Re: [Rdkit-discuss] install error

[Yingfeng W. <ywa...@gm...>]

Yes, I did.

export RDBASE=/opt/RDKit_latest/latest
export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH
export PYTHONPATH=$RDBASE:$PYTHONPATH

I put them on ~/.bashrc


On Wed, Jun 5, 2013 at 10:53 AM, Jan Holst Jensen <ja...@bi...>wrote:

>  Hi Yingfeng,
>
> Looks like what happened to me, when I had forgotten to set the
> environment. Did you set LD_LIBRARY_PATH to $RDBASE/lib before running the
> tests ?
>
> Kind regards
> -- Jan Holst Jensen
>
>
> On 2013-06-05 16:09, Yingfeng Wang wrote:
>
> Yes. I tried again. This time,
>
>  after run download-inchi.sh
>
>  I
>  mkdir build
> cd build
> sudo cmake .. -DRDK_BUILD_INCHI_SUPPORT=ON
> sudo make
> sudo make install
>
>  by far, no error reported.
>
>  but, when I run sudo ctest
>
>  I got
>
>  The following tests FAILED:
>   1 - testInchi (OTHER_FAULT)
>   3 - testDataStructs (OTHER_FAULT)
>   4 - pyBV (Failed)
>   5 - pyDiscreteValueVect (Failed)
>   6 - pySparseIntVect (Failed)
>   8 - testGrid (OTHER_FAULT)
>   9 - testPyGeometry (Failed)
>  12 - pyAlignment (Failed)
>  16 - pyDistGeom (Failed)
>  20 - graphmolMolOpsTest (SEGFAULT)
>  22 - graphmoltestChirality (OTHER_FAULT)
>  23 - graphmoltestPickler (OTHER_FAULT)
>  25 - testDepictor (OTHER_FAULT)
>  26 - pyDepictor (Failed)
>  29 - fileParsersTest1 (OTHER_FAULT)
>  30 - testMolSupplier (OTHER_FAULT)
>  31 - testMolWriter (OTHER_FAULT)
>  32 - testTplParser (OTHER_FAULT)
>  33 - testMol2ToMol (OTHER_FAULT)
>  35 - testReaction (OTHER_FAULT)
>  36 - pyChemReactions (Failed)
>  37 - testChemTransforms (OTHER_FAULT)
>  40 - testFragCatalog (OTHER_FAULT)
>  41 - pyFragCatalog (Failed)
>  42 - testDescriptors (OTHER_FAULT)
>  43 - pyMolDescriptors (Failed)
>  44 - testFingerprints (OTHER_FAULT)
>  45 - pyPartialCharges (Failed)
>  46 - testMolTransforms (OTHER_FAULT)
>  47 - pyMolTransforms (Failed)
>  48 - testForceFieldHelpers (OTHER_FAULT)
>  49 - pyForceFieldHelpers (Failed)
>  50 - testDistGeomHelpers (OTHER_FAULT)
>  51 - pyDistGeom (Failed)
>  52 - testMolAlign (OTHER_FAULT)
>  53 - pyMolAlign (Failed)
>  54 - testFeatures (OTHER_FAULT)
>  55 - pyChemicalFeatures (Failed)
>  56 - testShapeHelpers (OTHER_FAULT)
>  57 - pyShapeHelpers (Failed)
>  59 - pyMolCatalog (Failed)
>  61 - pySLNParse (Failed)
>  62 - pyGraphMolWrap (Failed)
>  63 - pyTestConformerWrap (Failed)
>  66 - pyMatCalc (Failed)
>  67 - pyCMIM (Failed)
>  68 - pyRanker (Failed)
>  70 - pyFeatures (Failed)
>  71 - pythonTestDbCLI (Failed)
>  72 - pythonTestDirML (Failed)
>  77 - pythonTestDirChem (Failed)
> Errors while running CTest
>
>  Thanks.
>
>
>
> On Wed, Jun 5, 2013 at 5:54 AM, JP <jea...@in...> wrote:
>
>> mmmm,
>>
>>  Before running cmake - have you
>> run ./External/INCHI-API/download-inchi.sh ?
>>
>>
>>
>>
>>   On 5 June 2013 04:13, Yingfeng Wang <ywa...@gm...> wrote:
>>
>>>  After getting the latest code by git, I install RDKit on my ubuntu
>>> 12.04.
>>>
>>>  In the step of make install, I got
>>>
>>>  CMake Error at External/INCHI-API/cmake_install.cmake:124 (FILE):
>>>
>>>  It seems the file $RDBASE/lib/libRDInchiLib.so.1.2013.06.1pre can't be
>>> found. Please note that I have turned on the flag of inchi.
>>>
>>>  Thanks.
>>>
>>>  Yingfeng
>>>
>>>
>