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Remove x86 pin in env build #52

Merged
merged 3 commits into from
Jul 29, 2024
Merged

Remove x86 pin in env build #52

merged 3 commits into from
Jul 29, 2024

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IAlibay
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@IAlibay IAlibay commented Jul 22, 2024

See MDAnalysis/cookiecutter-mdakit#134

Fixes #

Changes made in this Pull Request:

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

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codecov bot commented Jul 22, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.57%. Comparing base (6a7b751) to head (3113fd3).
Report is 1 commits behind head on main.

Additional details and impacted files

@@ -371,7 +371,7 @@ def test_self_diffusivity_step_vtraj_all_dims(
sd_actual = v_simple.self_diffusivity_gk()
sd_expected = (
integrate.simpson(
characteristic_poly(NSTEP, tdim_factor), range(NSTEP)
y=characteristic_poly(NSTEP, tdim_factor), x=range(NSTEP)
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This is an uneducated attempt at a fix (I understand the Python, I don't really use Simpson-based integration regularly enough to know it's doing the right thing).

@IAlibay IAlibay requested a review from xhgchen July 22, 2024 02:41
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@hmacdope hmacdope left a comment

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LGTM @IAlibay, thanks very much for the fix. I will let @xhgchen review also.

@hmacdope hmacdope merged commit f3dcaca into main Jul 29, 2024
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@IAlibay IAlibay deleted the arm64-ci-fix branch July 30, 2024 00:19
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2 participants