🚀 Prepare v0.5.1 bugfix release

[jsnel]

Update changelog for 0.5.1 release and set version accordingly.

Change summary

• 🩹 Bugfix Use normalized initial_concentrations in result creation for decay megacomplex (🩹 Bugfix Use normalized initial_concentrations in result creation for decay megacomplex #927)
• 🩹 Fix save_result crashes on Windows if input data are on a different drive than result (🩹 Fix save_result crashes on Windows if input data are on a different drive than result #931)

Checklist

• ✔️ Passing the tests (mandatory for all PR's)

Closes issues

closes #926

[github-actions]

👈 Launch a binder notebook on branch jsnel/pyglotaran/patch/prepare-v0.5.1-patch

[github-actions]

Benchmark is done. Checkout the benchmark result page.
Benchmark differences below 5% might be due to CI noise.

Benchmark diff v0.4.2 vs. main

Parametrized benchmark signatures:

BenchmarkOptimize.time_optimize(index_dependent, grouped, weight)

All benchmarks:

       before           after         ratio
     [0cb3b13d]       [c71b5535]
     <v0.4.2>                   
+      39.9±0.6ms       50.6±0.8ms     1.27  BenchmarkOptimize.time_optimize(False, False, False)
-         266±1ms        53.5±30ms     0.20  BenchmarkOptimize.time_optimize(False, False, True)
         60.4±4ms         50.0±3ms    ~0.83  BenchmarkOptimize.time_optimize(False, True, False)
         62.3±4ms         52.9±3ms    ~0.85  BenchmarkOptimize.time_optimize(False, True, True)
+        43.6±2ms         60.9±3ms     1.39  BenchmarkOptimize.time_optimize(True, False, False)
-        284±10ms         66.7±3ms     0.23  BenchmarkOptimize.time_optimize(True, False, True)
         59.8±3ms       64.2±0.5ms     1.07  BenchmarkOptimize.time_optimize(True, True, False)
+      57.1±0.9ms        67.2±20ms     1.18  BenchmarkOptimize.time_optimize(True, True, True)
             190M             198M     1.04  IntegrationTwoDatasets.peakmem_optimize
-      4.39±0.01s       1.79±0.08s     0.41  IntegrationTwoDatasets.time_optimize

Benchmark diff main vs. PR

Parametrized benchmark signatures:

BenchmarkOptimize.time_optimize(index_dependent, grouped, weight)

All benchmarks:

       before           after         ratio
     [4a444045]       [c71b5535]
         49.2±3ms       50.6±0.8ms     1.03  BenchmarkOptimize.time_optimize(False, False, False)
         52.8±4ms        53.5±30ms     1.01  BenchmarkOptimize.time_optimize(False, False, True)
         51.9±1ms         50.0±3ms     0.96  BenchmarkOptimize.time_optimize(False, True, False)
         58.8±2ms         52.9±3ms    ~0.90  BenchmarkOptimize.time_optimize(False, True, True)
       63.7±0.5ms         60.9±3ms     0.96  BenchmarkOptimize.time_optimize(True, False, False)
        94.7±30ms         66.7±3ms    ~0.70  BenchmarkOptimize.time_optimize(True, False, True)
       63.2±0.5ms       64.2±0.5ms     1.02  BenchmarkOptimize.time_optimize(True, True, False)
        67.4±10ms        67.2±20ms     1.00  BenchmarkOptimize.time_optimize(True, True, True)
             198M             198M     1.00  IntegrationTwoDatasets.peakmem_optimize
       1.72±0.07s       1.79±0.08s     1.04  IntegrationTwoDatasets.time_optimize

[sourcery-ai]

Sourcery Code Quality Report

Merging this PR leaves code quality unchanged.

Quality metrics	Before	After	Change
Complexity	0.67 ⭐	0.67 ⭐	0.00
Method Length	24.50 ⭐	24.50 ⭐	0.00
Working memory	4.33 ⭐	4.33 ⭐	0.00
Quality	91.44% ⭐	91.44% ⭐	0.00%

Other metrics	Before	After	Change
Lines	22	22	0

Changed files	Quality Before	Quality After	Quality Change
glotaran/init.py	91.44% ⭐	91.44% ⭐	0.00%

Here are some functions in these files that still need a tune-up:

File	Function	Complexity	Length	Working Memory	Quality	Recommendation

Legend and Explanation

The emojis denote the absolute quality of the code:

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The 👍 and 👎 indicate whether the quality has improved or gotten worse with this pull request.

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[sonarqubecloud]

Kudos, SonarCloud Quality Gate passed!   

0 Bugs
0 Vulnerabilities
0 Security Hotspots
0 Code Smells

No Coverage information
0.0% Duplication

[codecov]

Codecov Report

Merging #945 (c71b553) into main (4a44404) will not change coverage.
The diff coverage is 100.0%.

@@          Coverage Diff          @@
##            main    #945   +/-   ##
=====================================
  Coverage   85.1%   85.1%           
=====================================
  Files         85      85           
  Lines       4799    4799           
  Branches     921     921           
=====================================
  Hits        4085    4085           
  Misses       562     562           
  Partials     152     152           

Impacted Files	Coverage Δ
glotaran/__init__.py	100.0% <100.0%> (ø)

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[jsnel]

No code changes, using my administrator privileges to merge this pull request in, in order to make the 0.5.1 bugfix release.