Put this package on Pypi?

WMD-group / kgrid

Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations

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Put this package on Pypi? #7

Closed utf closed 4 years ago

utf commented 4 years ago

I love kgrid and I use it all the time. I want to use its functionality in a package I'm developing and sure, I could copy the source and use it directly, but it would be nice if kgrid was on Pypi.

Thoughts?

ajjackson commented 4 years ago

Good idea :-)

ajjackson commented 4 years ago

Done! https://pypi.org/project/kgrid/

Did a quick test in an Ubuntu docker instance and it seems to work