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Remove simtk references for openmm 7.6 #457

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merged 3 commits into from
Sep 7, 2021

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umesh-timalsina
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@umesh-timalsina umesh-timalsina commented Aug 30, 2021

This PR removes all the simtk references for openmm imports and should be merged after ParmEd/ParmEd#1185 is resolved. Tests will fail for the timebeing.

@umesh-timalsina umesh-timalsina changed the title remove simtk references for openmm 7.6 Remove simtk references for openmm 7.6 Aug 30, 2021
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codecov bot commented Aug 30, 2021

Codecov Report

Merging #457 (c90a2b0) into master (34da37c) will not change coverage.
The diff coverage is 0.00%.

❗ Current head c90a2b0 differs from pull request most recent head c8abf04. Consider uploading reports for the commit c8abf04 to get more accurate results

@@           Coverage Diff           @@
##           master     #457   +/-   ##
=======================================
  Coverage   73.87%   73.87%           
=======================================
  Files          17       17           
  Lines        1849     1849           
=======================================
  Hits         1366     1366           
  Misses        483      483           

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/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

@umesh-timalsina
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/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

@chrisjonesBSU chrisjonesBSU mentioned this pull request Sep 2, 2021
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LGTM

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@jennyfothergill jennyfothergill left a comment

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LGTM and it appears that the openmm/ParmEd issue has been fixed

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I think this is good to merge after the tests pass.

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Assuming you intend to add the pin to the packaged builds, it would be useful to get a release with this in it soon. Thanks.

@daico007 daico007 merged commit e96f4e7 into mosdef-hub:master Sep 7, 2021
@umesh-timalsina umesh-timalsina deleted the openmm-0.7.6-fix branch September 7, 2021 14:58
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5 participants