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Switch to scientifc python nightly package location for cron tests against upstream nightly wheels #4203

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merged 5 commits into from
Jul 28, 2023

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IAlibay
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@IAlibay IAlibay commented Jul 16, 2023

Fixes #4202

Changes made in this Pull Request:

  • switch target for nightly wheel repo
  • remove h5py from list (hasn't been updated in a long while in nightly builds anyways)
  • Switch deprecated PyArray_DOUBLE to NPY_DOUBLE in transformations code

PR Checklist

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

📚 Documentation preview 📚: https://mdanalysis--4203.org.readthedocs.build/en/4203/

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github-actions bot commented Jul 16, 2023

Linter Bot Results:

Hi @IAlibay! Thanks for making this PR. We linted your code and found the following:

There are currently no issues detected! 🎉

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codecov bot commented Jul 16, 2023

Codecov Report

Patch coverage has no change and project coverage change: +0.01% 🎉

Comparison is base (e3523cf) 93.61% compared to head (ef8b146) 93.62%.
Report is 3 commits behind head on develop.

Additional details and impacted files
@@             Coverage Diff             @@
##           develop    #4203      +/-   ##
===========================================
+ Coverage    93.61%   93.62%   +0.01%     
===========================================
  Files          193      193              
  Lines        25174    25295     +121     
  Branches      4060     4063       +3     
===========================================
+ Hits         23566    23683     +117     
- Misses        1092     1096       +4     
  Partials       516      516              

see 11 files with indirect coverage changes

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@@ -786,7 +786,7 @@ PyConverter_AnyDoubleArray(
PyObject **address)
{
PyArrayObject *obj = (PyArrayObject *)object;
if (PyArray_Check(object) && obj->descr->type_num == PyArray_DOUBLE) {
if (PyArray_Check(object) && obj->descr->type_num == NPY_DOUBLE) {
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@hmacdope or @richardjgowers - am I correct in thinking that this is an acceptable replacement for the now removed PyArray_DOUBLE?

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Looks correct to me, there is even a tools/replace_old_macros.sed in the NumPy repo that does what you did.

@IAlibay IAlibay requested a review from hmacdope July 17, 2023 06:36
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IAlibay commented Jul 17, 2023

We can't say if we're fully compatible with the current numpy 2.0-dev until #4198 is merged, but at least this gets us back to properly testing against nightly upstream.

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IAlibay commented Jul 24, 2023

pinging @MDAnalysis/coredevs - would be great to get our cron checks working again

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IAlibay commented Jul 28, 2023

This is stalling us from going green on CRON CI - I'm going to reask for a review @MDAnalysis/coredevs

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CI is green, +1 for merge after backing out the yaml shim to flush here

@@ -786,7 +786,7 @@ PyConverter_AnyDoubleArray(
PyObject **address)
{
PyArrayObject *obj = (PyArrayObject *)object;
if (PyArray_Check(object) && obj->descr->type_num == PyArray_DOUBLE) {
if (PyArray_Check(object) && obj->descr->type_num == NPY_DOUBLE) {
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Looks correct to me, there is even a tools/replace_old_macros.sed in the NumPy repo that does what you did.

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IAlibay commented Jul 28, 2023

Thanks @tylerjereddy !

@IAlibay IAlibay merged commit 439435e into develop Jul 28, 2023
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@IAlibay IAlibay deleted the nightly-wheels-location branch July 28, 2023 23:53
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Cron job pointing to wrong nightly builds location
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