Re: [Rdkit-discuss] ImportError: No module named rdkit
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2017-09-15 07:47:12
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On Fri, Sep 15, 2017 at 9:12 AM, Loris Bennett <lor...@fu...> wrote: > > Greg Landrum <gre...@gm...> writes: > > > I'll provide a more detailed answer in a bit, but since you aren't > > using the system python anyway, is there any chance that you could > > switch to anaconda python on your machines? Anaconda is a great python > > distribution for scientific applications and it makes many things > > (including system administration) a ton easier. > > Anaconda might be a possibility. On the other hand we already have 3 > versions of Python in use: 2.6 from the OS, and 2.7 and 3.5 from the > Software Collections. In addition, the current cluster is nearing its > end-of-life, probably before the end of the year and so I am somewhat > loathe to install yet another one and add to my can of worms (or pit of > snakes). > Got it. I figured I'd ask anyway. As you're thinking about/planning the new cluster, it's really worth taking a look at using the anaconda distribution to provide Python. > However, now I have a slight handle on the problem and know that there > is a responsive and helpful mailing list to back me up, I'm happy to > invest a little more time in trying another source build. A glutton for punishment! ;-) -greg |