Re: [Rdkit-devel] CMake_28Sept2009 pull BLAS and LAPACK

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

On Fri, Oct 2, 2009 at 1:05 AM, Riccardo Vianello
<ric...@gm...> wrote:
>
>> I had to make a fair number of modifications due to the static linking
>> on windows, and it might be worth going back at some point and
>> cleaning things up, but what's there now seems to be functional.
>>
>> Let me know what you think.
>
> it's been a busy day and unfortunately I only had time for a quick
> tour.. in browsing a sample of the involved files, I had the
> impression that modifying almost every cmake listfile was most often
> required by making link-time dependencies explicit again, is that
> correct? There are of course other changes here and there, but they
> seem more localized and involve a more limited number of files...

Yes, the changes are almost all adding libraries that the various
regressions and python modules need to be linked against. The changes
end up being massively redundant, since for example linking against
GraphMol also requires RDGeneral and RDGeometryLib, but the
information does need to be provided.

I guess one possibility to make life easier would be to modify
rdkit_library so that it defines a new variable containing the new
library name along with that libraries dependencies and then using
those new variables for regressions. So something like:

rdkit_library(GraphMol
              Atom.cpp <clipped for clarity> Conformer.cpp
              LINK_LIBRARIES RDGeometryLib RDGeneral )

would define the new variable GraphMol_LIBS (or some such thing) that
could be used to replace:

rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES GraphMol
RDGeometryLib RDGeneral)

with:

rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES GraphMol_LIBS)

This would probably lead to a lot of redundancy for cmake to deal
with, since something like:

rdkit_test(graphmoltestCanon testCanon.cpp
           LINK_LIBRARIES SubstructMatch_LIBS SmilesParse_LIBS GraphMol_LIBS)

is going to expand to:

rdkit_test(graphmoltestCanon testCanon.cpp
           LINK_LIBRARIES SubstructMatch GraphMol RDGeometryLib
RDGeneral SmilesParse GraphMol RDGeometryLib RDGeneral  GraphMol
GraphMol RDGeometryLib RDGeneral )

but I would hope that cmake could deal with that.

What do you think?

-greg



>
> I hope to be able to provide a better feedback tomorrow..
>
> --
> Ric
>