Ok for me too. De : Markus Sitzmann <markus.sitzm...@gmail.com> Date : jeudi, 18 octobre 2018 à 17:52 À : Greg Landrum <greg.land...@gmail.com> Cc : RDKit Discuss <rdkit-discuss@lists.sourceforge.net> Objet : Re: [Rdkit-discuss] [Question] Ok to switch to conda-forge for RDKit builds?
I am happy with conda forge :-). And thanks for the great work. Markus On Thu, Oct 18, 2018 at 5:46 PM Greg Landrum <greg.land...@gmail.com<mailto:greg.land...@gmail.com>> wrote: Um, guys, there are some interesting side conversations starting here, but can we please keep this thread on the "is it ok for me to stop doing builds on the RDKit channel" question? This is important to me (and possibly the community), so I'd like the keep the discussion as simple and uncluttered as possible. Thanks, -greg On Thu, Oct 18, 2018 at 5:26 PM Markus Sitzmann <markus.sitzm...@gmail.com<mailto:markus.sitzm...@gmail.com>> wrote: Hmm, isn't that the problem with any build/dependency automation tool and hard to fix in a generic way? If you are really very dependent on a specific version of a software you have to be very careful with the environment it sits in while you do "carefree" updates only in a carefree environment :-) (and environment management got a lot easier the recent years) Markus On Thu, Oct 18, 2018 at 4:43 PM Greg Landrum <greg.land...@gmail.com<mailto:greg.land...@gmail.com>> wrote: On Thu, Oct 18, 2018 at 2:21 PM Eric Jonas <jo...@ericjonas.com<mailto:jo...@ericjonas.com>> wrote: 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. That's a great question, and it's one I don't really know the answer to. On my PC (I'm on the train, and this is what I have with me), here's what I did: - create a new conda environment that includes an rdkit-channel RDKit install - uninstall the RDKit from that - install the RDKit from the conda-forge channel Here's what ends up getting changed: ## Package Plan ## environment location: C:\Users\glandrum\Anaconda3\envs\py36_tmp added / updated specs: - rdkit The following NEW packages will be INSTALLED: boost: 1.67.0-py36_vc14_0 conda-forge [vc14] boost-cpp: 1.67.0-vc14_0 conda-forge [vc14] pycairo: 1.16.3-py36_vc14_0 conda-forge [vc14] rdkit: 2018.03.4-py36h857267b_1000 conda-forge The following packages will be UPDATED: certifi: 2018.10.15-py36_0 --> 2018.10.15-py36_1000 conda-forge jpeg: 9b-hb83a4c4_2 --> 9b-vc14_2 conda-forge [vc14] tk: 8.6.8-hfa6e2cd_0 --> 8.6.8-vc14_0 conda-forge [vc14] The following packages will be DOWNGRADED: icu: 58.2-ha66f8fd_1 --> 58.2-vc14_0 conda-forge [vc14] libpng: 1.6.35-h2a8f88b_0 --> 1.6.34-vc14_0 conda-forge [vc14] libtiff: 4.0.9-h36446d0_2 --> 4.0.9-vc14_0 conda-forge [vc14] pillow: 5.3.0-py36hdc69c19_0 --> 5.2.0-py36h08bbbbd_0 pixman: 0.34.0-hcef7cb0_3 --> 0.34.0-vc14_2 conda-forge [vc14] vc: 14.1-h0510ff6_4 --> 14-0 conda-forge zlib: 1.2.11-h8395fce_2 --> 1.2.11-vc14_0 conda-forge [vc14] That's a fair amount of change, but is less than what I thought might happen (I was worried about numpy+pandas+... being updated). So that's one data point. What's your take? I will try the same thing on my Mac and Linux boxes tomorrow if no one else has done it by then. -greg _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net<mailto:Rdkit-discuss@lists.sourceforge.net> 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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