release 0.19.0

[orbeckst]

Catch-all issue for discussion of the 0.19.0 release. – please edit.

• tag release-0.19.0 on master
• release on GitHub
• pypi
• conda
• docs
• blog post blog post for 0.19.0 MDAnalysis.github.io#94
• announce on
  • mailing lists
  • twitter

[orbeckst]

@MDAnalysis/coredevs do we want to do a 0.19.0 soon or delay, e.g., after GSOC has finished? (I set the date for 0.19.0 tentatively to 31 July 2018 but @richardjgowers will change as necessary.) Once we have 0.19.0 we should work on tightening up everything for 1.0.

In principle we should have done a 0.18.1 bug fix a while back but we got a whole bunch of good new stuff in the meantime so it was hard to squeeze out the patch release.

Things I'd like to see:

• any deprecations that are needed for 1.0 (e.g. deprecating save() methods in analysis classes #1763 and for the flags remove flag registry #782 )
• docs (especially docs for many AtomGroup methods missing #1845 and Principle Axes documentation is confusing (in tutorial) and missing (in the docs) #1828 but also a first version of the user guide PR Coordinates and topology doc rework #1827 would be nice so that it becomes easier to contribute)
• first version of on-the-fly transformations with some docs on how to use (@davidercruz )
• first improvements in distance search (@ayushsuhane )

[richardjgowers]

Yeah we should release soon. I think the blocking things should be deprecations we want to squeeze in so they're present for as long as possible. Re GSOC, I think we'll be able to have code from both students in a 19.0 release which is cool :) Then the final parts of their code will make 0.20.0/1.0

[jbarnoud]

Just for reference: #1871

[richardjgowers]

https://gist.github.com/asmeurer/c5b8605cd5b7ed179afc30acdda060fc

this looks cute for release stats

[richardjgowers]

Ok I want to do this soon(tm). I need to double check the PR for #1795 and get that in really, otherwise there's a few more deprecations we want to slip in and we're good to go.

[jbarnoud]

There are a couple of PRs from Davide I would like to merge in 0.19.0. I will likely not have time to take care of this before next Wednesday. Le 17 août 2018 11:02 PM, Richard Gowers <[email protected]> a écrit :Ok I want to do this soon(tm). I need to double check the PR for #1795 and get that in really, otherwise there's a few more deprecations we want to slip in and we're good to go. —You are receiving this because you are on a team that was mentioned.Reply to this email directly, view it on GitHub, or mute the thread.

[orbeckst]

I can do the docs.

[orbeckst]

done

[richardjgowers]

pypi and conda for the main package are done. Updating the tests package on conda is tripping over a little as it was looking for the 0.19.0 version too early (ie race conditions between the conda packages). Should be fine..

[davidercruz]

I made some improvements on the blog post for the on-the-fly transformations. I need your input on that.

[orbeckst]

@richardjgowers will do the announcement on the lists and twitter...

I look forward to OTF transformations in the next release!!

[jbarnoud]

Is there a reason this issue is still open?

[orbeckst]

I guess because we never announced the release on twitter/mailing list ...