Re: [Rdkit-discuss] RDKit Compile Issue

2017-06-21 Thread Paolo Tosco 
Hi Matthew,

Let's keep this off the list until it is solved. Is your RDBASE environment 
variable correctly set?

p.

> On 21 Jun 2017, at 20:59, Matthew Lardy  wrote:
> 
> Hi Paolo,
> 
> Here are the results from test #5:
> 
> test 5
> Start 5: testMultiFPB
> 
> 5: Test command: 
> /gne/research/workspace/lardym/rdkit-Release_2017_03_2/build/Code/DataStructs/testMultiFPB
> 5: Test timeout computed to be: 9.99988e+06
> 5: [12:58:03] ---
> 5:  Testing MultiFPBReader basics
> 5: [12:58:03] Finished
> 5: [12:58:03] ---
> 5:  Testing MultiFPBReader Tanimoto
> 5: [12:58:03] Finished
> 5: [12:58:03] ---
> 5:  Testing MultiFPBReader Tversky
> 5: [12:58:03] Finished
> 5: [12:58:03] ---
> 5:  Testing MultiFPBReader contains search
> 5: [12:58:03] Finished
> 5: [12:58:03] ---
> 5:  Testing MultiFPBReader Similarity Threaded
> 5: terminate called after throwing an instance of 'RDKit::BadFileException'
> 5:   what():  BadFileException
> 1/1 Test #5: testMultiFPB .***Exception: Other  0.20 sec
> 
> 0% tests passed, 1 tests failed out of 1
> 
> Total Test time (real) =   2.53 sec
> 
> The following tests FAILED:
>   5 - testMultiFPB (OTHER_FAULT)
> 
> 
> Matt
> 
>> On Wed, Jun 21, 2017 at 11:33 AM, Paolo Tosco  wrote:
>> Hi Matthew,
>> 
>> try running a couple of the failing tests in verbose mode:
>> 
>> ctest -I 5,5 -V
>> ctest -I 9,9 -V
>> 
>> I'd also suggest to check that your Boost libraries are in your 
>> LD_LIBRARY_PATH, as you have built your own.
>> 
>> Cheers,
>> p.
>> 
>> 
>>> On 06/21/17 19:17, Matthew Lardy wrote:
>>> Hi all,
>>> 
>>> I'm trying to get a new build for any version of RDKit from 2016_4 to the 
>>> most reccent release.  Everything builds correctly, but when I perform the 
>>> tests each version fails at the same place:
>>> 
>>> Start   5: testMultiFPB
>>>   5/116 Test   #5: testMultiFPB ...***Exception: Other  
>>> 0.12 sec
>>> Start   6: pyBV
>>>   6/116 Test   #6: pyBV ...   Passed3.65 sec
>>> Start   7: pyDiscreteValueVect
>>>   7/116 Test   #7: pyDiscreteValueVect    Passed2.18 sec
>>> Start   8: pySparseIntVect
>>>   8/116 Test   #8: pySparseIntVect    Passed2.41 sec
>>> Start   9: pyFPB
>>>   9/116 Test   #9: pyFPB ..***Failed2.16 sec
>>> 
>>> So here is what I'm using:
>>> Boost v.1.59
>>> CMake v 3.0.0
>>> Swig v 3.0.8
>>> CentOS 6 (yes, I know, it's terrible to build on)
>>> 
>>> I've looked through the test log, but nothing caught my eye.  Any ideas why 
>>> the testMultiFPB would fail?
>>> 
>>> Thanks!
>>> Matt
>>> 
>>> 
>>> --
>>> Check out the vibrant tech community on one of the world's most
>>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>>> 
>>> 
>>> ___
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>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>> 
>> 
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> 
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Re: [Rdkit-discuss] RDKit Compile Issue

2017-06-21 Thread Matthew Lardy 
Hi Paolo,

Here are the results from test #5:

test 5
Start 5: testMultiFPB

5: Test command:
/gne/research/workspace/lardym/rdkit-Release_2017_03_2/build/Code/DataStructs/testMultiFPB
5: Test timeout computed to be: 9.99988e+06
5: [12:58:03] ---
5:  Testing MultiFPBReader basics
5: [12:58:03] Finished
5: [12:58:03] ---
5:  Testing MultiFPBReader Tanimoto
5: [12:58:03] Finished
5: [12:58:03] ---
5:  Testing MultiFPBReader Tversky
5: [12:58:03] Finished
5: [12:58:03] ---
5:  Testing MultiFPBReader contains search
5: [12:58:03] Finished
5: [12:58:03] ---
5:  Testing MultiFPBReader Similarity Threaded
5: terminate called after throwing an instance of 'RDKit::BadFileException'
5:   what():  BadFileException
1/1 Test #5: testMultiFPB .***Exception: Other  0.20 sec

0% tests passed, 1 tests failed out of 1

Total Test time (real) =   2.53 sec

The following tests FAILED:
  5 - testMultiFPB (OTHER_FAULT)


Matt

On Wed, Jun 21, 2017 at 11:33 AM, Paolo Tosco  wrote:

> Hi Matthew,
>
> try running a couple of the failing tests in verbose mode:
>
> ctest -I 5,5 -V
> ctest -I 9,9 -V
>
> I'd also suggest to check that your Boost libraries are in your
> LD_LIBRARY_PATH, as you have built your own.
>
> Cheers,
> p.
>
>
> On 06/21/17 19:17, Matthew Lardy wrote:
>
> Hi all,
>
> I'm trying to get a new build for any version of RDKit from 2016_4 to the
> most reccent release.  Everything builds correctly, but when I perform the
> tests each version fails at the same place:
>
> Start   5: testMultiFPB
>   5/116 Test   #5: testMultiFPB ...***Exception:
> Other  0.12 sec
> Start   6: pyBV
>   6/116 Test   #6: pyBV ...   Passed3.65
> sec
> Start   7: pyDiscreteValueVect
>   7/116 Test   #7: pyDiscreteValueVect    Passed2.18
> sec
> Start   8: pySparseIntVect
>   8/116 Test   #8: pySparseIntVect    Passed2.41
> sec
> Start   9: pyFPB
>   9/116 Test   #9: pyFPB ..***Failed2.16
> sec
>
> So here is what I'm using:
> Boost v.1.59
> CMake v 3.0.0
> Swig v 3.0.8
> CentOS 6 (yes, I know, it's terrible to build on)
>
> I've looked through the test log, but nothing caught my eye.  Any ideas
> why the testMultiFPB would fail?
>
> Thanks!
> Matt
>
>
> --
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>
>
>
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>
>
>
> 
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Re: [Rdkit-discuss] RDKit Compile Issue

2017-06-21 Thread Paolo Tosco 

Hi Matthew,

try running a couple of the failing tests in verbose mode:

ctest -I 5,5 -V
ctest -I 9,9 -V

I'd also suggest to check that your Boost libraries are in your 
LD_LIBRARY_PATH, as you have built your own.


Cheers,
p.

On 06/21/17 19:17, Matthew Lardy wrote:

Hi all,

I'm trying to get a new build for any version of RDKit from 2016_4 to 
the most reccent release.  Everything builds correctly, but when I 
perform the tests each version fails at the same place:


Start   5: testMultiFPB
  5/116 Test   #5: testMultiFPB ...***Exception: 
Other  0.12 sec

Start   6: pyBV
  6/116 Test   #6: pyBV ... Passed3.65 sec
Start   7: pyDiscreteValueVect
  7/116 Test   #7: pyDiscreteValueVect  Passed2.18 sec
Start   8: pySparseIntVect
  8/116 Test   #8: pySparseIntVect  Passed2.41 sec
Start   9: pyFPB
  9/116 Test   #9: pyFPB ..***Failed
2.16 sec


So here is what I'm using:
Boost v.1.59
CMake v 3.0.0
Swig v 3.0.8
CentOS 6 (yes, I know, it's terrible to build on)

I've looked through the test log, but nothing caught my eye.  Any 
ideas why the testMultiFPB would fail?


Thanks!
Matt


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