Deprecations and future problems

tfrederiksen / inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

https://tfrederiksen.github.io/inelastica

GNU Lesser General Public License v3.0

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Deprecations and future problems #70

Open zerothi opened 1 year ago

zerothi commented 1 year ago

Currently one cannot compile Inelastica with newer versions of numpy.

numpy.complex is deprecated (to not overwrite default complex) Instead one should use numpy.complex_ if really needed
numpy.distutils will be removed in Python >= 3.12 releases, possibly one should move to scikit-build or something similar to account for these problems... :(

I am trying to do this in sisl. But are having some issues at the moment. Hopefully they should be fixed asap!

zerothi commented 1 year ago

My latest sisl commits have omitted the numpy.distutils problem. So you can take the CMakeLists.txt files from there to make it work for newer Python releases.