Remove CPP and use only C in get neighbors optmization #1916
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Summary
Recently, we have seen some platform-dependent errors caused by this cython extension.
The known error is "illegal instructions (core dumped)" which cause crash of python. This error was found on conda installations. In particular, I have encountered issues on
ubuntu 18.04.4 LTS
(Matt raised this issue to me), and the github action VMmacOS-latest, python3.7
. Such errors however do not show up if pymatgen is installed usingpip
or from source. Interestingly, it also does not show up on github action VMmacOS-latest, python3.8
.This PR is an attempt to fix the issue. My suspicion is that this is related to C++ compilation since it requires the platform-dependent flags. In this PR, I have removed all CPP-dependent codes and replace them with C only codes.