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Revamp PDBFixer testing #225

Merged
merged 5 commits into from
Aug 31, 2021
Merged

Revamp PDBFixer testing #225

merged 5 commits into from
Aug 31, 2021

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swails
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@swails swails commented Aug 31, 2021

  • Use GitHub Actions to run a suite of tests
  • Switch from nose to pytest (nose has not been supported in years)
  • Download a PDB file and track it instead of fetching it during CI
    (RCSB has blocked testing frameworks in the past).

* Use GitHub Actions to run a suite of tests
* Switch from nose to pytest (nose has not been supported in years)
* Download a PDB file and track it instead of fetching it during CI
  (RCSB has blocked testing frameworks in the past).
@swails
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swails commented Aug 31, 2021

I hadn't seen #222

This actually adds some testing, or it should at least.

@jchodera
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Also fixes #224.

We should still likely convert to using the MolSSI cookiecutter at some point down the road!

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swails commented Aug 31, 2021

Tests now pass: https://github.com/swails/pdbfixer/runs/3468227261?check_suite_focus=true

I'll clean up the branch trigger names and this should be good to merge. Then I'll proceed to the cleanups I need.

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swails commented Aug 31, 2021

@peastman this is ready to merge, and results in passed tests on Python 3.7 - Python 3.9

@peastman
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That looks excellent. Thank you!

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3 participants