rpmuller / pyquante2

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
http://pyquante.sourceforge.net
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Always run Cython at build time #11

Open berquist opened 5 months ago

berquist commented 5 months ago

https://github.com/rpmuller/pyquante2/pull/10 was not actually running Cython as part of the pyproject.toml build; this PR fixes that. There is a knob to not run Cython and use the included C sources, but there is no way to have Cython be only installed optionally. It has to do with build environment isolation, which would be a bad thing to disable. If a compiler is missing the build should also not error. The C sources are no longer strictly necessary but I left them in and added the missing Becke one.

This also runs CI on Windows, and MSVC does actually compile the extensions. I think my end goal would be to add https://github.com/pypa/cibuildwheel, but I didn't want to make this PR even bigger. Eventually you could use this to distribute compiled Windows wheels.