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Support Python 3 #1

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dblalock opened this issue May 18, 2017 · 2 comments
Open

Support Python 3 #1

dblalock opened this issue May 18, 2017 · 2 comments
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@dblalock

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@dblalock
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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 dblalock self-assigned this May 18, 2017
@marischu
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This is still a desired feature. Any progress on this?

@marischu
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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.

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@dblalock @marischu