conda-rdkit
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rdkit build fail
Trying to build RDKit and have got down to one failed test from six (improvement from adding pandas<0.2 to meta.yaml and using a Python 5.3 environment), but still have one failed test #111 'pythonTestDirML'.
Can anyone tell me how to solve it?
Currently using: Python 3.5.4 :: Anaconda custom (64-bit) conda-build 3.2.2 Ubuntu 16.04.3 LTS
Test output (all tests prior, pass):
### ```
108/116 Test #111: pythonTestDirML ..................***Failed 12.64 sec
.......
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Ran 7 tests in 0.681s
OK
............
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Ran 12 tests in 0.308s
OK
F
======================================================================
FAIL: test1_Issue163 (__main__.TestCase)
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Traceback (most recent call last):
File "UnitTestAnalyzeComposite.py", line 59, in test1_Issue163
self.assertTrue(res[0][0] == 'BALABANJ')
AssertionError: False is not true
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Ran 1 test in 0.043s
FAILED (failures=1)
...
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Ran 3 tests in 0.001s
OK
.......
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Ran 7 tests in 0.001s
OK
...
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Ran 3 tests in 0.353s
OK
....
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Ran 4 tests in 0.003s
OK
/home/marks/projects/MDC/anaconda3/conda-bld/rdkit_1516631519704/work/rdkit/ML/Data/DataUtils.py:199: FutureWarning: split() requires a non-empty pattern match.
resArr = expr2.split(inLine)[:-1]
.../home/marks/projects/MDC/anaconda3/conda-bld/rdkit_1516631519704/work/rdkit/ML/Data/DataUtils.py:163: FutureWarning: split() requires a non-empty pattern match.
resArr = expr2.split(inLine)
...
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Ran 6 tests in 0.004s
OK
............
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Ran 12 tests in 0.002s
OK
.....
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Ran 5 tests in 0.034s
OK
........
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Ran 8 tests in 0.001s
OK
testing AddChild:
testing GetName:
testing GetChildren:
testing PruneChild:
testing tree equals:
testing pickled tree equals:
testing deepcopy on trees:
testing list membership: ...
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Ran 3 tests in 0.103s
OK
use selection with replacement:
test the results of CrossValidation:
test that the CrossValidationDriver runs: ......
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Ran 6 tests in 0.019s
OK
testing basic tree growth:
testing basic tree classification:
testing multivalued tree growth:
testing basic tree growth (python entropy code):
testing tree classification (python entropy code):
testing multivalued tree growth (python entropy code): .
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Ran 1 test in 0.007s
OK
.........
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Ran 9 tests in 0.014s
OK
testing tree comparisons:
testing tree1:
testing tree2:
testing classification:
testing unused variables:
a more extensive test of the cmp stuff using hand-built trees:
a more extensive test of the cmp stuff using pickled trees:
try recycling descriptors:
try random forests descriptors: ....
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Ran 4 tests in 0.107s
OK
..
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Ran 2 tests in 0.002s
OK
testing calculation of a single descriptor:
testing calculation of multiple descriptors: ...
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Ran 3 tests in 0.009s
OK
..
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Ran 2 tests in 0.006s
OK
..
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Ran 2 tests in 0.299s
OK
....
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Ran 4 tests in 0.580s
OK
.....
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Ran 5 tests in 0.256s
OK
....
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Ran 4 tests in 0.010s
OK
...
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Ran 3 tests in 0.552s
OK
testing backprop training on and:
testing backprop training on a linear function:
testing backprop training on or: ..
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Ran 2 tests in 0.000s
OK
testing Burges empirical risk bound:
testing Cherkassky empirical risk bound: !!! TEST FAILURE: python UnitTestAnalyzeComposite.py {}
Start 112: pythonTestDirDataStructs
109/116 Test #83: moldraw2DTest1 ................... Passed 41.63 sec
Start 113: pythonTestDirDbase
110/116 Test #113: pythonTestDirDbase ............... Passed 1.21 sec
Start 114: pythonTestDirSimDivFilters
111/116 Test #112: pythonTestDirDataStructs ......... Passed 2.11 sec
Start 115: pythonTestDirVLib
112/116 Test #114: pythonTestDirSimDivFilters ....... Passed 0.70 sec
Start 116: pythonTestDirChem
113/116 Test #115: pythonTestDirVLib ................ Passed 3.21 sec
114/116 Test #110: pythonTestDbCLI .................. Passed 23.57 sec
115/116 Test #75: testMolAlign ..................... Passed 116.37 sec
116/116 Test #116: pythonTestDirChem ................ Passed 62.71 sec
99% tests passed, 1 tests failed out of 116
Total Test time (real) = 202.15 sec
The following tests FAILED:
111 - pythonTestDirML (Failed)
Errors while running CTest