[Openchemistry-developers] Difficulty building a local copy of the rdkit repo

Geoffrey Hutchison geoff.hutchison at gmail.com
Mon Mar 4 14:16:52 EST 2019


My suggestion would be to e-mail the RDKit mailing list and look at the RDKit documentation itself.

-Geoff

---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoffh at pitt.edu
twitter: @ghutchis
web: https://hutchison.chem.pitt.edu/

> On Mar 4, 2019, at 12:15 PM, Krishna Swaroop K <kkrishnaswaroop99 at gmail.com> wrote:
> 
> Hello everyone!
>                         I'm Krishna Swaroop and in the previous email, I have expressed interest in contributing to the rdkit project. I have been asked to build a local copy but I'm facing difficulty in following the instructions given in the installation doc in the README. I have used the "Cross-Platform under anaconda python (fastest install)" and I'm using ubuntu. I have downloaded and installed all the dependencies and other requirements. The problem is, I'm not able to build it. I have tried running the command "autoreconf --install", but there is no configure.ac <http://configure.ac/> or configure.in <http://configure.in/> inside the directory. How do i overcome this? The documentation isn't very clear on this. It states "and finally, make, make install and ctest". It doesnt elaborate on whats the correct procedure. Helping me in this would be really beneficial for me as I'm very much interested to contribute to this project.
>                      Also, it would be great if someone sends me a slack invite as it would give me a better perspective on the things to be worked on and how i could be a better help to the organization.
> 
> Regards
> K Krishna Swaroop
> BTech Freshmen Year Student
> NIT-Karnataka
> Contact- +91 9482403590
> _______________________________________________
> Openchemistry-developers mailing list
> Openchemistry-developers at public.kitware.com
> https://public.kitware.com/mailman/listinfo/openchemistry-developers

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://public.kitware.com/pipermail/openchemistry-developers/attachments/20190304/cb1353b1/attachment.html>


More information about the Openchemistry-developers mailing list