Re: [Rdkit-devel] Fwd: [Rdkit-discuss] Help wanted: packaging the RDKit

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

Dear Michael

On Sat, Sep 3, 2011 at 2:08 PM, Michael Banck <mb...@de...> wrote:
>
> I have uploaded rdkit packages to Debian today, they are pending archive
> admin review.

Wow, fantastic. Thanks!

> I am slightly worried about the copyright in Data/Crippen.txt ("All
> Rights Reserved"), but hopefully it will pass and should be available in
> the near future.  You could consider making that one similar to the
> other Code boilerplate ("The contents are covered by the terms of the
> BSD license...") if you have control over the content.

I just checked in changes to the data files so that they include the
license information. Thanks for pointing out the oversight.

> About the libraries in /usr/lib, are they supposed to be used by 3rd
> party programs, or meant internally for the python shared objects?  I
> looked into linking them statically into the python objects, but a
> comment about exception handling made be reconsider.

They do need to be shared libraries in order for both exception
handling and cross-module use of objects to work.

> Some of the library names are quite generic ("libCatalogs") and this
> might make trouble (i.e. file name clashes with other Debian packages).
> One option would be to rename them so they all have an RD prefix
> (thought depending on how many external users there are, this should be
> scheduled for a SOVERSION bump I guess), or support having them in e.g.
> /usr/lib/rdkit/, outside of the standard linker library search path (and
> hardcode that location into the python shared objects at build-time via
> RPATH or similar).  I just ship them in /usr/lib for now.

If there is a problem with the naming, I would definitely prefer the
/usr/lib/rdkit solution to renaming the files.

FYI: I will be on vacation from later today until the last week of
September, so replies from me will be either slow or non-existent
until then.

Best Regards,
-greg