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

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

Moving just to the -developers list.

On Thu, Jul 7, 2011 at 9:53 AM, Gianluca Sforna <gi...@gm...> wrote:
> On Fri, Jul 1, 2011 at 1:40 PM, Greg Landrum <gre...@gm...> wrote:
>
>> One highlight I will call your attention to is that, thanks to some
>> nice work from Eddie Cao, it is now possible to generate InChI codes
>> from within the RDKit :
>
> I just tried to build the beta into RPM packages; I've read that inchi
> support is optional, so I guess there is a new cmake switch to trigger
> it. However, all py* tests are now failing because "from inchi import
> *" gives an ImportError.

That's defniitely not what's supposed to happen (and isn't what
happens for me when doing the standard in-tree install).

> Probably I'm missing something obvious here, but given that import
> line is in rdkit/Chem/__init__.py  that means python bindings are
> basically unusable right now unless you also activate Inchi support.

If you don't do the inchi installation cmake should create a file
$RDBASE/rdkit/Chem/inchi.py that is basically empty.

-greg