Dear Greg, We should simplify for sure and have a main stream release, so Making a “basic” release already increase of the toolkit.
Also, that would be interesting to have a “special” contributors releasing thing cause we need to be agile on that part too. BR, Guillaume De : Eric Jonas <[email protected]> Date : jeudi, 18 octobre 2018 à 14:21 À : Greg Landrum <[email protected]> Cc : "[email protected]" <[email protected]>, "[email protected]" <[email protected]> Objet : Re: [Rdkit-discuss] [Question] Ok to switch to conda-forge for RDKit builds? Greg, I'm all for anything that makes the release process on developers easier; my main question is : With conda-forge, how hard is it to install just _one_ package without having everything else (say numpy, pandas, etc) upgraded to the latest conda-forge version? I've had situations in the past where i'm like "oh I'd just like the latest ___" and suddenly everything in my conda env has been upgraded to the bleeding edge. ...Eric On Wed, Oct 17, 2018 at 11:34 PM Greg Landrum <[email protected]<mailto:[email protected]>> wrote: Dear all, TL;DR: Now that RDKit builds are available on conda-forge, I would like to stop doing builds on the rdkit conda channel. I'm looking for feedback about that here. Thanks to the persistence of Peter St John and Matt Swain, the RDKit is now available on conda-forge: https://anaconda.org/conda-forge/rdkit/files If you take a look, you'll find builds for Mac, Linux, and Windows together with multiple versions of Python. The build/deployment steps are all automated. It's really cool! Given that these packages now exist, I don't see much value in continuing to also host standard RDKit builds in the rdkit conda channel. So I would propose that we switch to using conda-forge as the primary channel for doing RDKit builds/distributions. Having the automated process available would save me a lot of time and remove the chance for me to make a mistake while doing the builds.[1] If we go this way, I will update the documentation to point to conda-forge and will only do the occasional nightly or beta build in the rdkit conda channel. Does anyone have any objections to this or see any problems that it might cause? Many thanks to Matt and Peter for making the conda-forge builds happen! -greg [1] As fun as these are, I think I can live without them. ;-) _______________________________________________ Rdkit-discuss mailing list [email protected]<mailto:[email protected]> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss *********************************************************************************** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. ***********************************************************************************
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