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> wrote: > > > On Thu, Oct 18, 2018 at 2:21 PM Eric Jonas <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 > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
