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Build variants to be dinamically loaded depending on the platforms available #29

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merged 2 commits into from
Oct 9, 2024

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pabloferz
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We have support for CPU, Reference and CUDA platforms in OpenMM, but we try to link unconditionally to the CUDA libraries. This PR enables building both a CUDA-enabled and CPU-only variants that can be loaded dynamically on the python side.

OpenMM handles this scenarios by dynamically loading platform-dependent libraries/plugins on the C++ side. We might want to look into considering that in the future.

Other relevant changes from this PR:

  • Contains an alternative to remove direct openmm import #23
  • Sets the __version__ attribute of the python package with setuptools_scm
  • Deprecates loading the package as openmm_dlext in favor of loading it as openmm.dlext

@pabloferz
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Closes #28

@pabloferz pabloferz force-pushed the pz/multiplatform branch 3 times, most recently from 3c6b24c to e14ca1e Compare October 9, 2024 19:13
@pabloferz pabloferz changed the title Allow library to be loaded when no CUDA platform is available Build variants to be dinamically loaded depending on the platforms available Oct 9, 2024
@pabloferz pabloferz merged commit 4e937da into main Oct 9, 2024
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@pabloferz pabloferz deleted the pz/multiplatform branch October 9, 2024 20:46
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