Bump lmfit from 1.0.0 to 1.1.0

[dependabot]

Bumps lmfit from 1.0.0 to 1.1.0.

Release notes

Sourced from lmfit's releases.

1.1.0

Version 1.1.0 Release Notes (November 27, 2022)

Supported Python Versions: 3.7, 3.8, 3.9, 3.10, 3.11 Minimal requirements: numpy>=1.19, scipy>=1.6, uncertainties>=3.1.4, asteval>=0.9.28

New features:

• add Pearson4Model (@​lellid; PR #800)
• add SplineModel (PR #804)
• add R^2 rsquared statistic to fit outputs and reports for Model fits (Issue #803; PR #810)
• add calculation of dely for model components of composite models (Issue #761; PR #826)

Bug fixes/enhancements:

• make sure variable spercent is always defined in params_html_table functions (reported by @​MySlientWind; Issue #768, PR #770)
• always initialize the variables success and covar the MinimizerResult (reported by Marc W. Pound; PR #771)
• build package following PEP517/PEP518; use pyproject.toml and setup.cfg; leave setup.py for now (PR #777)
• components used to create a CompositeModel can now have different independent variables (@​Julian-Hochhaus; Discussion #787; PR #788)
• fixed function definition for StepModel(form='linear'), was not consistent with the other ones (@​matpompili; PR #794)
• fixed height factor for Gaussian2dModel, was not correct (@​matpompili; PR #795)
• for covariances with negative diagonal elements, we set the covariance to None (PR #813)
• fixed linear mode for RectangleModel (@​arunpersaud; Issue #815; PR #816)
• report correct initial values for parameters with bounds (Issue #820; PR #821)
• allow recalculation of confidence intervals (@​jagerber48; PR #798)
• include 'residual' in JSON output of ModelResult.dumps (@​mac01021; PR #830)
• supports and is tested against Python 3.11; updated minimum required version of SciPy, NumPy, and asteval (PR #832)

Deprecations:

• remove support for Python 3.6 which reached EOL on 2021-12-23 (PR #790)

1.0.4rc1

Version 1.0.4rc1

New features:

• add calculation of dely for model components of composite models (Issue #761; PR #826)
• add R^2 rsquared statistic to fit outputs and reports for Model fits (Issue #803; PR #810)
• add SplineModel (PR #804)
• add Pearson4Model (@​lellid; PR #800)

Bug fixes/enhancements:

• make sure variable spercent is always defined in params_html_table functions (reported by @​MySlientWind; Issue #768, PR #770)
• always initialize the variables success and covar the MinimizerResult (reported by Marc W. Pound; PR #771)

... (truncated)

Changelog

Sourced from lmfit's changelog.

Version 1.1.0 Release Notes (November 27, 2022)

New features:

• add Pearson4Model (@​lellid; PR #800)
• add SplineModel (PR #804)
• add R^2 rsquared statistic to fit outputs and reports for Model fits (Issue #803; PR #810)
• add calculation of dely for model components of composite models (Issue #761; PR #826)

Bug fixes/enhancements:

• make sure variable spercent is always defined in params_html_table functions (reported by @​MySlientWind; Issue #768, PR #770)
• always initialize the variables success and covar the MinimizerResult (reported by Marc W. Pound; PR #771)
• build package following PEP517/PEP518; use pyproject.toml and setup.cfg; leave setup.py for now (PR #777)
• components used to create a CompositeModel can now have different independent variables (@​Julian-Hochhaus; Discussion #787; PR #788)
• fixed function definition for StepModel(form='linear'), was not consistent with the other ones (@​matpompili; PR #794)
• fixed height factor for Gaussian2dModel, was not correct (@​matpompili; PR #795)
• for covariances with negative diagonal elements, we set the covariance to None (PR #813)
• fixed linear mode for RectangleModel (@​arunpersaud; Issue #815; PR #816)
• report correct initial values for parameters with bounds (Issue #820; PR #821)
• allow recalculation of confidence intervals (@​jagerber48; PR #798)
• include 'residual' in JSON output of ModelResult.dumps (@​mac01021; PR #830)
• supports and is tested against Python 3.11; updated minimum required version of SciPy, NumPy, and asteval (PR #832)

Deprecations:

• remove support for Python 3.6 which reached EOL on 2021-12-23 (PR #790)

.. _whatsnew_103_label:

Version 1.0.3 Release Notes (October 14, 2021)

Potentially breaking change:

• argument x is now required for the guess method of Models (Issue #747; PR #748)

To get reasonable estimates for starting values one should always supply both x and y values; in some cases it would work when only providing data (i.e., y-values). With the change above, x is now required in the guess method call, so scripts might need to be updated to explicitly supply x.

Bug fixes/enhancements:

• do not overwrite user-specified figure titles in Model.plot() functions and allow setting with title keyword argument (PR #711)
• preserve Parameters subclass in deepcopy (@​jenshnielsen; PR #719)
• coerce data and indepdent_vars to NumPy array with dtype=float64 or dtype=complex128 where applicable (Issues #723 and #728)
• fix collision between parameter names in built-in models and user-specified parameters (Issue #710 and PR #732)
• correct error message in PolynomialModel (@​kremeyer; PR #737)

... (truncated)

Commits

• c2de93c add release date for v 1.1.0
• 8790001 DOC: small changes to whatsnew.rst
• 0ca168a MAINT/CI: update pre-commit hooks
• 36ef5cf CI: update to latest NumPy version
• 2ff1cf9 MAINT: add all keywords for least_squares
• fc1ab32 MAINT: update keywords for leastsq, follow SciPy's defaults
• 85ee434 MAINT: update keywords for basinhopping for SciPy v1.8 and above
• 77fee80 MAINT: update keywords for shgo for SciPy v1.7 and above
• 17135ad MAINT: update keywords for dual_annealing for SciPy v1.8 and above
• 1b25a31 BLD: update minimum requirements for SciPy, NumPy, and asteval
• Additional commits viewable in compare view

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