Since both PySCF and HORTON are not Python 3.6 compatible (right now), the wrapper feature broke with when refactored to Python 3.6. Instead of making the code backward compatible with the version of Python that would be compatible to both, I've added some scripts that write the results of the calculations (HF, FCI) to disk and are read out afterward.
It is a bit hacky, since there is a part of the code in Python 3.6 that calls another interpreter (of a different version of Python). If you are messing around with PYTHONPATH, I think having multiple interpreters will be a nightmare. But if you are installing to local directories (at least with something like pip install --user -e file, then it is at least doable.
At least adding these things are better than killing the wrapper feature altogether.
Since both PySCF and HORTON are not Python 3.6 compatible (right now), the wrapper feature broke with when refactored to Python 3.6. Instead of making the code backward compatible with the version of Python that would be compatible to both, I've added some scripts that write the results of the calculations (HF, FCI) to disk and are read out afterward.
It is a bit hacky, since there is a part of the code in Python 3.6 that calls another interpreter (of a different version of Python). If you are messing around with PYTHONPATH, I think having multiple interpreters will be a nightmare. But if you are installing to local directories (at least with something like
pip install --user -e file, then it is at least doable.At least adding these things are better than killing the wrapper feature altogether.