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Published 20 hours ago • verified publisher icon dblalock

Support Python 3

Open dblalock opened this issue 7 years ago • 2 comments

Because it's 2017 and I should really have support for this. Should be very little work since the Python footprint is pretty small. We might support this already, in fact.

dblalock avatar May 18 '17 19:05 dblalock

This is still a desired feature. Any progress on this?

marischu avatar Jan 11 '22 21:01 marischu

At least for MADDNESS, it looks like the only package that is getting in the way of Python 3 compatibility is kmc2, which was generated with strictly Python 2 bindings.

There is a branch of the repo (that is sadly not merged) but I found that it allowed me to build the bindings for kmc2 for Python 3. The only meaningful changes it made were to setup.py.

https://github.com/obachem/kmc2

With a couple more cosmetic changes (changing the import structure) I was able to run amm.py in Python 3.

marischu avatar Feb 25 '22 13:02 marischu