release 1.3.0

[orbeckst]

@katrinr added many new features and we should create a new releases.

Is there anything else that needs to be considered? @MDAnalysis/rotamerconvolvemd ?

updated todo list

• docs create online documentation #1
• works with recent MDAnalysis upgrade to MDAnalysis 0.16.2 #20
• finalize update of rotamer library update rotamer library #21
• document changes in how calculations was done (affects 2011 library, see 2011 tests fail #25 ). — @katrinr

[orbeckst]

Online docs #1 would be nice. Maybe there's a quick way to make the README into a single-page readthedocs?

[philipwfowler]

Sorry storming for a grant. Will re-emerge in ~2 weeks. —Phil

On 6 Sep 2016, at 18:23, Oliver Beckstein [email protected] wrote:

Online docs #1 #1 would be nice. Maybe there's a quick way to make the README into a single-page readthedocs?

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[orbeckst]

Docs are online: https://www.mdanalysis.org/RotamerConvolveMD

[orbeckst]

@katrinr I think once #21 is done, we should make the 1.3.0 release.

I don't know how to make the conda packages but perhaps @kain88-de will be able to help. I started taking notes on how to make a release at https://github.com/MDAnalysis/RotamerConvolveMD/wiki

[orbeckst]

#25 is holding up a release.

[kain88-de]

Can we have a release? I currently cannot merge conda-forge/rotamerconvolvemd-feedstock#1 because the released version does not work with current mdanalysis.

[kain88-de]

the blocker issue #25 is closed

[orbeckst]

Really busy today, and I am virtually away over the Thanksgiving days, so the earliest I am going to do anything is next week. If anyone else (@kain88-de @philipwfowler @lukas-stelzl @katrinr ) wants to move forward please do – if you need access to pypi email me.

[kain88-de]

Enjoy Thanksgiving!

It won't hurt if this takes another couple of days.

[orbeckst]

I pushed a 1.3.0 to pypi and updated the docs.

@kain88-de – does the conda feedstock https://github.com/MDAnalysis/rotamerconvolvemd-feedstock get automatically updated?

[kain88-de]

The feedstock should pick it up within a day.

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[orbeckst]

Thanks, it did. I did a few edits and merged PR conda-forge/rotamerconvolvemd-feedstock#3 – 1.3.0 should be up on conda-forge in a bit. Now that MDA works with Windows and Py3k I removed any such restrictions from our meta.yml... I think.