build binary .whl packages ?

[orbeckst]

Is there a simple way or a build service that we could use to also build binary wheel (.whl) packages (for Linux and OSX), in addition to the conda packages?

• There are Linux build system docker images available at https://github.com/pypa/manylinux
• For OSX we could probably use travis.

[hainm]

just FYI: Since I only release pytraj one or two times a year, I build everything on my Mac (for OSX) with docker (for Linux) with a single script. Setting up things on different services is much time consuming. :D

To speed things up, you can build wheel first and then use that file to build conda. (so conda build is just matter of copying files).

[hainm]

Oh conda build has option to build wheel too.

[orbeckst]

As @Luthaf in #1194 (comment) said, he wrote a script to build wheels from conda packages https://github.com/chemfiles/conda-to-wheels – we could adapt it for MDAnalysis, too.

[orbeckst]

Oh conda build has option to build wheel too.

Does it? That would be even easier...

Do you mean https://github.com/JanSchulz/conda-build-wheel ?

[kain88-de]

Building a wheel isn’t hard. The problem is to get it running on a lot of hardware. The manylinux docket image will help. We have to think about the numpy version we build against though.

[Seanny123]

Is this relevant again now that the build system is being updated in #3398?

[tylerjereddy]

Maybe, but have to be cautious of the maintenance burden/increasing complexity of the release process. A lot of upstream packages spend a considerable amount of bandwidth on this stuff. At least we don't have Fortran code, last time I checked.

[Seanny123]

I've built MDAnalysis wheels for Linux using manylinux for internal use at ProteinQure and it worked pretty well. I'll watch that PR and make a PR afterwards adding a script for creating releases.

[Seanny123]

Actually, looking at the CI, what's the process for uploading a release? Is this process written down anywhere?

[richardjgowers]

https://github.com/MDAnalysis/mdanalysis/wiki/PreparingReleases Docs above, We upload to pypi then that triggers the conda forge builds.

…

On Wed, Aug 25, 2021 at 18:21, Sean Aubin ***@***.***> wrote: Actually, looking at the CI, what's the process for uploading a release? Is this process written down anywhere? — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#1300 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ACGSGB3HK2DPO42AHGWJ7KLT6URAZANCNFSM4DHFZXZA> .

[IAlibay]

:P Richard beat me to the response - releases are currently done out of CI for now. We're planning to move part of that infrastructure to a github action in the (hopefully near) future [probably coupled with a move towards fortnightly dev builds].

Any suggestions / ideas / etc... here are very much appreciated.