Re: [Rdkit-devel] find_package(RDKit)

[Greg L. <gre...@gm...>]

Riccardo,

Thanks for doing this! This is a piece that has been missing for a
while and it's nice to see someone taking a crack at it. I will take a
look at the patch over the next couple of days, ask whatever questions
I have, and then integrate it.

-greg


On Thu, Aug 4, 2011 at 12:15 AM, Riccardo Vianello
<ric...@gm...> wrote:
> Hello all,
>
> I made a few changes to the cmake list files of a local snapshot
> (r1814), working on introducing support for package configuration
> files. As recently mentioned on the mailing lists, building 3rd party
> C++ projects that use rdkit would be easier if cmake's 'find_package'
> command were able to locate the rdkit headers and libraries. For a
> generic XYZ software package, find_package most often relies on the
> availability of an independently provided FindXYZ.cmake module, but
> when a project is already built with cmake, as is the case for rdkit,
> the build process can be instructed to export analogous information
> into configuration files to be installed into a standard location
> (e.g. together with the library code).
>
> I'm attaching two rdkit-config*.cmake.in templates that should be
> placed into the rdkit top directory, and a small patch file. The patch
> mostly consists in additions directly related to the managements of
> the config files, but for one modification, that "promotes" the hc
> target (in Code/ML/Cluster/Murtagh/) from a build-time intermediate to
> an installed and exported build target (this was due to the target
> export process raising a blocking error due to SimDivPickers depending
> on hc which wasn't in turn exported.. I'm not yet sure if this is
> highlighting an issue in the rdkit build or a bug in cmake which is
> confused by the intermediate static library). The rest of the code is
> from a cmake documented example, with some very small adjustments.
>
> With these changes a few rdkit-*.cmake files are installed into the
> library directory and, for example,
> Code/Demos/RDKit/GettingStarted/sample.cpp should build with a list
> file similar to the following:
>
> # --8<--
> cmake_minimum_required (VERSION 2.6)
> project (Sample)
>
> find_package (RDKit 1.2011.09 REQUIRED)
>
> include_directories (${RDKit_INCLUDE_DIRS})
>
> add_executable (sample sample.cpp)
> target_link_libraries (sample ChemReactions
>                       # FileParsers SmilesParse Depictor etc...
>                       # all other dependencies already known to CMake
>                       # since the RDKit build process.
>                       )
> # --8<--
>
> I tested this on my Linux box, with the in-tree and $HOME installs, in
> both cases the config files location was provided on the command line
> as in
>
> $ cmake ../sample/ -DRDKit_DIR=/full/path/to/rdkit/installation/lib
>
> For the most part (the hc target above being the exception) these
> additions should not interfere with the existing build process, so
> they could be worth some quick testing on windows and/or mac (target
> export directives in RDKitUtils.cmake should be already present for
> the various platforms, but only linux/g++ was tested).
>
> Best Regards,
> Riccardo
>
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