Re: [Rdkit-discuss] compiling with the RDKit with cairo on Fedora

[Greg Landrum]

On Fri, Nov 4, 2016 at 10:40 AM, Gianluca Sforna  wrote:

>
> As a bonus, I also updated to 2016.03.5, I regularly miss those minor
> release (are they announced somewhere?)
>

Not really. I could do that either here or on rdkit-devel if there's demand
for it. Probably the best approach is via the github notification mechanism
(https://help.github.com/articles/about-notifications/)

-greg
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Re: [Rdkit-discuss] compiling with the RDKit with cairo on Fedora

[Gianluca Sforna]

On Tue, Nov 1, 2016 at 1:48 PM, Paul Emsley  wrote:
>
> Hi Greg and Gianluca (in particular),
>
> [meta: I think this is an RDKit issue rather than a Fedora one (I might be 
> wrong)]
>
> I installed rdkit-2016.03.2-6.fc24.x86_64 and now am trying to compile my 
> program with that.
>
> To do so, I include the flag -I/usr/include/rkdit
>
> When trying to use the include file MolDraw2DCairo.h, I get the error
>
> In file included from lbg-search.cc:37:0:  [1]
> /usr/include/rdkit/MolDraw2DCairo.h:18:42: fatal error: 
> GraphMol/MolDraw2D/MolDraw2D.h: No
> such file or directory
>   #include 
>
> /usr/include/rdkit/GraphMol/MolDraw2D does not exist. I think that
>MolDraw2D.h
>MolDraw2DSVG.h
>MolDraw2Dwx.h
>MolDraw2DUtils.h
> are being installed into the wrong directory.


Exactly:
$ sudo dnf repoquery -l rdkit-devel | grep 2D
/usr/include/rdkit/Geometry/Transform2D.h
/usr/include/rdkit/MolDraw2D.h
/usr/include/rdkit/MolDraw2DCairo.h
/usr/include/rdkit/MolDraw2DSVG.h
/usr/include/rdkit/MolDraw2DUtils.h
/usr/include/rdkit/MolDraw2Dwx.h
/usr/lib/libMolDraw2D.so
/usr/include/rdkit/Geometry/Transform2D.h
/usr/include/rdkit/MolDraw2D.h
/usr/include/rdkit/MolDraw2DCairo.h
/usr/include/rdkit/MolDraw2DSVG.h
/usr/include/rdkit/MolDraw2DUtils.h
/usr/include/rdkit/MolDraw2Dwx.h
/usr/lib64/libMolDraw2D.so


>
> i.e. in GraphMol/MolDraw2D/CMakeLists.txt
>
> rdkit_headers(MolDraw2D.h
>MolDraw2DSVG.h
>MolDraw2Dwx.h
>MolDraw2DUtils.h
> )
>
> needs added: DEST GraphMol/MolDraw2D
>
> (the current git master has the same)

I could not find this change, so I went ahead and created the patch.

Testing it in a new build right now.

-- 
Gianluca Sforna

http://plus.google.com/+gianlucasforna - http://twitter.com/giallu
Tinker Garage - http://tinkergarage.it

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