2021-11-07 12:58:47 by Adam Ciarcinski | Files touched by this commit (3) | |
Log message:
py-lmfit: updated to 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
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
- preserve Parameters subclass in deepcopy
- coerce ``data`` and ``indepdent_vars`` to NumPy array with ``dtype=float64`` \
or ``dtype=complex128`` where applicable
- fix collision between parameter names in built-in models and user-specified \
parameters
- correct error message in PolynomialModel
- improved handling of altered JSON data
- map ``max_nfev`` to ``maxiter`` when using ``differential_evolution``
- correct use of noise versus experimental uncertainty in the documentation
- 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``
- fix ``dho`` (Damped Harmonic Oscillator) lineshape
- reset ``Minimizer._abort`` to ``False`` before starting a new fit
- fix typo in ``guess_from_peak2d``
Various:
- update asteval dependency to >= 0.9.22 to avoid DeprecationWarnings from \
NumPy v1.20.0
- remove incorrectly spelled ``DonaichModel`` and ``donaich`` lineshape, \
deprecated in version 1.0.1
- remove occurrences of OrderedDict throughout the code; dict is \
order-preserving since Python 3.6
- update the contributing instructions
- (again) defer import of matplotlib to when it is needed
- fix description of ``name`` argument in ``Parameters.add``
- update dependencies, make sure a functional development environment is \
installed on Windows
- use ``setuptools_scm`` for version info instead of ``versioneer``
- transition to using ``f-strings``
- mark ``test_manypeaks_speed.py`` as flaky to avoid intermittent test failures
- update scipy dependency to >= 1.14.0
- improvement to output of examples in sphinx-gallery and use higher resolution \
figures
- remove deprecated functions ``lmfit.printfuncs.report_errors`` and ``asteval`` \
argument in ``Parameters`` class
.. _whatsnew_102_label:
Version 1.0.2 Release Notes (February 7, 2021)
==============================================
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
- all built-in models are now registered in ``lmfit.models.lmfit_models``; new \
Model class attribute ``valid_forms``
- added a SineModel
- add the ``run_mcmc_kwargs argument`` to ``Minimizer.emcee`` to pass to the \
``emcee.EnsembleSampler.run_mcmc`` function
Bug fixes:
- ``ModelResult.eval_uncertainty`` should use provided Parameters
- center in lognormal model can be negative
- restore best-fit values after calculation of covariance matrix
- add helper-function ``not_zero`` to prevent ZeroDivisionError in lineshapes \
and use in exponential lineshape
- save ``last_internal_values`` and use to restore internal values if fit is aborted
- dumping a fit using the ``lbfgsb`` method now works, convert bytes to string \
if needed
- fix use of callable Jacobian for scalar methods
- preserve float/int types when encoding for JSON
- better support for saving/loading of ExpressionModels and assure that \
``init_params`` and ``init_fit`` are set when loading a ``ModelResult``
Various:
- update minimum dependencies
- improvements in coding style, docstrings, CI, and test coverage
- fix typo in Oscillator
- add example using SymPy
- allow better custom pool for emcee()
- update NIST Strd reference functions and tests
- make building of documentation cross-platform
- relax module name check in ``test_check_ast_errors`` for Python 3.9
- fix/update layout of documentation, now uses the sphinx13 theme
- fixed DeprecationWarnings reported by NumPy v1.2.0
- increase value of ``tiny`` and check for it in bounded parameters to avoid \
"parameter not moving from initial value"
- add ``max_nfev`` to ``basinhopping`` and ``brute`` (now supported everywhere \
in lmfit) and set to more uniform default values
- use Azure Pipelines for CI, drop Travis
|
2021-10-26 12:56:13 by Nia Alarie | Files touched by this commit (458) |
Log message:
math: Replace RMD160 checksums with BLAKE2s checksums
All checksums have been double-checked against existing RMD160 and
SHA512 hashes
|
2021-10-07 16:28:36 by Nia Alarie | Files touched by this commit (458) |
Log message:
math: Remove SHA1 hashes for distfiles
|
2021-04-09 16:41:35 by Tobias Nygren | Files touched by this commit (14) |
Log message:
revert wrong fix for py-scipy python 3.6 deprecation, fix properly
|
2020-05-13 17:36:27 by Adam Ciarcinski | Files touched by this commit (3) | |
Log message:
py-lmfit: updated to 1.0.1
Version 1.0.1 Release Notes
============================
**Version 1.0.1 is the last release that supports Python 3.5**. All newer \
version will
require 3.6+ so that we can use formatting-strings and rely on dictionaries \
being ordered.
New features:
- added thermal distribution model and lineshape
- introduced a new argument ``max_nfev`` to uniformly specify the maximum number \
of function evalutions
**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
- ``guess_from_peak`` function now also works correctly with decreasing x-values \
or when using
pandas
- the ``Parameter.set()`` method now correctly first updates the boundaries and \
then the value
Various:
- fixed typo for the use of expressions in the documentation
- removal of PY2-compatibility and unused code and improved test coverage
- removed deprecated ``isParameter`` function and automatic conversion of an \
``uncertainties`` object
- inaccurate FWHM calculations were removed from built-in models, others labeled \
as estimates
- corrected spelling mistake for the Doniach lineshape and model
- removed unsupported/untested code for IPython notebooks in lmfit/ui/*
|
2020-04-28 15:27:03 by Adam Ciarcinski | Files touched by this commit (2) | |
Log message:
py-lmfit: updated to 1.0.0
Version 1.0.0 Release Notes
New features:
- no new features are introduced in 1.0.0.
Improvements:
- support for Python 2 and use of the ``six`` package are removed.
Various:
- documentation updates to clarify the use of ``emcee``.
|
2020-01-19 00:36:14 by Roland Illig | Files touched by this commit (3046) |
Log message:
all: migrate several HOMEPAGEs to https
pkglint --only "https instead of http" -r -F
With manual adjustments afterwards since pkglint 19.4.4 fixed a few
indentations in unrelated lines.
This mainly affects projects hosted at SourceForce, as well as
freedesktop.org, CTAN and GNU.
|
2019-06-15 09:21:21 by Adam Ciarcinski | Files touched by this commit (2) | |
Log message:
py-lmfit: updated to 0.9.13
Version 0.9.13 Release Notes
New features:
Clearer warning message in fit reports when uncertainties should but cannot be \
estimated, including guesses of which Parameters to examine
SplitLorenztianModel and split_lorentzian function
HTML representations for Parameter, MinimizerResult, and Model so that they can \
be printed better with Jupyter
support parallelization for differential evolution
Bug fixes:
delay import of matplotlib (and so, the selection of its backend) as late as possible
fix for saving, loading, and reloading ModelResults
fix to leastsq to report the best-fit values, not the values tried last
fix synchronization of all parameter values on Model.guess()
improve deprecation warnings for outdated nan_policy keywords
fix for edge case in gformat()
Project managements:
using pre-commit framework to improve and enforce coding style
added code coverage report to github main page
updated docs, github templates, added several tests.
dropped support and testing for Python 3.4.
|
2018-12-03 21:41:44 by Adam Ciarcinski | Files touched by this commit (2) | |
Log message:
py-lmfit: updated to 0.9.12
Version 0.9.12 Release Notes
New features:
- SkewedVoigtModel was added as built-in model
- Parameter uncertainties and correlations are reported for least_squares
- Plotting of complex-valued models is now handled in ModelResult class
- A model's independent variable is allowed to be an object
- Added usersyms to Parameters() initialization to make it easier to add custom \
functions and symbols
- the numdifftools package can be used to calculate parameter uncertainties and \
correlations for all solvers that do not natively support this
- emcee can now be used as method keyword-argument to Minimizer.minimize and \
minimize function, which allows for using emcee in the Model class
(Bug)fixes:
- asteval errors are now flushed after raising
- max_time and evaluation time for ExpressionModel increased to 1 hour
- loading a saved ModelResult now restores all attributes
- development versions of scipy and emcee are now supported
- ModelResult.eval() do no longer overwrite the userkws dictionary
- running the test suite requires pytest only
- improved FWHM calculation for VoigtModel
|
2018-07-13 08:22:35 by Adam Ciarcinski | Files touched by this commit (3) | |
Log message:
py-lmfit: updated to 0.9.11
0.9.11:
make exception explicit
0.9.10:
add AMPGO and basin-hopping global optimization methods.
aborting a fit from the objective function now raises AbortFitException
fit statistics are more uniformly calculated.
the uncertainties package is now an external dependency, and an out-dated copy \
is no longer kept in lmfit.
more exceptions when import matplotlib are now tolerated.
many documentation fixes.
|