Hello,
My name is Ryan Long. I am a computer technician for one of the labs at IUPUI.
We have been trying to get rdkit running on a couple of our linux systems (a
Ubuntu 10.10 and a Red Hat system) and the install seems to go ok, but when we
run ctest we get at least 25 failures. Is this normal? Should we be able to
run the program despite these errors? Any help is appreciated. Thanks!
Best Regards,
Ryan Long
PS. Below is the result of running a ctest on the Ubuntu machine:
Test project /home/liwei/RDKit_2011_12_1/build
Start 1: testDict
1/76 Test #1: testDict ......................... Passed 0.00 sec
Start 2: testDataStructs
2/76 Test #2: testDataStructs .................. Passed 0.01 sec
Start 3: pyBV
3/76 Test #3: pyBV .............................***Failed 0.02 sec
Start 4: pyDiscreteValueVect
4/76 Test #4: pyDiscreteValueVect ..............***Failed 0.03 sec
Start 5: pySparseIntVect
5/76 Test #5: pySparseIntVect ..................***Failed 0.02 sec
Start 6: testTransforms
6/76 Test #6: testTransforms ................... Passed 0.01 sec
Start 7: testGrid
7/76 Test #7: testGrid ......................... Passed 0.04 sec
Start 8: testPyGeometry
8/76 Test #8: testPyGeometry ...................***Failed 0.03 sec
Start 9: testMatrices
9/76 Test #9: testMatrices ..................... Passed 0.00 sec
Start 10: testAlignment
10/76 Test #10: testAlignment .................... Passed 0.01 sec
Start 11: pyAlignment
11/76 Test #11: pyAlignment ......................***Failed 0.02 sec
Start 12: testOptimizer
12/76 Test #12: testOptimizer .................... Passed 0.01 sec
Start 13: testForceField
13/76 Test #13: testForceField ................... Passed 0.01 sec
Start 14: testDistGeom
14/76 Test #14: testDistGeom ..................... Passed 0.01 sec
Start 15: pyDistGeom
15/76 Test #15: pyDistGeom .......................***Failed 0.10 sec
Start 16: graphmolTest1
16/76 Test #16: graphmolTest1 .................... Passed 0.19 sec
Start 17: graphmolcpTest
17/76 Test #17: graphmolcpTest ................... Passed 0.01 sec
Start 18: graphmolqueryTest
18/76 Test #18: graphmolqueryTest ................ Passed 0.01 sec
Start 19: graphmolMolOpsTest
19/76 Test #19: graphmolMolOpsTest ............... Passed 1.86 sec
Start 20: graphmoltestCanon
20/76 Test #20: graphmoltestCanon ................ Passed 0.01 sec
Start 21: graphmoltestChirality
21/76 Test #21: graphmoltestChirality ............ Passed 0.05 sec
Start 22: graphmoltestPickler
22/76 Test #22: graphmoltestPickler .............. Passed 0.34 sec
Start 23: graphmolIterTest
23/76 Test #23: graphmolIterTest ................. Passed 0.01 sec
Start 24: testDepictor
24/76 Test #24: testDepictor ..................... Passed 0.56 sec
Start 25: pyDepictor
25/76 Test #25: pyDepictor .......................***Failed 0.02 sec
Start 26: smiTest1
26/76 Test #26: smiTest1 ......................... Passed 0.36 sec
Start 27: smaTest1
27/76 Test #27: smaTest1 ......................... Passed 1.97 sec
Start 28: fileParsersTest1
28/76 Test #28: fileParsersTest1 ................. Passed 63.68 sec
Start 29: testMolSupplier
29/76 Test #29: testMolSupplier .................. Passed 0.26 sec
Start 30: testMolWriter
30/76 Test #30: testMolWriter .................... Passed 0.48 sec
Start 31: testTplParser
31/76 Test #31: testTplParser .................... Passed 0.02 sec
Start 32: testMol2ToMol
32/76 Test #32: testMol2ToMol .................... Passed 0.03 sec
Start 33: testSubstructMatch
33/76 Test #33: testSubstructMatch ............... Passed 0.01 sec
Start 34: testReaction
34/76 Test #34: testReaction ..................... Passed 0.09 sec
Start 35: pyChemReactions
35/76 Test #35: pyChemReactions ..................***Failed 0.02 sec
Start 36: testChemTransforms
36/76 Test #36: testChemTransforms ............... Passed 0.04 sec
Start 37: testSubgraphs1
37/76 Test #37: testSubgraphs1 ................... Passed 0.57 sec
Start 38: testSubgraphs2
38/76 Test #38: testSubgraphs2 ................... Passed 0.01 sec
Start 39: testFragCatalog
39/76 Test #39: testFragCatalog .................. Passed 1.77 sec
Start 40: pyFragCatalog
40/76 Test #40: pyFragCatalog ....................***Failed 0.02 sec
Start 41: testDescriptors
41/76 Test #41: testDescriptors .................. Passed 0.26 sec
Start 42: pyMolDescriptors
42/76 Test #42: pyMolDescriptors .................***Failed 0.02 sec
Start 43: testFingerprints
43/76 Test #43: testFingerprints ................. Passed 0.26 sec
Start 44: pyPartialCharges
44/76 Test #44: pyPartialCharges .................***Failed 0.02 sec
Start 45: testMolTransforms
45/76 Test #45: testMolTransforms ................ Passed 0.01 sec
Start 46: pyMolTransforms
46/76 Test #46: pyMolTransforms ..................***Failed 0.02 sec
Start 47: testForceFieldHelpers
47/76 Test #47: testForceFieldHelpers ............ Passed 3.51 sec
Start 48: pyForceFieldHelpers
48/76 Test #48: pyForceFieldHelpers ..............***Failed 0.02 sec
Start 49: testDistGeomHelpers
49/76 Test #49: testDistGeomHelpers .............. Passed 1.03 sec
Start 50: pyDistGeom
50/76 Test #50: pyDistGeom .......................***Failed 0.02 sec
Start 51: testMolAlign
51/76 Test #51: testMolAlign ..................... Passed 0.16 sec
Start 52: pyMolAlign
52/76 Test #52: pyMolAlign .......................***Failed 0.02 sec
Start 53: testFeatures
53/76 Test #53: testFeatures ..................... Passed 0.01 sec
Start 54: pyChemicalFeatures
54/76 Test #54: pyChemicalFeatures ...............***Failed 0.02 sec
Start 55: testShapeHelpers
55/76 Test #55: testShapeHelpers ................. Passed 0.02 sec
Start 56: pyShapeHelpers
56/76 Test #56: pyShapeHelpers ...................***Failed 0.02 sec
Start 57: testMolCatalog
57/76 Test #57: testMolCatalog ................... Passed 0.01 sec
Start 58: pyMolCatalog
58/76 Test #58: pyMolCatalog .....................***Failed 0.02 sec
Start 59: testSLNParse
59/76 Test #59: testSLNParse ..................... Passed 0.03 sec
Start 60: pySLNParse
60/76 Test #60: pySLNParse .......................***Failed 0.02 sec
Start 61: pyGraphMolWrap
61/76 Test #61: pyGraphMolWrap ...................***Failed 0.05 sec
Start 62: pyTestConformerWrap
62/76 Test #62: pyTestConformerWrap ..............***Failed 0.02 sec
Start 63: testQuery
63/76 Test #63: testQuery ........................ Passed 0.00 sec
Start 64: testMatCalc
64/76 Test #64: testMatCalc ...................... Passed 0.00 sec
Start 65: pyMatCalc
65/76 Test #65: pyMatCalc ........................***Failed 0.02 sec
Start 66: pyCMIM
66/76 Test #66: pyCMIM ...........................***Failed 0.02 sec
Start 67: pyRanker
67/76 Test #67: pyRanker .........................***Failed 0.03 sec
Start 68: testChemicalFeatures
68/76 Test #68: testChemicalFeatures ............. Passed 0.00 sec
Start 69: pyFeatures
69/76 Test #69: pyFeatures .......................***Failed 0.02 sec
Start 70: pythonTestDbCLI
70/76 Test #70: pythonTestDbCLI .................. Passed 0.21 sec
Start 71: pythonTestDirML
71/76 Test #71: pythonTestDirML .................. Passed 3.39 sec
Start 72: pythonTestDirDataStructs
72/76 Test #72: pythonTestDirDataStructs ......... Passed 0.02 sec
Start 73: pythonTestDirDbase
73/76 Test #73: pythonTestDirDbase ............... Passed 0.02 sec
Start 74: pythonTestDirSimDivFilters
74/76 Test #74: pythonTestDirSimDivFilters ....... Passed 0.02 sec
Start 75: pythonTestDirVLib
75/76 Test #75: pythonTestDirVLib ................ Passed 0.02 sec
Start 76: pythonTestDirChem
76/76 Test #76: pythonTestDirChem ................ Passed 1.84 sec
67% tests passed, 25 tests failed out of 76
Total Test time (real) = 83.93 sec
The following tests FAILED:
3 - pyBV (Failed)
4 - pyDiscreteValueVect (Failed)
5 - pySparseIntVect (Failed)
8 - testPyGeometry (Failed)
11 - pyAlignment (Failed)
15 - pyDistGeom (Failed)
25 - pyDepictor (Failed)
35 - pyChemReactions (Failed)
40 - pyFragCatalog (Failed)
42 - pyMolDescriptors (Failed)
44 - pyPartialCharges (Failed)
46 - pyMolTransforms (Failed)
48 - pyForceFieldHelpers (Failed)
50 - pyDistGeom (Failed)
52 - pyMolAlign (Failed)
54 - pyChemicalFeatures (Failed)
56 - pyShapeHelpers (Failed)
58 - pyMolCatalog (Failed)
60 - pySLNParse (Failed)
61 - pyGraphMolWrap (Failed)
62 - pyTestConformerWrap (Failed)
65 - pyMatCalc (Failed)
66 - pyCMIM (Failed)
67 - pyRanker (Failed)
69 - pyFeatures (Failed)
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