Re: [Rdkit-devel] RDKit installation

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

Gayathree,

Those instructions are for installing a binary version of the RDKit. They
are not well suited for setting up an environment where you build from
source.

For the purposes of getting something done quickly while you're preparing
your GSoC application (there's not a lot of time left), I would suggest
that you go ahead and use the binary install and that you make your changes
there. Once you've tested them and think that they are ready for others to
see, you can submit your proposed changes here by just emailing the files
that you changed. This isn't the normal way of doing a submission, and
we'll have to make sure that you have a proper github checkout if your
application is accepted, but it allows you to get going quickly.

The next step would be to find the files that conda install created and
start working with them. Where these files are depend on the details of
your anaconda installation and you'll have to poke around a bit to find
them. Here's where my rdkit source ends up when I conda install it into an
environment named "py35_rdkit":
~/anaconda3/envs/py35_rdkit/lib/python3.5/site-packages/rdkit/

-greg



On Sun, Mar 26, 2017 at 8:45 PM, Gayathree Kaluarachchi <
kal...@gm...> wrote:

> Hello everyone,
>
> I have installed RDKit using Anaconda and download the latest release of
> RDKit following the steps in http://www.rdkit.org/docs/
> Install.html#cross-platform-under-anaconda-python-fastest-install .
> But I have stuck in next step which is building RDKit. I setup environment
> variable according to the documentation as well.
> It would be much appreciated, if anyone can give me an idea on that and
> give any tip on how to build RDKit in local workspace.
>
> Thank you.
>
> Best regards,
> Gayathree.
>
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