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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