Re: [Rdkit-discuss] contrib code not compiling

[Rajarshi Guha]

My mistake - I realized that the PBF descriptor is part of the main codebase

On Tue, Nov 20, 2018 at 5:20 AM Andrew Dalke 
wrote:

> On Nov 19, 2018, at 04:17, Rajarshi Guha  wrote:
> > Hi, I check out the latest RDKit sources from master and I'm trying to
> compile the PBF.  However, the compilation fails reporting that
> RDGeneral/export.h is missing:
>
> While this doesn't answer the question, it seems to be coupled to
>
>   https://github.com/rdkit/rdkit/issues/1903
>
> > (I haven't compiled RDKit as I already have it installed via conda)
>
> It appears that 'export.h' is created during the "cmake" step. That file
> is an 'auto-generated __declspec definition header'.
>
> Andrew
> da...@dalkescientific.com
>
>
>
>
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Re: [Rdkit-discuss] contrib code not compiling

[Andrew Dalke]

On Nov 19, 2018, at 04:17, Rajarshi Guha  wrote:
> Hi, I check out the latest RDKit sources from master and I'm trying to 
> compile the PBF.  However, the compilation fails reporting that 
> RDGeneral/export.h is missing:

While this doesn't answer the question, it seems to be coupled to

  https://github.com/rdkit/rdkit/issues/1903

> (I haven't compiled RDKit as I already have it installed via conda)

It appears that 'export.h' is created during the "cmake" step. That file is an 
'auto-generated __declspec definition header'.

Andrew
da...@dalkescientific.com




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[Rdkit-discuss] contrib code not compiling

[Rajarshi Guha]

Hi, I check out the latest RDKit sources from master and I'm trying to
compile the PBF.  However, the compilation fails reporting
that RDGeneral/export.h is missing:

(rdkit) PBF guha$ make

c++ -O2 -I/usr/local/include -I/Users/guha/src/rdkit/Code -Wno-deprecated
-I/usr/local/include/eigen3 -DUSE_EIGEN2  -c -o demo.o demo.cpp

In file included from demo.cpp:12:

/Users/guha/src/rdkit/Code/RDGeneral/Invariant.h:12:10: fatal error:
'RDGeneral/export.h'
file not found

#include 

 ^~~~

1 error generated.

make: *** [demo.o] Error 1

(I haven't compiled RDKit as I already have it installed via conda)

-- 
Rajarshi Guha | http://blog.rguha.net | @rguha 
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