Publish pre-compiled wheels to PyPI

[janosh]

didn't find any previous issue on this but apologies if this was discussed before

are there are blockers (technical or development time) for publishing pre-compiled wheels for phono3py to PyPI? would be great to be able to install with pip/uv

[atztogo]

The wheel packaging was not easy and stressful to me from the experience of providing wheels of phonopy (not available now) and spglib (maintained by @LecrisUT now :)). I don't know now, but I thought it was not easy before because of lapacke that was not very popular before.

[janosh]

there's a very nice project directly from the python packaging authority PyPA) https://github.com/pypa/cibuildwheel which handles a lot of the platform-specific complexity of building wheels for every OS and Python version. i've used it on a few projects and had good experiences. i don't know if it handles all the needs of phono3py but if it wasn't tried yet, probably worth a shot

[atztogo]

Thanks, @janosh! I used it a long time ago, but back then, it would sometimes stop working unexpectedly for reasons I couldn't figure out. I often spent a day or more troubleshooting since I didn’t fully understand how it worked. Eventually, I decided, 'This isn’t really my job,' and let it go.

Since users sometimes express complaints, and software development continues to be unfairly undervalued in academia, I need to be careful not to exhaust myself to avoid losing the passion to continue scientific software development.

[LecrisUT]

Lapacke is a bit tricky and most likely I can't make it performant, but I can port the spglib build system here. I have one project to attend to this week, but I can add this ond to my todo for next week. @atztogo all ok sith refactoring the build system here?

[atztogo]

@atztogo all ok sith refactoring the build system here?

Sure, thanks. But please don't feel too obligated.

[LecrisUT]

No worries, this is my bread-and-butter and my new job at Qt is also cmake oriented.

[hrushikesh-s]

Having this would be really useful for my new atomate2 anharmonic phonons workflow

are there are blockers (technical or development time) for publishing pre-compiled wheels for phono3py to PyPI? would be great to be able to install with pip/uv