(experimental) conda package for Windows

[orbeckst]

Even though we do not fully support Windows (yet) we would like to have (experimental) conda packages for Windows.

• Code that is not working yet should be disabled under Windows (example: GSD Reader).
• Have MDA issue an initial warning that Windows support is experimental.

(This came out of a discussion regarding the Workshop. We would like to test if the basic examples work under Windows.)

[orbeckst]

@kain88-de @tylerjereddy @richardjgowers do you know how to build Windows packages on conda-forge?

[tylerjereddy]

I'll make a note about this.. I think I'm slotted in as release manager for the next SciPy release so should probably brush up anyway.

[richardjgowers]

The optimist in me hopes we can just delete the skip windows line here:

https://github.com/conda-forge/mdanalysis-feedstock/blob/master/recipe/meta.yaml#L16

Then maybe add any fixes that @tylerjereddy has had to use on our windows CI?

[kain88-de]

We remove the windows limitation in the build. There should be a line with skip. Afterwards you need to rerender the ci scripts with conda-smithy.

…

On Mon 22. Oct 2018 at 06:15, Tyler Reddy ***@***.***> wrote: I'll make a note about this.. I think I'm slotted in as release manager for the next SciPy release so should probably brush up anyway. — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub <#2116 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AEGnViVbqom--WST4V5Xj-IuwlfS8fo-ks5unUZdgaJpZM4XytWe> .

[richardjgowers]

So hopefully the build passes without too much drama. I'm thinking I should go through and "deactivate" the modules that don't work for Windows (like we recently did for GSD). I think this will be most of the ascii based multi frame readers(!).

But then everything accessible within the module should work 100%

[kain88-de]

oh yeah but I don't know how to have optional requirements in a conda package. We have to make those truly optional with correct error messages in MDAnalysis. So I assume now the build will fail until the dependencies are removed.

[richardjgowers]

@kain88-de we've got the code in place to handle optional GSD, so it's just the recipe, I've tried something...

[richardjgowers]

This is done, https://anaconda.org/conda-forge/mdanalysis

I don't consider this experimental either, everything is passing identically to linux

[orbeckst]

🍺

[orbeckst]

Do we only support Python 3 on Windows?

https://anaconda.org/conda-forge/mdanalysis/files

[richardjgowers]

@orbeckst yep: #2093 (comment)

[orbeckst]

Should mention this somewhere... at least in upcoming blog post MDAnalysis/MDAnalysis.github.io#94