lmfit/lmfit-py: 1.0.3

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)
• improved handling of altered JSON data (Issue #739; PR #740, reported by Matthew Giammar)
• map max_nfev to maxiter when using differential_evolution (PR #749, reported by Olivier B.)
• correct use of noise versus experimental uncertainty in the documentation (PR #751, reported by Andrés Zelcer)
• specify return type of eval method more precisely and allow for plotting of (Complex)ConstantModel by coercing their float, int, or complex return value to a numpy.ndarray (Issue #684 and PR #754)
• fix dho (Damped Harmonic Oscillator) lineshape (PR #755; @rayosborn)
• reset Minimizer._abort to False before starting a new fit (Issue #756 and PR #757; @azelcer)
• fix typo in guess_from_peak2d (@ivan-usovl; PR #758)

Various:

• update asteval dependency to >= 0.9.22 to avoid DeprecationWarnings from NumPy v1.20.0 (PR #707)
• remove incorrectly spelled DonaichModel and donaich lineshape, deprecated in version 1.0.1 (PR #707)
• remove occurrences of OrderedDict throughout the code; dict is order-preserving since Python 3.6 (PR #713)
• update the contributing instructions (PR #718; @martin-majlis)
• (again) defer import of matplotlib to when it is needed (@zobristnicholas; PR #721)
• fix description of name argument in Parameters.add (@kristianmeyerr; PR #725)
• update dependencies, make sure a functional development environment is installed on Windows (Issue #712)
• use setuptools_scm for version info instead of versioneer (PR #729)
• transition to using f-strings (PR #730)
• mark test_manypeaks_speed.py as flaky to avoid intermittent test failures (repeat up to 5 times; PR #745)
• update scipy dependency to >= 1.14.0 (PR #751)
• improvement to output of examples in sphinx-gallery and use higher resolution figures (PR #753)
• remove deprecated functions lmfit.printfuncs.report_errors and asteval argument in Parameters class (PR #759)