[Bug 804125] Review Request: rdkit - A toolkit for cheminformatics and machine learning

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https://bugzilla.redhat.com/show_bug.cgi?id=804125



--- Comment #29 from Christopher Meng <i@xxxxxxxx> ---
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.9AZKoz
+ umask 022
+ cd /builddir/build/BUILD
+ cd rdkit-Release_2014_03_1
+ export RDBASE=/builddir/build/BUILD/rdkit-Release_2014_03_1
+ RDBASE=/builddir/build/BUILD/rdkit-Release_2014_03_1
+ export LD_LIBRARY_PATH=/builddir/build/BUILD/rdkit-Release_2014_03_1/lib
+ LD_LIBRARY_PATH=/builddir/build/BUILD/rdkit-Release_2014_03_1/lib
+ export PYTHONPATH=/builddir/build/BUILD/rdkit-Release_2014_03_1
+ PYTHONPATH=/builddir/build/BUILD/rdkit-Release_2014_03_1
+ make test
Running tests...
/usr/bin/ctest --force-new-ctest-process 
Test project /builddir/build/BUILD/rdkit-Release_2014_03_1
      Start  1: testInchi
 1/79 Test  #1: testInchi ........................   Passed    0.21 sec
      Start  2: testDict
 2/79 Test  #2: testDict .........................   Passed    0.07 sec
      Start  3: testDataStructs
 3/79 Test  #3: testDataStructs ..................   Passed    0.08 sec
      Start  4: pyBV
 4/79 Test  #4: pyBV .............................   Passed    3.81 sec
      Start  5: pyDiscreteValueVect
 5/79 Test  #5: pyDiscreteValueVect ..............   Passed    0.23 sec
      Start  6: pySparseIntVect
 6/79 Test  #6: pySparseIntVect ..................   Passed    0.22 sec
      Start  7: testTransforms
 7/79 Test  #7: testTransforms ...................   Passed    0.02 sec
      Start  8: testGrid
 8/79 Test  #8: testGrid .........................   Passed    0.43 sec
      Start  9: testPyGeometry
 9/79 Test  #9: testPyGeometry ...................   Passed    0.25 sec
      Start 10: testMatrices
10/79 Test #10: testMatrices .....................   Passed    0.01 sec
      Start 11: testAlignment
11/79 Test #11: testAlignment ....................   Passed    0.02 sec
      Start 12: pyAlignment
12/79 Test #12: pyAlignment ......................   Passed    0.28 sec
      Start 13: testOptimizer
13/79 Test #13: testOptimizer ....................   Passed    0.01 sec
      Start 14: testUFFForceField
14/79 Test #14: testUFFForceField ................***Exception: Other  0.13 sec
      Start 15: testMMFFForceField
15/79 Test #15: testMMFFForceField ...............***Exception: Other  0.29 sec
      Start 16: pyForceFieldConstraints
16/79 Test #16: pyForceFieldConstraints ..........***Failed    0.37 sec
      Start 17: testDistGeom
17/79 Test #17: testDistGeom .....................   Passed    0.02 sec
      Start 18: pyDistGeom
18/79 Test #18: pyDistGeom .......................   Passed    0.21 sec
      Start 19: graphmolTest1
19/79 Test #19: graphmolTest1 ....................   Passed    0.25 sec
      Start 20: graphmolcpTest
20/79 Test #20: graphmolcpTest ...................   Passed    0.05 sec
      Start 21: graphmolqueryTest
21/79 Test #21: graphmolqueryTest ................   Passed    0.05 sec
      Start 22: graphmolMolOpsTest
22/79 Test #22: graphmolMolOpsTest ...............   Passed    3.35 sec
      Start 23: graphmoltestCanon
23/79 Test #23: graphmoltestCanon ................   Passed    0.37 sec
      Start 24: graphmoltestChirality
24/79 Test #24: graphmoltestChirality ............   Passed    0.23 sec
      Start 25: graphmoltestPickler
25/79 Test #25: graphmoltestPickler ..............   Passed    0.71 sec
      Start 26: graphmolIterTest
26/79 Test #26: graphmolIterTest .................   Passed    0.05 sec
      Start 27: testDepictor
27/79 Test #27: testDepictor .....................   Passed    0.85 sec
      Start 28: pyDepictor
28/79 Test #28: pyDepictor .......................   Passed    0.73 sec
      Start 29: smiTest1
29/79 Test #29: smiTest1 .........................   Passed    0.55 sec
      Start 30: smaTest1
30/79 Test #30: smaTest1 .........................   Passed    2.69 sec
      Start 31: fileParsersTest1
31/79 Test #31: fileParsersTest1 .................   Passed   13.93 sec
      Start 32: testMolSupplier
32/79 Test #32: testMolSupplier ..................   Passed    0.72 sec
      Start 33: testMolWriter
33/79 Test #33: testMolWriter ....................   Passed    0.71 sec
      Start 34: testTplParser
34/79 Test #34: testTplParser ....................   Passed    0.06 sec
      Start 35: testMol2ToMol
35/79 Test #35: testMol2ToMol ....................   Passed    0.11 sec
      Start 36: testSubstructMatch
36/79 Test #36: testSubstructMatch ...............   Passed    0.05 sec
      Start 37: testReaction
37/79 Test #37: testReaction .....................   Passed    0.21 sec
      Start 38: pyChemReactions
38/79 Test #38: pyChemReactions ..................   Passed    0.26 sec
      Start 39: testChemTransforms
39/79 Test #39: testChemTransforms ...............   Passed    0.16 sec
      Start 40: testSubgraphs1
40/79 Test #40: testSubgraphs1 ...................   Passed    0.67 sec
      Start 41: testSubgraphs2
41/79 Test #41: testSubgraphs2 ...................   Passed    0.06 sec
      Start 42: testFragCatalog
42/79 Test #42: testFragCatalog ..................   Passed    2.10 sec
      Start 43: pyFragCatalog
43/79 Test #43: pyFragCatalog ....................   Passed    0.65 sec
      Start 44: testDescriptors
44/79 Test #44: testDescriptors ..................   Passed    0.48 sec
      Start 45: pyMolDescriptors
45/79 Test #45: pyMolDescriptors .................   Passed    0.47 sec
      Start 46: testFingerprints
46/79 Test #46: testFingerprints .................   Passed    0.40 sec
      Start 47: pyPartialCharges
47/79 Test #47: pyPartialCharges .................   Passed    0.60 sec
      Start 48: testMolTransforms
48/79 Test #48: testMolTransforms ................   Passed    0.08 sec
      Start 49: pyMolTransforms
49/79 Test #49: pyMolTransforms ..................   Passed    0.26 sec
      Start 50: testMMFFForceFieldHelpers
50/79 Test #50: testMMFFForceFieldHelpers ........***Exception: Other  0.11 sec
      Start 51: testUFFForceFieldHelpers
51/79 Test #51: testUFFForceFieldHelpers .........***Exception: Other  0.07 sec
      Start 52: pyForceFieldHelpers
52/79 Test #52: pyForceFieldHelpers ..............***Failed    0.29 sec
      Start 53: testDistGeomHelpers
53/79 Test #53: testDistGeomHelpers ..............   Passed    1.63 sec
      Start 54: pyDistGeom
54/79 Test #54: pyDistGeom .......................***Failed    1.38 sec
      Start 55: testMolAlign
55/79 Test #55: testMolAlign .....................***Exception: Other  0.41 sec
      Start 56: pyMolAlign
56/79 Test #56: pyMolAlign .......................***Failed    8.33 sec
      Start 57: testFeatures
57/79 Test #57: testFeatures .....................   Passed    0.11 sec
      Start 58: pyChemicalFeatures
58/79 Test #58: pyChemicalFeatures ...............   Passed    0.25 sec
      Start 59: testShapeHelpers
59/79 Test #59: testShapeHelpers .................   Passed    0.12 sec
      Start 60: pyShapeHelpers
60/79 Test #60: pyShapeHelpers ...................   Passed    0.33 sec
      Start 61: testMolCatalog
61/79 Test #61: testMolCatalog ...................   Passed    0.04 sec
      Start 62: pyMolCatalog
62/79 Test #62: pyMolCatalog .....................   Passed    0.23 sec
      Start 63: testSLNParse
63/79 Test #63: testSLNParse .....................   Passed    0.17 sec
      Start 64: pySLNParse
64/79 Test #64: pySLNParse .......................   Passed    0.24 sec
      Start 65: pyGraphMolWrap
65/79 Test #65: pyGraphMolWrap ...................   Passed   12.84 sec
      Start 66: pyTestConformerWrap
66/79 Test #66: pyTestConformerWrap ..............   Passed    0.26 sec
      Start 67: testQuery
67/79 Test #67: testQuery ........................   Passed    0.05 sec
      Start 68: testMatCalc
68/79 Test #68: testMatCalc ......................   Passed    0.02 sec
      Start 69: pyMatCalc
69/79 Test #69: pyMatCalc ........................   Passed    1.03 sec
      Start 70: pyRanker
70/79 Test #70: pyRanker .........................   Passed    0.36 sec
      Start 71: testChemicalFeatures
71/79 Test #71: testChemicalFeatures .............   Passed    0.02 sec
      Start 72: pyFeatures
72/79 Test #72: pyFeatures .......................   Passed    0.23 sec
      Start 73: pythonTestDbCLI
73/79 Test #73: pythonTestDbCLI ..................   Passed   43.24 sec
      Start 74: pythonTestDirML
74/79 Test #74: pythonTestDirML ..................   Passed   11.82 sec
      Start 75: pythonTestDirDataStructs
75/79 Test #75: pythonTestDirDataStructs .........   Passed    0.06 sec
      Start 76: pythonTestDirDbase
76/79 Test #76: pythonTestDirDbase ...............   Passed    0.03 sec
      Start 77: pythonTestDirSimDivFilters
77/79 Test #77: pythonTestDirSimDivFilters .......   Passed    0.02 sec
      Start 78: pythonTestDirVLib
78/79 Test #78: pythonTestDirVLib ................   Passed    0.03 sec
      Start 79: pythonTestDirChem
79/79 Test #79: pythonTestDirChem ................***Failed   93.17 sec
87% tests passed, 10 tests failed out of 79
Total Test time (real) = 216.11 sec
The following tests FAILED:
     14 - testUFFForceField (OTHER_FAULT)
     15 - testMMFFForceField (OTHER_FAULT)
     16 - pyForceFieldConstraints (Failed)
     50 - testMMFFForceFieldHelpers (OTHER_FAULT)
     51 - testUFFForceFieldHelpers (OTHER_FAULT)
     52 - pyForceFieldHelpers (Failed)
     54 - pyDistGeom (Failed)
     55 - testMolAlign (OTHER_FAULT)
     56 - pyMolAlign (Failed)
     79 - pythonTestDirChem (Failed)
Errors while running CTest
make: *** [test] Error 8
RPM build errors:
error: Bad exit status from /var/tmp/rpm-tmp.9AZKoz (%check)
    Bad exit status from /var/tmp/rpm-tmp.9AZKoz (%check)
Child return code was: 1

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