Change Log for SpectraFit package for 0.x.x¶

v0.16.0¶

• Add Cumulative Distribution Function to the SpectraFit package
• Refactor the model.py of SpectraFit package

v0.15.1¶

• Maintenance of the SpectraFit package

v0.15.0¶

• Add plugins to the SpectraFit package for working with RIXS data
• pikle-file converter and visualizer for RIXS data
• Simplify the SpectraFit continous deployment by using build

v0.14.0¶

• Add SpectraFit to Conda-Forge as spectrafit package.
• Extend SpectraFit to print current peak values as dataframe in Jupyter-Notebook.
• Add converters for input-, output-, and data-files.
• Add extended output-print for SpectraFit in Jupyter-Notebook.

v0.13.1¶

• Fix crashed regression analysis due to negative values in the y-data.

v0.13.0¶

• Update devcontainer to use VScode.
• Removed fish-shell from devcontainer.
• Applied code refactoring performed by Copilot Labs

v0.12.5¶

• Updating spectrafit-installer in Dockerfile.
• Adding images to Jupyter-Notebook-Examples.

v0.12.4¶

• Include metric plots into the jupyter-notebook interface.
• Removed dash dependency from pyproject.toml.
• Removed spectrafit-dependency from Dockerfile.

v0.12.3¶

• Update Dockerimage to the previous version of the Conda-Forge-Recipe.
• Reformat license in the docs.

v0.12.2.¶

• Update Dockerimage to use SpectraFit in the Jupyter Notebook.

v0.12.1¶

• New release for triggering Conda-Forge build

v0.12.0¶

• Adding metrics for regression analysis as part of the post analysis; see also sklearn-metrics-regression
• Add art for generating ASCII Decor in the terminal / output.
• Using transposed dataframes for the tabulated output to the terminal.
• Change global to global_ to avoid keyword clash.
• Add plugin for jupyter-notebook integration in VSCode; see also jupyter-notebook-VSCode
• Change Dockerimage to use jupyter/scipy as base image, see also SpectraFit-Dockerfile
• Adding devcontainer for VSCode; see also devcontainer
• Change from to_dict(orient="list") to to_dict(orient="split") for the json output for including the index.
• Add link to the GitHub Advisory Database for security issues in the Security nodes.
• Add CI-Test for devcontainer in VSCode; see also devcontainer-ci.
• Add pyupgrade to pre-commit hooks.

v0.11.0¶

• Focus on maintenance fixed for the spectrafit package:
• Synk security vulnerabilities fixed
• SonarCloud code quality fixed

v0.10.4¶

• Update docs with topics: `Changelog, README, Security, Licencse
• Add docs for conda installation

v0.10.1 - v.10.3¶

• Downgrading numdifftools and openpyxl for compatibility with the conda-forge-formula

v0.10.0¶

• Refactor the pyproject.toml file for getting it working with conda.

v0.9.0¶

• Adding Python 3.10 support
• Adding Athena file support
• Increasing code quality by using pylint
• Adding plugin support for SpectraFit
• Starting with input file converter

v0.8.6¶

• Updating the way of poetry caching
• Update docker actions
• Fixed typo in README.md

v0.8.3 - v0.8.5¶

• Dependency and GitHub Action Updates

v0.8.2¶

• Refactor buffer of the covariance matrix

v0.8.1¶

• Updating all raise statements
• Add prettier to CI/CD workflow

v0.8.0¶

• Introduced smaller enhancement:
• Printout of the fit parameters in the output file: True/False → [0, 1, 2]
• Keyword check for SpectraFit
• Fix smaller bugs:
• Pseudo-Voigt power factor from 0.25 → 0.2
• Correct type-definitions for SpectraFit

v0.7.1¶

• Maintenance of the SpectraFit package

v0.7.0¶

• Introducing automatic peak detection for spectra fitting; see also SciPy's find_peaks

v0.6.1¶

• Reformat the README.md for PyPi - SpectraFit

v0.6.0¶

• Introduce the Global-Fitting option, which allows to fit the several spectra with a single model.
• Changed the input for Pseudo-Voigt:
• fwhm_g → fwhmg
• fwhm_l → fwhml
• Changed the input for Gaussian-FWHM and Lorentzian-FWHM:
• fwhm → fwhmg
• fwhm → fwhml
• Changed the input for Voigt-FWHM:
• fwhm → fwhmv
• Adding error-handling for not determatination of Confiden Interval.

v0.5.6¶

• CI/CD pipeline is now token-protected.

v0.5.5¶

• Removed the setuptools==57.5.0 limitation due to formally Python2.7.

v0.5.4¶

• Adding a stale boot for keeping the issue and PRs up-to-date.

v0.5.3¶

• Extending unit tests to the SpectraFit package.

v0.5.2¶

• Adding maintainer to the pyproject.yml file.

v0.5.1¶

• Minor fix of broken links in docs.

v0.5.0¶

• Rewrite SpectraFit main to become a more object-oriented approach.
• Increase the coverage quality of the tests.

v0.4.2¶

• Removed the GIT LFS integration for avoiding trouble with broken images.
• Adding YAML-Forms as pull request template.

v0.4.1¶

• Change from MarkDown based issue templates to YAML-Forms by GitHub as issue and feature request templates.

v0.4.0¶

• Create SECURITY policy for the spectrafit application.
• Adding dependabot for updating poetry.lock, pyproject.toml and GitHub Action workflow.
• Adding a codeql-analysis
• Increasing the coverage level

v0.3.2¶

• Replaced poetry hosted pre-commit hook with pre-commit action.
• Extend pre-commit hook MyPy.
• Fixed a bug for the energy range separation.
• Removed the --display option.

v0.3.1¶

• Introducing pytest and coverage for increasing code quality.
• Adding codecov.io into the GitHub actions workflow.
• Updating the contribution guideline with inside milestones.

v0.2.4¶

• Adding a Docker Workflow via https://ghcr.io/anselmoo/spectrafit:latest.
• Poetry for PyPi release via https://pypi.org/project/spectrafit/.

v0.2.0¶

• Changed from text file based input to object based input.
• Extended matplotlib with seaborn for the plotting.
• Start outsourcing code into submodules.

v0.1.0¶

• The orginal program fastfit is now running as spectrafit with an own installer besed on POETRY.

See also: https://github.com/Anselmoo/spectrafit/releases