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
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