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

Greg Landrum greg.landrum at gmail.com
Tue Mar 5 02:04:07 EST 2019


Geoff has this right. Your best way forward here is to read the
documentation (http://rdkit.org/docs/Install.html) and perhaps google a bit
for other discussions of this and then ask on the rdkit-discuss mailing
list if you still have any questions.

-greg


On Mon, Mar 4, 2019 at 8:16 PM Geoffrey Hutchison <geoff.hutchison at gmail.com>
wrote:

> 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 <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
> or 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
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