[ase-users] Opinion about potentially adding Cython as a dependency
Gaël Donval
G.Donval at bath.ac.uk
Tue Oct 10 12:52:43 CEST 2017
Dear list,
I am currently working on some geometrical code that I will ultimately
propose adding to ASE. I am currently using Cython to speed up what
needs speeding up and, to a more limited extent, I also use it to very
conveniently generate bindings to C.
The question is: would anyone see using Cython as a problem?
I know that the fewer dependencies, the better. However Cython is
almost as ubiquitous as Scipy nowadays in Python's scientific stack.
The only real drawbacks I can think of (and I can read about on the
internet) are pain points on Windows and incompatibility with different
Python implementations (e.g. PyPy). However, with pip wheels, Windows
is a non problem (most Python distributions on Windows now also include
Cython by default so manual compilation is far from the pain it used to
be) and ASE/GPAW do not support PyPy anyway because of all the C
dependencies.
Note that I am *not* proposing to convert any existing code to Cython
nor to use Cython by default. I am talking about specific cases which
would currently be handled by writing pure C code.
Best regards,
Gaël
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