Re: [Rdkit-discuss] rdkit installation problem
Open-Source Cheminformatics and Machine Learning
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From: kapil d. <kap...@gm...> - 2016-03-15 10:11:48
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Hi Riccardo, Thanks for the solution. Problem is solved now. This time I installed by explicitly mentioning the versions of rdkit and boost (2015.09.2 and 1.56.0 resp.) I think the problem with the previously mentioned command is that, it was installing rdkit (2014.09.2) and boost (1.60.0) Thanks again.. On Tue, Mar 15, 2016 at 1:37 PM, Riccardo Vianello < ric...@gm...> wrote: > Hi Kapil, > > I was able to reproduce the problem, I'm having the impression that this > might be a regression due to changes implemented in conda 4.0+. I couldn't > find a way to use 'conda update' to upgrade the initial configuration to > the latest rdkit package, so - as a shortest term solution - I would > suggest reinstalling the environment from scratch. You should be able to > remove the existing environment with something like > > > deactivate my-rdkit-env > > conda remove -n my-rdkit-env --all > > and then create it again, but this time specifying the desired rdkit > version: > > >conda create -n my-rdkit-env -c rdkit rdkit=2015.* > > this should select rdkit 2015.09.2, numpy 1.10 and boost 1.56 > > I hope that helps, please let me know if the problems persist, > > Best, > Riccardo > > -- Best Regards Kapil Dhingra Research Scholar, M.S.(Pharm.), Department of Pharmacoinformatics, NIPER, S.A.S. Nagar (*Mohali*), Punjab (India)- 160 062, Mob. No.: +91 - 7508076738 E-mail id: kap...@gm... |