Hi All,
I was trying to install RDKit in the virtual environment with this procedure
<https://indiayouthtechtips.blogspot.de/2017/11/rdkit-installation-in-virtual.html>
.
But then it is not working completely and getting following errors with
ctest
_____________________________________
ctest
Test project /home/CD/CLPB/VEs/VM1/RDKit/build
Start 1: testDict
1/130 Test #1: testDict ........................... Passed 0.87 sec
Start 2: testRDValue
2/130 Test #2: testRDValue ........................ Passed 0.00 sec
Start 3: testDataStructs
3/130 Test #3: testDataStructs .................... Passed 0.00 sec
Start 4: testFPB
4/130 Test #4: testFPB ............................ Passed 0.00 sec
Start 5: testMultiFPB
5/130 Test #5: testMultiFPB ....................... Passed 0.00 sec
Start 6: pyBV
6/130 Test #6: pyBV ...............................***Failed 0.01 sec
Start 7: pyDiscreteValueVect
7/130 Test #7: pyDiscreteValueVect ................***Failed 0.01 sec
Start 8: pySparseIntVect
8/130 Test #8: pySparseIntVect ....................***Failed 0.01 sec
Start 9: pyFPB
9/130 Test #9: pyFPB ..............................***Failed 0.01 sec
Start 10: testTransforms
10/130 Test #10: testTransforms ..................... Passed 0.00 sec
Start 11: testGrid
11/130 Test #11: testGrid ........................... Passed 0.01 sec
Start 12: testPyGeometry
12/130 Test #12: testPyGeometry .....................***Failed 0.01 sec
Start 13: testMatrices
13/130 Test #13: testMatrices ....................... Passed 0.00 sec
Start 14: testAlignment
14/130 Test #14: testAlignment ...................... Passed 0.00 sec
Start 15: pyAlignment
15/130 Test #15: pyAlignment ........................***Failed 0.01 sec
Start 16: testOptimizer
16/130 Test #16: testOptimizer ...................... Passed 0.00 sec
Start 17: testUFFForceField
17/130 Test #17: testUFFForceField .................. Passed 0.03 sec
Start 18: testMMFFForceField
18/130 Test #18: testMMFFForceField ................. Passed 7.32 sec
Start 19: pyForceFieldConstraints
19/130 Test #19: pyForceFieldConstraints ............***Failed 0.01 sec
Start 20: testDistGeom
20/130 Test #20: testDistGeom ....................... Passed 0.01 sec
Start 21: pyDistGeom
21/130 Test #21: pyDistGeom .........................***Failed 0.04 sec
Start 22: graphmolTest1
22/130 Test #22: graphmolTest1 ...................... Passed 0.05 sec
Start 23: graphmolcpTest
23/130 Test #23: graphmolcpTest ..................... Passed 0.01 sec
Start 24: graphmolqueryTest
24/130 Test #24: graphmolqueryTest .................. Passed 0.01 sec
Start 25: graphmolMolOpsTest
25/130 Test #25: graphmolMolOpsTest ................. Passed 1.12 sec
Start 26: graphmoltestCanon
26/130 Test #26: graphmoltestCanon .................. Passed 0.00 sec
Start 27: graphmoltestChirality
27/130 Test #27: graphmoltestChirality .............. Passed 0.02 sec
Start 28: graphmoltestPickler
28/130 Test #28: graphmoltestPickler ................ Passed 0.12 sec
Start 29: graphmoltestPicklerGlobalSetting
29/130 Test #29: graphmoltestPicklerGlobalSetting ... Passed 0.01 sec
Start 30: graphmolIterTest
30/130 Test #30: graphmolIterTest ................... Passed 0.01 sec
Start 31: hanoiTest
31/130 Test #31: hanoiTest .......................... Passed 11.86 sec
Start 32: graphmolMemTest1
32/130 Test #32: graphmolMemTest1 ................... Passed 0.00 sec
Start 33: resMolSupplierTest
33/130 Test #33: resMolSupplierTest ................. Passed 0.30 sec
Start 34: molBundleTest
34/130 Test #34: molBundleTest ...................... Passed 0.01 sec
Start 35: testDepictor
35/130 Test #35: testDepictor ....................... Passed 0.16 sec
Start 36: pyDepictor
36/130 Test #36: pyDepictor .........................***Failed 0.04 sec
Start 37: smiTest1
37/130 Test #37: smiTest1 ........................... Passed 0.10 sec
Start 38: cxsmilesTest
38/130 Test #38: cxsmilesTest ....................... Passed 0.01 sec
Start 39: smaTest1
39/130 Test #39: smaTest1 ........................... Passed 0.45 sec
Start 40: fileParsersTest1
40/130 Test #40: fileParsersTest1 ................... Passed 6.11 sec
Start 41: testMolSupplier
41/130 Test #41: testMolSupplier .................... Passed 0.07 sec
Start 42: testMolWriter
42/130 Test #42: testMolWriter ...................... Passed 0.13 sec
Start 43: testTplParser
43/130 Test #43: testTplParser ...................... Passed 0.01 sec
Start 44: testMol2ToMol
44/130 Test #44: testMol2ToMol ...................... Passed 0.01 sec
Start 45: testSequence
45/130 Test #45: testSequence ....................... Passed 0.02 sec
Start 46: testSubstructMatch
46/130 Test #46: testSubstructMatch ................. Passed 0.27 sec
Start 47: testReaction
47/130 Test #47: testReaction ....................... Passed 0.10 sec
Start 48: testReactionFingerprints
48/130 Test #48: testReactionFingerprints ........... Passed 0.01 sec
Start 49: testEnumeration
49/130 Test #49: testEnumeration ....................***Exception:
SegFault 0.09 sec
Start 50: pyChemReactions
50/130 Test #50: pyChemReactions ....................***Failed 0.03 sec
Start 51: pyChemReactionEnumerations
51/130 Test #51: pyChemReactionEnumerations .........***Failed 0.01 sec
Start 52: pyChemReactionSanitize
52/130 Test #52: pyChemReactionSanitize .............***Failed 0.01 sec
Start 53: testChemTransforms
53/130 Test #53: testChemTransforms ................. Passed 0.04 sec
Start 54: testSubgraphs1
54/130 Test #54: testSubgraphs1 ..................... Passed 0.14 sec
Start 55: testSubgraphs2
55/130 Test #55: testSubgraphs2 ..................... Passed 0.01 sec
Start 56: filterCatalogTest
56/130 Test #56: filterCatalogTest .................. Passed 0.05 sec
Start 57: pyFilterCatalog
57/130 Test #57: pyFilterCatalog ....................***Failed 0.03 sec
Start 58: testFragCatalog
58/130 Test #58: testFragCatalog .................... Passed 0.37 sec
Start 59: pyFragCatalog
59/130 Test #59: pyFragCatalog ......................***Failed 0.01 sec
Start 60: testDescriptors
60/130 Test #60: testDescriptors .................... Passed 1.53 sec
Start 61: testPBF
61/130 Test #61: testPBF ............................ Passed 0.11 sec
Start 62: testRDF
62/130 Test #62: testRDF ............................ Passed 0.30 sec
Start 63: testMORSE
63/130 Test #63: testMORSE .......................... Passed 0.48 sec
Start 64: test3D
64/130 Test #64: test3D ............................. Passed 0.25 sec
Start 65: testWHIM
65/130 Test #65: testWHIM ........................... Passed 0.19 sec
Start 66: testGETAWAY
66/130 Test #66: testGETAWAY ........................ Passed 0.69 sec
Start 67: testAUTOCORR3D
67/130 Test #67: testAUTOCORR3D ..................... Passed 0.18 sec
Start 68: testAUTOCORR2D
68/130 Test #68: testAUTOCORR2D ..................... Passed 0.17 sec
Start 69: pyMolDescriptors
69/130 Test #69: pyMolDescriptors ...................***Failed 0.01 sec
Start 70: pyMolDescriptors3D
70/130 Test #70: pyMolDescriptors3D .................***Failed 0.01 sec
Start 71: testFingerprints
71/130 Test #71: testFingerprints ................... Passed 3.41 sec
Start 72: testPartialCharges
72/130 Test #72: testPartialCharges ................. Passed 0.01 sec
Start 73: pyPartialCharges
73/130 Test #73: pyPartialCharges ...................***Failed 0.01 sec
Start 74: testMolTransforms
74/130 Test #74: testMolTransforms .................. Passed 0.01 sec
Start 75: pyMolTransforms
75/130 Test #75: pyMolTransforms ....................***Failed 0.01 sec
Start 76: testMMFFForceFieldHelpers
76/130 Test #76: testMMFFForceFieldHelpers .......... Passed 4.63 sec
Start 77: testUFFForceFieldHelpers
77/130 Test #77: testUFFForceFieldHelpers ........... Passed 5.51 sec
Start 78: testCrystalForceField
78/130 Test #78: testCrystalForceField .............. Passed 0.02 sec
Start 79: pyForceFieldHelpers
79/130 Test #79: pyForceFieldHelpers ................***Failed 0.01 sec
Start 80: testDistGeomHelpers
80/130 Test #80: testDistGeomHelpers ................ Passed 25.08 sec
Start 81: pyDistGeom
81/130 Test #81: pyDistGeom .........................***Failed 0.04 sec
Start 82: testMolAlign
82/130 Test #82: testMolAlign ....................... Passed 44.46 sec
Start 83: pyMolAlign
83/130 Test #83: pyMolAlign .........................***Failed 0.01 sec
Start 84: testFeatures
84/130 Test #84: testFeatures ....................... Passed 0.01 sec
Start 85: pyChemicalFeatures
85/130 Test #85: pyChemicalFeatures .................***Failed 0.01 sec
Start 86: testShapeHelpers
86/130 Test #86: testShapeHelpers ................... Passed 0.01 sec
Start 87: pyShapeHelpers
87/130 Test #87: pyShapeHelpers .....................***Failed 0.01 sec
Start 88: testMolCatalog
88/130 Test #88: testMolCatalog ..................... Passed 0.01 sec
Start 89: pyMolCatalog
89/130 Test #89: pyMolCatalog .......................***Failed 0.01 sec
Start 90: moldraw2DTest1
90/130 Test #90: moldraw2DTest1 ..................... Passed 0.70 sec
Start 91: moldraw2DRxnTest1
91/130 Test #91: moldraw2DRxnTest1 .................. Passed 0.02 sec
Start 92: pyMolDraw2D
92/130 Test #92: pyMolDraw2D ........................***Failed 0.01 sec
Start 93: testFMCS
93/130 Test #93: testFMCS ........................... Passed 0.35 sec
Start 94: pyFMCS
94/130 Test #94: pyFMCS .............................***Failed 0.01 sec
Start 95: FMCStest
95/130 Test #95: FMCStest ........................... Passed 0.01 sec
Start 96: testMolHash
96/130 Test #96: testMolHash ........................ Passed 0.03 sec
Start 97: pyMolHash
97/130 Test #97: pyMolHash ..........................***Failed 0.01 sec
Start 98: testMMPA
98/130 Test #98: testMMPA ........................... Passed 0.06 sec
Start 99: pyMMPA
99/130 Test #99: pyMMPA .............................***Failed 0.01 sec
Start 100: testStructChecker
100/130 Test #100: testStructChecker .................. Passed 0.03 sec
Start 101: pyStructChecker
101/130 Test #101: pyStructChecker ....................***Failed 0.01 sec
Start 102: testReducedGraphs
102/130 Test #102: testReducedGraphs .................. Passed 0.01 sec
Start 103: pyReducedGraphs
103/130 Test #103: pyReducedGraphs ....................***Failed 0.01 sec
Start 104: trajectoryTest
104/130 Test #104: trajectoryTest ..................... Passed 0.14 sec
Start 105: substructLibraryTest
105/130 Test #105: substructLibraryTest ............... Passed 0.16 sec
Start 106: pySubstructLibrary
106/130 Test #106: pySubstructLibrary .................***Failed 0.02 sec
Start 107: testRGroupDecomp
107/130 Test #107: testRGroupDecomp ................... Passed 0.08 sec
Start 108: pyRGroupDecomposition
108/130 Test #108: pyRGroupDecomposition ..............***Failed 0.01 sec
Start 109: testSLNParse
109/130 Test #109: testSLNParse ....................... Passed 0.54 sec
Start 110: pySLNParse
110/130 Test #110: pySLNParse .........................***Failed 0.01 sec
Start 111: pyGraphMolWrap
111/130 Test #111: pyGraphMolWrap .....................***Failed 0.05 sec
Start 112: pyTestConformerWrap
112/130 Test #112: pyTestConformerWrap ................***Failed 0.01 sec
Start 113: pyTestTrajectory
113/130 Test #113: pyTestTrajectory ...................***Failed 0.01 sec
Start 114: pyTestThreads
114/130 Test #114: pyTestThreads ......................***Failed 0.01 sec
Start 115: testQuery
115/130 Test #115: testQuery .......................... Passed 0.00 sec
Start 116: testMatCalc
116/130 Test #116: testMatCalc ........................ Passed 0.00 sec
Start 117: pyMatCalc
117/130 Test #117: pyMatCalc ..........................***Failed 0.01 sec
Start 118: testSimDivPickers
118/130 Test #118: testSimDivPickers .................. Passed 0.00 sec
Start 119: pySimDivPickers
119/130 Test #119: pySimDivPickers ....................***Failed 0.01 sec
Start 120: pyRanker
120/130 Test #120: pyRanker ...........................***Failed 0.04 sec
Start 121: testChemicalFeatures
121/130 Test #121: testChemicalFeatures ............... Passed 0.00 sec
Start 122: pyFeatures
122/130 Test #122: pyFeatures .........................***Failed 0.01 sec
Start 123: pythonTestDbCLI
123/130 Test #123: pythonTestDbCLI ....................***Failed 0.01 sec
Start 124: pythonTestDirML
124/130 Test #124: pythonTestDirML ....................***Failed 0.01 sec
Start 125: pythonTestDirDataStructs
125/130 Test #125: pythonTestDirDataStructs ...........***Failed 0.01 sec
Start 126: pythonTestDirDbase
126/130 Test #126: pythonTestDirDbase .................***Failed 0.01 sec
Start 127: pythonTestDirSimDivFilters
127/130 Test #127: pythonTestDirSimDivFilters .........***Failed 0.01 sec
Start 128: pythonTestDirVLib
128/130 Test #128: pythonTestDirVLib ..................***Failed 0.01 sec
Start 129: pythonTestDirChem
129/130 Test #129: pythonTestDirChem ..................***Failed 0.01 sec
Start 130: pythonTestSping
130/130 Test #130: pythonTestSping ....................***Failed 0.01 sec
62% tests passed, 50 tests failed out of 130
Total Test time (real) = 119.77 sec
The following tests FAILED:
6 - pyBV (Failed)
7 - pyDiscreteValueVect (Failed)
8 - pySparseIntVect (Failed)
9 - pyFPB (Failed)
12 - testPyGeometry (Failed)
15 - pyAlignment (Failed)
19 - pyForceFieldConstraints (Failed)
21 - pyDistGeom (Failed)
36 - pyDepictor (Failed)
49 - testEnumeration (SEGFAULT)
50 - pyChemReactions (Failed)
51 - pyChemReactionEnumerations (Failed)
52 - pyChemReactionSanitize (Failed)
57 - pyFilterCatalog (Failed)
59 - pyFragCatalog (Failed)
69 - pyMolDescriptors (Failed)
70 - pyMolDescriptors3D (Failed)
73 - pyPartialCharges (Failed)
75 - pyMolTransforms (Failed)
79 - pyForceFieldHelpers (Failed)
81 - pyDistGeom (Failed)
83 - pyMolAlign (Failed)
85 - pyChemicalFeatures (Failed)
87 - pyShapeHelpers (Failed)
89 - pyMolCatalog (Failed)
92 - pyMolDraw2D (Failed)
94 - pyFMCS (Failed)
97 - pyMolHash (Failed)
99 - pyMMPA (Failed)
101 - pyStructChecker (Failed)
103 - pyReducedGraphs (Failed)
106 - pySubstructLibrary (Failed)
108 - pyRGroupDecomposition (Failed)
110 - pySLNParse (Failed)
111 - pyGraphMolWrap (Failed)
112 - pyTestConformerWrap (Failed)
113 - pyTestTrajectory (Failed)
114 - pyTestThreads (Failed)
117 - pyMatCalc (Failed)
119 - pySimDivPickers (Failed)
120 - pyRanker (Failed)
122 - pyFeatures (Failed)
123 - pythonTestDbCLI (Failed)
124 - pythonTestDirML (Failed)
125 - pythonTestDirDataStructs (Failed)
126 - pythonTestDirDbase (Failed)
127 - pythonTestDirSimDivFilters (Failed)
128 - pythonTestDirVLib (Failed)
129 - pythonTestDirChem (Failed)
130 - pythonTestSping (Failed)
Errors while running CTest
____________________________________
What could have went wrong?
Regards,
Kiran
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