I am happy with conda forge :-). And thanks for the great work. Markus
On Thu, Oct 18, 2018 at 5:46 PM Greg Landrum <[email protected]> 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 <[email protected]> > 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 <[email protected]> >> wrote: >> >>> >>> >>> On Thu, Oct 18, 2018 at 2:21 PM Eric Jonas <[email protected]> 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 >>> [email protected] >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >>
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