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Update openmm #460

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jennyfothergill
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PR Summary:

It seems that the openmm version update only broke the way we import this library, so this updates the imports.

This matters to me because I am trying to get gpu-compiled hoomd from conda working in the reproducibility study, but the openmm version seems to be tied to an older version of cudatoolkit, which prevents it from working.

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

@jennyfothergill
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Currently the build is failing with this error:
package mbuild-0.10.5-py_0 requires parmed, but none of the providers can be installed

@chrisjonesBSU
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Is this a duplicate of #457 ?

@jennyfothergill
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Is this a duplicate of #457 ?

Yes, and since #457 tests are passing I will close this

@jennyfothergill jennyfothergill deleted the update/openmm branch September 2, 2021 19:39
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2 participants