Revisions of python-lmfit

buildservice-autocommit accepted request 1105318 from Markéta Machová's avatar Markéta Machová (mcalabkova) (revision 10)
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Markéta Machová's avatar Markéta Machová (mcalabkova) accepted request 1105049 from Markéta Machová's avatar Markéta Machová (mcalabkova) (revision 9)
- Update to 1.2.2
  * add create_params function
  * add ModelResult.summary() to return many resulting fit statistics 
    and attributes into a JSON-able dict.
  * update tests for latest versions of NumPy and SciPy.
  * Coercing of user input data and independent data for Model to 
    float64 ndarrays is somewhat less aggressive and will not increase 
    the precision of numpy ndarrays
  * improve Model.make_params and create_params to take optional dict 
    of Parameter attributes
  * Outputs of residual functions, including Model._residual, are more
    explicitly coerced to 1d-arrays of datatype Float64. This decreases the
    expectation for the user-supplied code to return ndarrays, and increases
    the tolerance for more “array-like” objects or ndarrays that are not
    Float64 or 1-dimensional.
buildservice-autocommit accepted request 1058764 from Matej Cepl's avatar Matej Cepl (mcepl) (revision 8)
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Matej Cepl's avatar Matej Cepl (mcepl) accepted request 1058273 from Benjamin Greiner's avatar Benjamin Greiner (bnavigator) (revision 7)
- Update to v1.1.0
  ## 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
Matej Cepl's avatar Matej Cepl (mcepl) accepted request 942992 from Benjamin Greiner's avatar Benjamin Greiner (bnavigator) (revision 6)
- Update to v1.0.3
  **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
buildservice-autocommit accepted request 873457 from Markéta Machová's avatar Markéta Machová (mcalabkova) (revision 5)
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Markéta Machová's avatar Markéta Machová (mcalabkova) accepted request 873450 from Benjamin Greiner's avatar Benjamin Greiner (bnavigator) (revision 4)
- Update to version 1.0.2
  * officially supports Python 3.9 and has dropped support for 
    Python 3.5. The minimum version of the following dependencies 
    were updated: asteval>=0.9.21, numpy>=1.18, and scipy>=1.3.
   New features:
  * added two-dimensional Gaussian lineshape and model (PR #642; 
    @mpmdean)
  * all built-in models are now registered in lmfit.models.
    lmfit_models; new Model class attribute valid_forms (PR #663; 
    @rayosborn)
  * added a SineModel (PR #676; @lneuhaus)
  * add the run_mcmc_kwargs argument to Minimizer.emcee to pass to 
    the emcee.EnsembleSampler.run_mcmc function (PR #694; @rbnvrw)
- Skip python36 build: Numpy 1.20 dropped support for Python 3.6
  (NEP 29)
Dominique Leuenberger's avatar Dominique Leuenberger (dimstar_suse) accepted request 814851 from Tomáš Chvátal's avatar Tomáš Chvátal (scarabeus_iv) (revision 3)
initialized devel package after accepting 814851
Tomáš Chvátal's avatar Tomáš Chvátal (scarabeus_iv) committed (revision 2)
- Skip two failing tests that are borked on non 64bit intel
Tomáš Chvátal's avatar Tomáš Chvátal (scarabeus_iv) accepted request 812430 from John Paul Adrian Glaubitz's avatar John Paul Adrian Glaubitz (glaubitz) (revision 1)
- Update to version 1.0.1
  + New features:
    - added thermal distribution model and lineshape (PR #620; @mpmdean)
    - introduced a new argument ``max_nfev`` to uniformly specify the maximum
      number of function evalutions (PR #610)
      **Please note: all other arguments (e.g., ``maxfev``, ``maxiter``, ...)
      will no longer be passed to the underlying solver. A warning will be emitted
      stating that one should use ``max_nfev``.**
    - the attribute ``call_kws`` was added to the ``MinimizerResult`` class and
      contains the keyword arguments that are supplied to the solver in SciPy.
  + Bug fixes:
    - fixes to the ``load`` and ``__setstate__`` methods of the Parameter class
    - fixed failure of ModelResult.dump() due to missing attributes
      (Issue #611, PR #623; @mpmdean)
    - ``guess_from_peak`` function now also works correctly with decreasing
       x-values or when using pandas (PRs #627 and #629; @mpmdean)
    - the ``Parameter.set()`` method now correctly first updates the boundaries
      and then the value (Issue #636, PR #637; @arunpersaud)
  + Various:
    - fixed typo for the use of expressions in the documentation
      (Issue #610; @jkrogager)
    - removal of PY2-compatibility and unused code and improved test
      coverage (PRs #619, #631, and #633)
    - removed deprecated ``isParameter`` function and automatic conversion of
      an ``uncertainties`` object (PR #626)
    - inaccurate FWHM calculations were removed from built-in models, others
      labeled as estimates (Issue #616 and PR #630)
    - corrected spelling mistake for the Doniach lineshape and model
      (Issue #634; @rayosborn)
    - removed unsupported/untested code for IPython notebooks in lmfit/ui/*
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