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mcs07 / homebrew-cheminformatics

Cheminformatics formulae for the Homebrew package manager
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RDKit for python 2 and 3, both? #24

Closed windemut closed 7 years ago

windemut commented 7 years ago

In the description of the rdkit formula it says "RDKit can be built to work with either Python 2 or Python 3, but not both simultaneously". I use both Python 2 and 3 from time to time, and it would be nice to have to not switch installations all the time. Is this a hard and fast rule or might there be a way around it?

mcs07 commented 7 years ago

For this I would recommend using anaconda python, so you can create conda environments with different python versions and conda install rdkit in each.

I don't believe it is possible to do a single cmake compile of RDKit (as homebrew does) and have it work with multiple python environments.

windemut commented 7 years ago

Ah, thank you, anaconda might work. I'll try it, or make do with switching once in a while.

On 5/2/17 4:04 PM, Matt Swain wrote:

For this I would recommend using anaconda python, so you can create conda environments with different python versions and |conda install rdkit| in each.

I don't believe it is possible to do a single cmake compile of RDKit (as homebrew does) and have it work with multiple python environments.

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