a few convenience tweaks to make the reproduce script smoother

Sm00thix / IKPLS

Fast CPU and GPU Python implementations of Improved Kernel PLS by Dayal and MacGregor (1997) and Shortcutting Cross-Validation by Engstrøm (2024).

https://ikpls.readthedocs.io/en/latest/

Apache License 2.0

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Closed parmentelat closed 2 months ago

parmentelat commented 2 months ago

the -g option was broken; now the default is to run all, with -g we skip runs that require a gpu
configure jax for 64bits - just like the tests