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NumPy 2.0 support about openmm HOT 2 OPEN

mattwthompson avatar mattwthompson commented on May 28, 2024
NumPy 2.0 support

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Comments (2)

peastman avatar peastman commented on May 28, 2024 1

I don't expect there to be much difficulty. We only make very little use of numpy, and that is almost entirely through Python. The only interaction with the native ABI is to get a pointer to the data for an array:

void* data = PyArray_DATA((PyArrayObject*) output);
memcpy(data, &array[0][0], 3*sizeof(double)*array->size());

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mattwthompson avatar mattwthompson commented on May 28, 2024

Great! The ABI is supposed to be stable now, so whatever changes are going to happen should be in the rc1 builds.

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