Dear Hans,
On Mon, Jul 18, 2011 at 8:17 PM, Hans De Winter <[email protected]> wrote:
> Dear all,
>
> a rather newby question on compiling/linking on C++ sources using the RDKit
> API: does anyone has an example CMakeLists.txt file that I can use to get all
> the parameters right (I already succesfully installed RDKit and the python
> bindings on my OS X system - I now want to compile/link my own C++ code)?
>
hmm, that's an interesting question.
It's easy if your code is integrated in the RDKit source tree, but
that's not what you're asking for...
There's not a FindRDKit.cmake script yet, so you're going to have to
roll your own a bit.
Probably the best place to look for examples of what's required are the files:
$RDBASE/Code/PgSQL/rdkit/Makefile
and
$RDBASE/Code/Demos/RDKit/Draw/Makefile
Those are clearly linux/macos specific, but they show what parameters
you need to provide:
CPPFLAGS = -I${BOOSTHOME} -I${RDBASE}/Code
and:
LDFLAGS = -L${RDBASE}/lib -lSmilesParse_static \
-lDepictor_static -lSubstructMatch_static -lSubgraphs_static
-lGraphMol_static -lDataStructs_static -lRDGeometryLib_static
-lRDGeneral_static
where, of course, that list of libraries is determined by which pieces
of the RDKit you are using.
If you want to dynamically link (recommended), you can drop the
_static part of the library names.
I'm happy to help here as possible.
-greg
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