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MDAnalysis / pmda

Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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release 0.2 before Workshop #59

Closed orbeckst closed 5 years ago

orbeckst commented 6 years ago

We need a stable release that pip-installs before the workshop

kain88-de commented 6 years ago

This needs to get hand-in-hand with a new MDAnalysis release. This library depends on features in the development branch.

orbeckst commented 6 years ago

cc @richardjgowers blocked on MDAnalysis/mdanalysis#1971

orbeckst commented 6 years ago

MDA 0.19.0 is out – need to get started on this release.

I'll wait for #47 and then get started.

orbeckst commented 6 years ago

Are we ready for a conda package, or should we keep it pip-only for 0.2.0?

kain88-de commented 6 years ago

There is nothing speaking against making a conda forge package. Since we are pure python it straight forward.

On Wed 17. Oct 2018 at 21:36, Oliver Beckstein notifications@github.com wrote:

Are we ready for a conda package, or should we keep it pip-only for 0.2.0?

— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/MDAnalysis/pmda/issues/59#issuecomment-430760277, or mute the thread https://github.com/notifications/unsubscribe-auth/AEGnVrSAbNW28FUTpfQXUspkgx_tJd76ks5ul4awgaJpZM4WwoNz .

kain88-de commented 6 years ago

the manifest.in should include the license file

kain88-de commented 6 years ago

conda-forge: https://github.com/conda-forge/staged-recipes/pull/6851

orbeckst commented 6 years ago

Conda package: #74

orbeckst commented 6 years ago

Waiting for PR #77 .

orbeckst commented 6 years ago

Conda release in progress https://github.com/conda-forge/pmda-feedstock/pull/2

kain88-de commented 6 years ago

There is a good conda not now. A PR should be created automatically about a day after publishing on pypi

On Fri 2. Nov 2018 at 10:12, Oliver Beckstein notifications@github.com wrote:

Conda release in progress conda-forge/pmda-feedstock#2 https://github.com/conda-forge/pmda-feedstock/pull/2

— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/MDAnalysis/pmda/issues/59#issuecomment-435316482, or mute the thread https://github.com/notifications/unsubscribe-auth/AEGnViM4paz1n8w3bpZDi2oCJntu1LtHks5urAxlgaJpZM4WwoNz .

orbeckst commented 6 years ago

@kain88-de I did not understand your comment:

There is a good conda not now.

Are you saying that it is not necessary to manually create a PR for the feedstock because it monitors PyPi? If this is the case, please comment on https://github.com/conda-forge/pmda-feedstock/pull/2 and we close that PR.

richardjgowers commented 6 years ago

@orbeckst yeah it can do auto updates based on pypi, but it looks like we've also changed the dask requirement and added distributed, so manual is better this time

orbeckst commented 6 years ago

Ok, can you then head over to https://github.com/conda-forge/pmda-feedstock/pull/2 and do magic?

kain88-de commented 6 years ago

@orbeckst here is the bot https://github.com/regro/cf-scripts

orbeckst commented 6 years ago

Thanks!

orbeckst commented 5 years ago

Well, that should have been closed a long time ago because 0.2.0 was in https://anaconda.org/conda-forge/pmda by the workshop time.

I'll add a conda badge to our README...