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馃帀 Release: merge develop into master - #442

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rozyczko merged 54 commits into
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Oct 19, 2026
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rozyczko merged 54 commits into
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@easyscience easyscience Bot commented Oct 19, 2026

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

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

rozyczko and others added 30 commits March 23, 2026 11:18
* assure refl1d actually runs from the GUI

* don't fail on codecov upload
* initial implementation

* set `disable` status on relevant sub/super-phase parameters

* fixed tests

* fixes after CR

* fixed tests
* initial implementation of the mighell algorithm for data with zero variances

* don't fail on codecov upload

* fixed chi2 reporting, added MD file with description

* unit test update

* added docs about Mighell

* updated easyscience branch, deleted script

* chi -> chi2

* use develop for core
* backmerge after 1.6.0 release
* initial commit up to and including `pixi run check` step

* fixes

* updates to pyproject.toml

* remade __init__.py

* minor fix

* a few more fixes

* Apply templates with docstrings fixes

* Add missing favicon and update SVG assets

* moved docs for mkdocs

* make "pixi run mkdocs build" and "pixi run nonpy-format-check" work
together

* try using absolute paths for the wheel

* minor fixes

* refactor md file headers for docs

* minor CR changes

* linting

* code review fixes

* CR fixes

* proper globbing

* remove __version__

---------

Co-authored-by: Andrew Sazonov <andrew.sazonov@icloud.com>
* initial commit

* PR review

* more tests
* initial commit with examples

* ruff format

* refactor core modifications to live in reflectometry lib only

* modified the notebook a bit

* refactored MCMC sampling to easyscience module

* added pass-through for cancellation and total number of calculations

* silly typo

* yet another linting

* moved the notebook to the correct location and fixed the formatting

* added more initial arguments to sample. Added unit tests

* prettify charts. Updated notebook

* fixed issue with the notebook

* move file fetch to reflectometry/data

* PR review fixes

* be careful with small chains

* ruff

* try to use explicit dtype for Ubuntu

* another attempt at fixing failing test

* better corner and distribution plots

* updates to the Bayesian API after changes to core

* use bayesian_extend

* minor fixes

* fix failing test

* test against develop, so we can merge the PR

* use mcmc_sample

* fixed tests

* minor notebook fix
* initial commit with examples

* ruff format

* refactor core modifications to live in reflectometry lib only

* modified the notebook a bit

* refactored MCMC sampling to easyscience module

* added pass-through for cancellation and total number of calculations

* silly typo

* yet another linting

* moved the notebook to the correct location and fixed the formatting

* added more initial arguments to sample. Added unit tests

* prettify charts. Updated notebook

* fixed issue with the notebook

* move file fetch to reflectometry/data

* PR review fixes

* be careful with small chains

* ruff

* try to use explicit dtype for Ubuntu

* another attempt at fixing failing test

* better corner and distribution plots

* updated poitwise logic/notebook
* addressing #381

* minor docstring update
* moved to Sampler class from Core

* reparent branch

* fixed issue #367 (#382)

* fixed issue #367

* disable automatic parallelization for windows

* Changes after code review

* added test

* arviz fix

* try to fix prettier issues

* updated notebook

* linting

* fixing #370 (#388)

* reparent to develop

* Core fixes pointwise (#387)

* fixed pointwise treatment on file load

* more tests
* try to fix failing test

* another attempt
* initial version

* added magnetic SLD profile

* added magnetic parameters

* code review comments addressed

* code review fixes for Phase 2, added notebook

* PR code review comments

* fixed polarized file load issue

* enable magnetic layers

* new LayerMagnetism component

* ruff

* ruff on notebooks

* bind calculator to model for performance

* attempt at fixing package testing

* package tests only on master

* don't run ruff twice

* code review fixes

* added polarized fitting example/notebook

* fixed default sample generation

* improved wording in the magnetic fitting notebook

* move the most expensive test to integration
* initial version

* added magnetic SLD profile

* added magnetic parameters

* ruff

* code review comments addressed

* code review fixes for Phase 2, added notebook

* ruff

* PR code review comments

* fixed polarized file load issue

* enable magnetic layers

* new LayerMagnetism component

* ruff

* ruff on notebooks

* bind calculator to model for performance

* attempt at fixing package testing

* package tests only on master

* don't run ruff twice

* code review fixes

* added polarized fitting example/notebook

* fixed default sample generation

* improved wording in the magnetic fitting notebook

* move the most expensive test to integration

* Improved constraints (#395)

* improved handling of constraints

* ruff

* wording

* additional cell in a notebook to showcase the new way of doing
constraints

* fixed notebook

* initial checkin

* .bounds -> min, max

* updates so the code is self-contained and doesn't depend on changes to
core

* Code review comments addressed

* Updated docs (#398)

* move everything to MKDocs
minor updates/fixes after code review

* ruff fix for notebook

* Fix broken conflict resolutions from develop merge

The merge of develop (2042778) left two files with damaged conflict
resolutions: magnetism.ipynb gained a corrupt hybrid cell (invalid
notebook JSON, duplicate cell id) and project.py gained a duplicated
copy of the spin-asymmetry method block with an orphaned method body.
Both files are restored to the branch-side version, which already
contained everything develop had for them.

Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>

* code review issues addressed

* removed explicit EasyCore constraints factory reliance

---------

Co-authored-by: Claude Fable 5 <noreply@anthropic.com>
* initial commit

* code review fixes

* more unit tests for orso functionality
* enable SLD dependence on material data

* extending methods for use in ERA

* code review issues addressed

* ruff

* make molecular weight a descriptor
* Improvements to the state tracking #401

* PR issues addressed

* minor ruff NOQA

* reparent to develop of core and fixed the functionality
rozyczko and others added 24 commits September 11, 2026 11:05
* Removed DataStore

* ruff on CHANGELOG

* ruff
* fix the multi-column load #376
Resolved entirely in favour of develop ('ours' strategy). Master's only
unique content is the legacy Sphinx docs tree and the bornagain calculator,
both deliberately removed on develop; every feature from master (Mighell
transform, release prep) is already present here.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
* correct units for scattering lengths #377

* improved help and tests
* minor fixes required for the updated GUI

* PR review fixes #1

* PR review fixes
* Added volume fraction profile calculation and display. #281

* fixed CHANGELOG
* variable resolution fitting, initial commit

* PR review fixes
* fixed unique_name reuse for uncollected models #426

* added missing test
* added fit configuration owner #427

* PR review fixes
* Multiple contrasts implementation improved. #425 issue #2

* PR review fixes

* another round of reviews

* added docs and notebook for multiple contrasts

* added multiple contrast docs and notebook

* fixed docs
* Variable resolution fitting fixes from #425 p.3

* code review fixes
* updated README.md

* slight modifications of README
* implemented fixes to the magnetism feature. #425, point 3.

* code review fixes
Back-merge of the v1.8.0 squash commit (identical tree to e7e3693) so that
develop can be merged into master without conflicts.

Co-Authored-By: Claude Fable 5.1 <noreply@anthropic.com>
@easyscience easyscience Bot added the [bot] release Automated release PR. Excluded from changelog/versioning label Oct 19, 2026

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This pull request does not contain a valid label. Please add one of the following labels: ['chore', 'fix', 'bugfix', 'bug', 'enhancement', 'feature', 'dependencies', 'documentation']

@rozyczko
rozyczko merged commit 5d943c5 into master Oct 19, 2026
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