Re: [Rdkit-devel] Beta of Q2 2011 Release Available

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

I think we're about there now.
The current svn version has a new configuration flag
(RDK_BUILD_INCHI_SUPPORT) that toggles inclusion of the inchi
wrappers. It defaults to OFF.
If this is set:
   - if $RDBASE/External/INCHI-API/src contains the inchi code, the
local copy will be used.
   - otherwise if a system version is found (using a copy of the
openbabel findinchi.cmake file), that will be used.
   - otherwise a warning will be issued and the use_inchi flag will be
switched off.
In any case the appropriate version of the file inchi.py will be
created in the rdkit/Chem directory at build time.

This ought to all work for in-source and out-of-source builds and
seems to also work with make install

I'd really like to get this release finished soon. Gianluca: can you
please take a look and see if what's there now works for the
packaging?

Thanks,
-greg