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🎉 Release: merge develop into master - #228

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AndrewSazonov merged 6 commits into
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Sep 22, 2026
Merged

AndrewSazonov merged 6 commits into
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develop

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@easyscience

@easyscience easyscience Bot commented Sep 22, 2026

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This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from develop into master.

⚠️ It is labeled [bot] release and is excluded from release notes and version bump logic.

easyscience[bot] and others added 6 commits August 18, 2026 18:11
* Fix underscore-style CIF structure imports

* Prevent races in shared data index cache
…cs (#224)

* Fix weighted R-factor uncertainty handling

* Document reliability factor definitions

* Add pending ICSD CIF import regression test

* Simplify LaM7O3 tutorial sidebar label

* Enable ICSD CIF import regression test
* Reorganize reliability factors documentation

* Add reliability factors to User Guide index
* Clarify unavailable correlation matrix warning

* Add n_free_parameters to tutorial baselines

* Update data index reference hash

* Add YAlO3+Al2O3 SPODI tutorial

* Update YAP tutorial fit parameters

* Expose method-specific minimizer tolerances

* Update YAP tutorial convergence setup

* Warn about unsupported ionic atom symbols

* Avoid hard-wrapped notebook output

* Update PbSO4 tutorial charge example

* Use faster convergence tolerance in tutorials

* Refine YAP tutorial index description

* Update tutorial baselines after convergence changes

* Update Si model in LBCO tutorial

* Add auto-install check to LBCO tutorial

* Update LBCO Si tutorial baseline
@easyscience easyscience Bot added the [bot] release Automated release PR. Excluded from changelog/versioning label Sep 22, 2026
@codecov

codecov Bot commented Sep 22, 2026

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Codecov Report

❌ Patch coverage is 94.42231% with 14 lines in your changes missing coverage. Please review.
✅ Project coverage is 90.42%. Comparing base (192726b) to head (7e415c8).
⚠️ Report is 1 commits behind head on master.

Files with missing lines Patch % Lines
...ablocks/structure/categories/atom_sites/default.py 82.85% 4 Missing and 2 partials ⚠️
src/easydiffraction/analysis/minimizers/bumps.py 66.66% 1 Missing and 3 partials ⚠️
src/easydiffraction/analysis/calculators/cryspy.py 94.59% 1 Missing and 1 partial ⚠️
...fraction/analysis/categories/minimizer/lsq_base.py 97.14% 2 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #228      +/-   ##
==========================================
+ Coverage   90.37%   90.42%   +0.05%     
==========================================
  Files         284      284              
  Lines       24780    24992     +212     
  Branches     2910     2926      +16     
==========================================
+ Hits        22395    22600     +205     
- Misses       1756     1761       +5     
- Partials      629      631       +2     
Flag Coverage Δ
unittests 90.42% <94.42%> (+0.05%) ⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files with missing lines Coverage Δ
src/easydiffraction/analysis/analysis.py 93.77% <100.00%> (+0.12%) ⬆️
...rc/easydiffraction/analysis/calculators/crysfml.py 70.85% <100.00%> (+1.65%) ⬆️
...diffraction/analysis/categories/minimizer/bumps.py 100.00% <100.00%> (ø)
...tion/analysis/categories/minimizer/bumps_amoeba.py 100.00% <100.00%> (ø)
...fraction/analysis/categories/minimizer/bumps_de.py 100.00% <100.00%> (ø)
...fraction/analysis/categories/minimizer/bumps_lm.py 100.00% <100.00%> (ø)
...diffraction/analysis/categories/minimizer/dfols.py 100.00% <100.00%> (ø)
...diffraction/analysis/categories/minimizer/lmfit.py 100.00% <100.00%> (ø)
...alysis/categories/minimizer/lmfit_least_squares.py 100.00% <100.00%> (ø)
...ion/analysis/categories/minimizer/lmfit_leastsq.py 100.00% <100.00%> (ø)
... and 17 more

... and 2 files with indirect coverage changes

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@AndrewSazonov
AndrewSazonov merged commit d524acb into master Sep 22, 2026
43 of 44 checks passed
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