dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
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There is another sktools #101

Open andrewshyichuk opened 5 hours ago

andrewshyichuk commented 5 hours ago

There is this Python module named sktools, a part of sklearn. https://pypi.org/project/sktools/

It has nothing to do with sktools from skprogs.

As reasonable as the sk- prefix is, such a name causes a confusion.

The construction of skprogs environment is smart: it uses its own PYTHONPATH, and in principle everything should work. However, the behaviour with the other sktools installed can potentially become unpredictable. I am simply not an expert to be 100% sure if the present approach is 100% reliable.

That is, I've installed the other sktools at some point, as skprogs complained for the lacking module. That was not the problem, I've solved the problem I had, and now it woks - but now I also have both sktools.