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Improve speed of unit tests #104

Closed
7 tasks done
MTLehner opened this issue Oct 2, 2021 · 9 comments · Fixed by #131
Closed
7 tasks done

Improve speed of unit tests #104

MTLehner opened this issue Oct 2, 2021 · 9 comments · Fixed by #131
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@RiesBen @MTLehner
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enhancement New feature or request in progress question Further information is requested testing
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Release 3 🎉

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@MTLehner
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MTLehner commented Oct 2, 2021 •
edited by RiesBen

Can we improve the speed of the unit test?

A few points possible points:

  • reduce size of trajectories
    • trc
    • tre
    • trg (seem to take the longest)
  • remove unnecessary dependencies from conda incubator
  • TI submission
  • dummy submissions
@MTLehner MTLehner added enhancement New feature or request question Further information is requested testing labels Oct 2, 2021
@MTLehner
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MTLehner commented Oct 2, 2021

@schroederb do you have some input to this issue?

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MTLehner commented Oct 2, 2021

Removing omnia will hopefully already speed up conda. This will be done in the pull request #103

@MTLehner MTLehner added this to To do in Release 3 🎉 Nov 19, 2021
@MTLehner MTLehner moved this from To do to In progress in Release 3 🎉 Nov 30, 2021
@MTLehner MTLehner linked a pull request Nov 30, 2021 that will close this issue
Rework tests #131
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@MTLehner
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MTLehner commented Nov 30, 2021 •
edited by RiesBen

TODO:

Test that take a long time and have to be shortened

  • test_repdat.py
  • test_simulation_runner_blocks.py

Additional test that should be added:

  • equal_after_copy for general files
  • Hvap_system
  • openFF2gromos
  • topo functions
  • ....?

more ideas welcome, @schroederb

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MTLehner commented Feb 9, 2022

@schroederb can you work on the two test that still need to be shortened?

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MTLehner commented Feb 9, 2022

Ideas for the additional test are also welcome

@RiesBen
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RiesBen commented Feb 10, 2022

@schroederb can you work on the two test that still need to be shortened?

I'll check it out.

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RiesBen commented Feb 15, 2022

Unit test were not the problem. total time consumption is 1min 14s. The longest part of the CI is the system setup/environment installation (~10min). I assume this is due to the packages we defined in the conda env like Scipy and OpenFF.

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RiesBen commented Feb 17, 2022

@MTLehner Can we close this issue?

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Yep, we could try to reduce the dependencies and therefore the conda install time

Release 3 🎉 automation moved this from In progress to Done Feb 18, 2022
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Rework tests rinikerlab/PyGromosTools
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@RiesBen @MTLehner