Re: [Rdkit-discuss] Windows 10 conda build fails

2017-03-06 Thread Greg Landrum
Hi Bob,

On Tue, 7 Mar 2017 at 02:21, Bob Funchess  wrote:

> I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and
> it’s failing with the following error:
>

I will try to look into the specific problem over h next few days, but a
quick one: do you need to do the conda build yourself? If you aren't
modifying the RDKit then you can probably use one of the pre-built conda
packages


> PS the latest version of Anaconda has an more recent version of Python,
> which causes the boost build to fail utterly.
>

Yes, the new version includes Python 3.6, which requires a new boost build
and a couple of tweaks to the RDKit itself. We will do those before the
next release (in the next month, hopefully).

-greg



>
>
>
> --
>
> Bob Funchess, Ph.D.
> Kelaroo, Inc
>
> Director of Software Support & Development
> www.kelaroo.com
>
> bfunch...@kelaroo.com (858)
> 259-7561 x3
>
>
>
>
>
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[Rdkit-discuss] Windows 10 conda build fails

2017-03-06 Thread Bob Funchess
Hi All,



I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and
it’s failing with the following error:



   Creating library pyAvalonTools.lib and object pyAvalonTools.exp

pyAvalonTools.cpp.obj : error LNK2019: unresolved external symbol "class
ExplicitBitVect const volatile * __cdecl boost::get_pointer(class ExplicitBitVect const volatile *)"
(??$get_pointer@$$CDVExplicitBitVect@@@boost@@YAPEDVExplicitBitVect@@PEDV1@@Z)
referenced in function "public: static struct _object * __cdecl
boost::python::objects::make_instance_impl,class ExplicitBitVect>,struct
boost::python::objects::make_ptr_instance,class ExplicitBitVect> > >::execute >(class std::auto_ptr &)" (??$execute@V?$auto_ptr@VExplicitBitVect@@@std@
@@?$make_instance_impl@VExplicitBitVect@@U?$pointer_holder@V
?$auto_ptr@VExplicitBitVect@@@std@@VExplicitBitVect@@@objects@python@boost@
@U?$make_ptr_instance@VExplicitBitVect@@U?$pointer_holder@V
?$auto_ptr@VExplicitBitVect@@@std@@VExplicitBitVect@@@objects@python@boost@
@@345@@objects@python@boost@@SAPEAU_object@@AEAV?$auto_ptr@VExplicitBitVect
@@@std@@@Z)

..\..\..\rdkit\Avalon\pyAvalonTools.pyd : fatal error LNK1120: 1 unresolved
externals

LINK failed. with 1120

NMAKE : fatal error U1077:
'K:\Anaconda3\conda-bld\rdkit_1488846410627\_b_env\Library\bin\cmake.exe' :
return code '0x'

Stop.

NMAKE : fatal error U1077: '"C:\Program Files (x86)\Microsoft Visual Studio
14.0\VC\BIN\amd64\nmake.exe"' : return code '0x2'

Stop.

NMAKE : fatal error U1077: '"C:\Program Files (x86)\Microsoft Visual Studio
14.0\VC\BIN\amd64\nmake.exe"' : return code '0x2'

Stop.



Has anyone else seen this? It looks like the problem is with boost, but
“conda build boost” APPEARED to work okay.



Thanks,

Bob



PS the latest version of Anaconda has an more recent version of Python,
which causes the boost build to fail utterly.





--

Bob Funchess, Ph.D.Kelaroo,
Inc

Director of Software Support & Development
www.kelaroo.com

bfunch...@kelaroo.com (858)
259-7561 x3
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