This worked after setting the PYTHONPATH  and installing pandas.

so the blog is completely ready if someone wants to use.

On 5 November 2017 at 12:49, Kiran Telukunta <kiran.telukunta@indiayouth.
info> wrote:

> 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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