8000 Fix/openmm namespace change by mikemhenry · Pull Request #1176 · ParmEd/ParmEd · GitHub
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Fix/openmm namespace change #1176

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Merged
merged 1 commit into from
Jun 10, 2021
Merged

Fix/openmm namespace change #1176

merged 1 commit into from
Jun 10, 2021

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mikemhenry
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Like #1173 this PR address the namespace changes coming to openMM, but does this in a backwards compatible way. The main issue I ran into using the openMM dev build was the logic on how parmed checks the version/capabilities of openMM.

>>> from simtk.openmm.app.internal.unitcell import reducePeriodicBoxVectors
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ModuleNotFoundError: No module named 'simtk.openmm.app.internal'
>>> from openmm.app.internal.unitcell import reducePeriodicBoxVectors
>>>

I'm not sure when the next parmed release is planned, but this change is backwards compatible with other openmm versions and perhaps is a good stopgap for users that want to use the latest version of both openmm and parmed.

@mikemhenry mikemhenry mentioned this pull request May 27, 2021
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@mattwthompson mattwthompson mentioned this pull request May 27, 2021
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swails
swails approved these changes Jun 10, 2021
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Thanks!

@swails swails merged commit cac5032 into ParmEd:master Jun 10, 2021
@mikemhenry mikemhenry deleted the fix/openmm_namespace_change_1 branch June 15, 2021 15:19
This was referenced Jun 15, 2021
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swails pushed a commit to swails/ParmEd that referenced this pull request Aug 28, 2021
@mikemhenry @swails
support future namespace chane in openMM while keeping things backwar…
4911280 
…ds compatible (ParmEd#1176)
@swails swails mentioned this pull request Aug 28, 2021
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swails added a commit that referenced this pull request Aug 28, 2021
@swails @mikemhenry
support future namespace chane in openMM while keeping things backwar…
e366e69 
…ds compatible (#1176) (#1187)

Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
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@swails swails swails approved these changes

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