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perf: Investigate GIL handling and threaded calculation performance after removing customPQConfig #66

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@SYMSCAE

Follow-up to #55.

Removing customPQConfig eliminates a callback from the C++ evaluation path into Python. This simplifies future GIL handling, but no performance improvements have been investigated yet as requested by #5.

For the 3.15 release, we should investigate the remaining work in libdiffpy and the diffpy.srreal bindings. These include but not limited to

  • Identify where evaluation holds the GIL and which remaining callbacks or Python object accesses require it.
  • Determine where the GIL can safely be released around C++ numerical calculations.
  • TBD

Activity

  1. added this to the v1.6.0-release milestone on Nov 3, 2026
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