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theavey / ParaTemp

A package for molecular dynamics analysis and parallel tempering in GROMACS
Apache License 2.0
11 stars 6 forks source link

Python 2/3 compatibility #3

Closed theavey closed 6 years ago

theavey commented 6 years ago

Some of this code works (only?) with Python 2, other parts with Python 3. That's not good.

For my code, it should be fairly simple to make it work across versions, but some of this is because of the compatibility of imported code. This should be documented well so it's clear to users what works with which Python.

theavey commented 6 years ago

MDAnalysis now officially supports Python 3.4+, so there's nothing holding me back now, I think.

Possibly GromacsWrapper, but I don't recall how much that is used. Might be worth getting rid of it as a dependency depending on how up to date it is.

theavey commented 6 years ago

Well it seems that this works with Python 3.6 already (d49c7b6b46491a74b4e762cd310ff4577c9ced4c) based on Travis-CI testing. None of the dependencies threw errors on installation and all tests passed. This is not extensive testing of the Python 3 compatibility, but it looks like it should be good.