so.1
(0x00002b7cd06e4000)
libRDBoost.so.1 => /home/nmr/RDKit/lib/libRDBoost.so.1
(0x00002b7cd08ff000)
libboost_python.so.1.62.0 =>
/usr/local/boost_1_62_0/lib/libboost_python.so.1.62.0 (0x00002b7cd0ccb000)
libboost_thread.so.1.62.0 =>
/usr/local/boost_1_62_0/lib/libboost_thread.so.1.62.0 (0x00002b7cd0f1f000)
libboost_system.so.1.62.0 =>
/usr/local/boost_1_62_0/lib/libboost_system.so.1.62.0 (0x00002b7cd1145000)
libboost_serialization.so.1.62.0 =>
/usr/local/boost_1_62_0/lib/libboost_serialization.so.1.62.0
(0x00002b7cd1349000)
libDataStructs.so.1 => /home/nmr/RDKit/lib/libDataStructs.so.1
(0x00002b7cd1599000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b7cd18fd000)
libstdc++.so.6 => /usr/lib64/libstdc++.so.6 (0x00002b7cd1b1a000)
libm.so.6 => /lib64/libm.so.6 (0x00002b7cd1e1a000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b7cd209d000)
libc.so.6 => /lib64/libc.so.6 (0x00002b7cd22ac000)
libdl.so.2 => /lib64/libdl.so.2 (0x00002b7cd2605000)
libutil.so.1 => /lib64/libutil.so.1 (0x00002b7cd280a000)
librt.so.1 => /lib64/librt.so.1 (0x00002b7cd2a0d000)
/lib64/ld-linux-x86-64.so.2 (0x0000003ada200000)
$ python -c 'from rdkit import rdBase; print rdBase.__file__'
/home/nmr/RDKit/rdkit/rdBase.so
Can you please suggest any solutions?
Thank you,
Rintarou
------------------------------------------------------------
Suzuki, Rintarou
National Agriculture and Food Research Organization
Tsukuba, Japan
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