Hi all,
If someone has an insight I would love to hear it about how best to build
RDKit from scratch.
I am using the following to build the 2015.03 release:
RedHat Linux version 6.4
gcc version 4.4.7 20120313 (Red Hat 4.4.7-11) (GCC)
swig version 3.0.8
cmake version 3.0.0
boost version 1.53.0 (I've also tried boost 1.59.0)
python version 2.7.7
I use ccmake and alter the things which need to be altered (as cmake always
grabs the wrong things for me). My build compiles nicely, and without
errors. But the tests are a mess. Here is the summary of my build:
26% tests passed, 87 tests failed out of 118
I've put the details of the tests, in the hope that someone sees a pattern
that I do not, below.
Before someone recommends a clean install that is not possible. I also do
not have root, so I can't just wipe the machine and start over. I cannot
use an RPM, so that is out too. Any ideas are welcome!
Thanks,
Matthew
The following tests FAILED:
2 - testDataStructs (OTHER_FAULT)
3 - pyBV (Failed)
4 - pyDiscreteValueVect (Failed)
5 - pySparseIntVect (Failed)
7 - testGrid (OTHER_FAULT)
8 - testPyGeometry (Failed)
11 - pyAlignment (Failed)
14 - testMMFFForceField (OTHER_FAULT)
15 - pyForceFieldConstraints (Failed)
17 - pyDistGeom (Failed)
18 - graphmolTest1 (OTHER_FAULT)
21 - graphmolMolOpsTest (SEGFAULT)
23 - graphmoltestChirality (OTHER_FAULT)
24 - graphmoltestPickler (OTHER_FAULT)
26 - hanoiTest (OTHER_FAULT)
28 - testDepictor (OTHER_FAULT)
29 - pyDepictor (Failed)
32 - fileParsersTest1 (OTHER_FAULT)
33 - testMolSupplier (OTHER_FAULT)
34 - testMolWriter (OTHER_FAULT)
35 - testTplParser (OTHER_FAULT)
36 - testMol2ToMol (OTHER_FAULT)
38 - testReaction (OTHER_FAULT)
40 - pyChemReactions (Failed)
41 - testChemTransforms (OTHER_FAULT)
44 - testFragCatalog (OTHER_FAULT)
45 - pyFragCatalog (Failed)
46 - testDescriptors (OTHER_FAULT)
47 - pyMolDescriptors (Failed)
48 - testFingerprints (OTHER_FAULT)
50 - pyPartialCharges (Failed)
51 - testMolTransforms (OTHER_FAULT)
52 - pyMolTransforms (Failed)
53 - testMMFFForceFieldHelpers (OTHER_FAULT)
54 - testUFFForceFieldHelpers (OTHER_FAULT)
55 - pyForceFieldHelpers (Failed)
56 - testDistGeomHelpers (OTHER_FAULT)
57 - pyDistGeom (Failed)
58 - testMolAlign (OTHER_FAULT)
59 - pyMolAlign (Failed)
60 - testFeatures (OTHER_FAULT)
61 - pyChemicalFeatures (Failed)
62 - testShapeHelpers (OTHER_FAULT)
63 - pyShapeHelpers (Failed)
65 - pyMolCatalog (Failed)
66 - moldraw2DTest1 (OTHER_FAULT)
67 - pyMolDraw2D (Failed)
69 - pyFMCS (Failed)
72 - pyMolHash (Failed)
74 - pySLNParse (Failed)
75 - pyGraphMolWrap (Failed)
76 - pyTestConformerWrap (Failed)
79 - pyMatCalc (Failed)
80 - pySimDivPickers (Failed)
81 - pyRanker (Failed)
83 - pyFeatures (Failed)
84 - JavaAromaticTests (Failed)
85 - JavaAtomPairsTests (Failed)
86 - JavaBasicMoleculeTests (Failed)
87 - JavaBasicMolecule2Tests (Failed)
88 - JavaChemAtomTests (Failed)
89 - JavaChemBondTests (Failed)
90 - JavaChemReactionTests (Failed)
91 - JavaChemSmartsTests (Failed)
92 - JavaChemTests (Failed)
93 - JavaChemv2Tests (Failed)
94 - JavaConformerTests (Failed)
95 - JavaDescriptorTests (Failed)
96 - JavaDistanceGeometryTests (Failed)
97 - JavaErrorHandlingTests (Failed)
98 - JavaFingerprintsTests (Failed)
99 - JavaForceFieldsTests (Failed)
100 - JavaHManipulationsTests (Failed)
101 - JavaLipinskiTests (Failed)
102 - JavaPicklingTests (Failed)
103 - JavaSmilesCreationTests (Failed)
104 - JavaSmilesDetailsTests (Failed)
105 - JavaSmilesTests (Failed)
106 - JavaSuppliersTests (Failed)
107 - JavaWrapperTests (Failed)
108 - JavaChemTransformsTests (Failed)
109 - JavaFMCSTests (Failed)
110 - JavaPDBTests (Failed)
111 - JavaAlignTests (Failed)
112 - pythonTestDbCLI (Failed)
113 - pythonTestDirML (Failed)
118 - pythonTestDirChem (Failed)
Errors while running CTest
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