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Tutorial 12 constant pH fails with pint 10.1 #3420

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espresso-ci opened this issue Jan 19, 2020 · 1 comment · Fixed by #3423
Closed

Tutorial 12 constant pH fails with pint 10.1 #3420

espresso-ci opened this issue Jan 19, 2020 · 1 comment · Fixed by #3423

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@espresso-ci
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https://gitlab.icp.uni-stuttgart.de/espressomd/espresso/pipelines/10746

@jngrad
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jngrad commented Jan 19, 2020

The constant pH tutorial failed due to the new pint version deployed today in the docker images:
https://gitlab.icp.uni-stuttgart.de/espressomd/espresso/-/jobs/197409

The version went from 0.9 to 10.1. Looking through the release notes, this is probably caused by:

  • BREAKING CHANGE:
    Implement NEP-18 https://numpy.org/neps/nep-0018-array-function-protocol.html for
    Pint Quantities. Most NumPy functions that previously stripped units when applied to
    Pint Quantities will now return Quantities with proper units (on NumPy v1.16 with
    the array_function protocol enabled or v1.17+ by default) instead of ndarrays. Any
    non-explictly-handled functions will now raise a "no implementation found" TypeError
    instead of stripping units. The previous behavior is maintained for NumPy < v1.16 and
    when the array_function protocol is disabled.

Also noteworthy:

We could rollback to pint 0.9 until the tutorial gets fixed to avoid a CI deadlock.

@jngrad jngrad changed the title CI build failed for merged PR Tutorial 12 constant pH fails with pint 10.1 Jan 19, 2020
@kodiakhq kodiakhq bot closed this as completed in #3423 Jan 20, 2020
kodiakhq bot added a commit that referenced this issue Jan 20, 2020
RudolfWeeber pushed a commit to bogdan-tanygin/espresso-ffans that referenced this issue Jan 21, 2020
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