dblalock/bolt

Support Python 3

dblalock opened this issue · 2 comments

dblalock commented

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.

marischu commented

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

marischu commented

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.