Hi Marco, On Wed, May 26, 2021 at 2:37 PM Marco Stenta <marco.ste...@gmail.com> wrote:
> Dear Colleagues, > I recently came across this > https://pypi.org/project/rdkit-pypi/ > > is pip going to be supported officially by the dev community? any plan? > I'm not quite sure yet. I believe that at the moment the pip images are still missing the extra data files that the RDKit requires in order to correctly function. After that's taken care of, we'll need one or more volunteers to make sure that the rdkit-pypi images stay up to date. Just like the conda-forge packages, this will be something that's community maintained, not something the development team takes care of. > getting out of the conda dependency might be beneficial to get > slightly slimmer docker images. > If this is something you actually care about, you can just create a docker image which has a local RDKit build matching the version of Python used in the container. -greg
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