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Add compat/__init__.py#82

Merged
dwhswenson merged 1 commit into
openpathsampling:mainopenpathsampling/openpathsampling-cli:mainfrom
dwhswenson:add-compat-initdwhswenson/openpathsampling-cli:add-compat-initCopy head branch name to clipboard
Aug 8, 2024
Merged

Add compat/__init__.py#82
dwhswenson merged 1 commit into
openpathsampling:mainopenpathsampling/openpathsampling-cli:mainfrom
dwhswenson:add-compat-initdwhswenson/openpathsampling-cli:add-compat-initCopy head branch name to clipboard

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@dwhswenson

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Somehow I forgot to add this in git; had it in local checkout.

Somehow I forgot to add this in git; had it in local checkout.
@dwhswenson dwhswenson added the bug Something isn't working label Aug 8, 2024
@dwhswenson

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This is ready for review and comment. Without review, I will merge this after at least 12 hours, no sooner than Thu 08 Aug 18:00 GMT (13:00 my local).

I'll follow that quickly with a PR to do a 0.3.1 patch release.

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codecov Bot commented Aug 8, 2024

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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 100.00%. Comparing base (4a9d497) to head (b653f4c).

Additional details and impacted files
@@            Coverage Diff            @@
##              main       #82   +/-   ##
=========================================
  Coverage   100.00%   100.00%           
=========================================
  Files          110       110           
  Lines         5422      5422           
=========================================
  Hits          5422      5422           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@sroet sroet left a comment

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LGTM, bit surprised it passed tests without it

@dwhswenson

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I think the issue here is that we don't do the all-optionals test when we do release testing. So we didn't trigger the code to import OpenMM (which is what this is about).

FWIW, we can also simplify the OpenMM code in there. Treating OpenMM with the rules of either SPEC0 or NEP29, we no longer need to support OpenMM 7.5.

@dwhswenson dwhswenson merged commit ded84ad into openpathsampling:main Aug 8, 2024
@dwhswenson dwhswenson deleted the add-compat-init branch August 8, 2024 16:42
@dwhswenson dwhswenson mentioned this pull request Aug 8, 2024
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