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Merged
merged 1 commit into from
Mar 11, 2023
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feat: 📝 Change from mkdocs to mike #662

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2 changes: 1 addition & 1 deletion .github/workflows/python-ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -107,7 +107,7 @@ jobs:
run: poetry run mkdocs build --clean
- name: Deploy documentation develops
if: contains(github.ref, 'refs/heads/main')
run: poetry run mkdocs gh-deploy --clean --force
run: poetry run mike deploy --push --update-aliases ${GITHUB_REF_NAME::-2} latest
devcontainer:
name: Devcontainer
needs: build
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2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ repos:
rev: v4.4.0
hooks:
- id: check-yaml
exclude: mkdocs.yaml
exclude: mkdocs.yml
- id: check-toml
exclude: poetry.lock
- id: check-json
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364 changes: 0 additions & 364 deletions docs/changelog.md
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@@ -1,365 +1 @@
--8<-- "CHANGELOG.md"

## Old Changes

---

## v0.16.0

---

- Add [Cumulative Distribution Function][38] 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][36] data
- `pikle`-file converter and visualizer for [RIXS][36] data
- Simplify the `SpectraFit` continous deployment by using [build][37]

## v0.14.0

---

- Add `SpectraFit` to [Conda-Forge][2] as [spectrafit][3] 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`][34] from `devcontainer`.
- Applied code refactoring performed by [Copilot Labs][35]

## v0.12.5

---

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

## v0.12.4

---

- Include metric plots into the [jupyter-notebook][25] 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][33].
- 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][23]
- Add [art][24] 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][25] integration in VSCode; see also
[jupyter-notebook-VSCode][26]
- Change `Dockerimage` to use [jupyter/scipy][27] as base image, see also
[SpectraFit-Dockerfile][31]
- Adding devcontainer for VSCode; see also [devcontainer][30]
- 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][28] for security issues in the
`Security nodes`.
- Add CI-Test for `devcontainer` in VSCode; see also [devcontainer-ci][29].
- Add [`pyupgrade`][32] to pre-commit hooks.

## v0.11.0

---

- Focus on maintenance fixed for the `spectrafit` package:
- [Synk][21] security vulnerabilities fixed
- [SonarCloud][22] 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][20]

## 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][19] support
- Increasing code quality by using [`pylint`][18]
- 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][17] to CI/CD workflow

## v0.8.0

---

- Introduced smaller enhancement:
- Printout of the fit parameters in the output file: True/False &#8594; [0, 1,
2]
- Keyword check for `SpectraFit`
- Fix smaller bugs:
- `Pseudo-Voigt` power factor from 0.25 &#8594; 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`][16]

## v0.6.1

---

- Reformat the [README.md][14] for [PyPi - SpectraFit][15]

## 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`_ &#8594; **`fwhmg`**
- _`fwhm_l`_ &#8594; **`fwhml`**
- Changed the input for **Gaussian-FWHM** and **Lorentzian-FWHM**:
- _`fwhm`_ &#8594; **`fwhmg`**
- _`fwhm`_ &#8594; **`fwhml`**
- Changed the input for **Voigt-FWHM**:
- _`fwhm`_ &#8594; **`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][13] 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`][12] integration for avoiding trouble with broken
images.
- Adding [`YAML`-Forms][11] as pull request template.

## v0.4.1

---

- Change from `MarkDown` based issue templates to [`YAML`-Forms][11] by GitHub
as issue and feature request templates.

## v0.4.0

---

- Create [SECURITY policy][8] for the `spectrafit` application.
- Adding [dependabot][9] for updating `poetry.lock`, `pyproject.toml` and GitHub
Action workflow.
- Adding a [codeql-analysis][10]
- Increasing the coverage level

## v0.3.2

---

- Replaced poetry hosted `pre-commit` hook with [pre-commit action][6].
- Extend `pre-commit` hook [MyPy][7].
- 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`][5] into the GitHub actions workflow.
- Updating the [contribution guideline][4] with inside milestones.

## v0.2.4

---

- Adding a Docker Workflow via [https://ghcr.io/anselmoo/spectrafit:latest][2].
- Poetry for PyPi release via [https://pypi.org/project/spectrafit/][3].

## 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](https://python-poetry.org).

> See also: [https://github.com/Anselmoo/spectrafit/releases][1]

[1]: https://github.com/Anselmoo/spectrafit/releases
[2]: https://ghcr.io/anselmoo/spectrafit:latest
[3]: https://pypi.org/project/spectrafit/
[4]: https://github.com/Anselmoo/spectrafit/blob/main/CONTRIBUTING.md
[5]: https://codecov.io/gh/Anselmoo/spectrafit
[6]: https://github.com/marketplace/actions/pre-commit
[7]: https://mypy.readthedocs.io/en/stable/
[8]: https://github.com/Anselmoo/spectrafit/security
[9]: https://dependabot.com
[10]: https://securitylab.github.com/tools/codeql/
[11]: https://docs.github.com/en/communities/using-templates-to-encourage-useful-issues-and-pull-requests/configuring-issue-templates-for-your-repository
[12]: https://git-lfs.github.com
[13]: https://github.com/apps/stale
[14]: https://github.com/Anselmoo/spectrafit/blob/main/README.md
[15]: https://pypi.org/project/spectrafit/
[16]: https://docs.scipy.org/doc/scipy/reference/generated/scipy.signal.find_peaks.html
[17]: https://prettier.io
[18]: https://github.com/PyCQA/pylint
[19]: http://bruceravel.github.io/demeter/documents/Athena/index.html
[20]: https://anaconda.org/conda-forge/spectrafit
[21]: https://docs.snyk.io/products/snyk-open-source/language-and-package-manager-support/snyk-for-python
[22]: https://sonarcloud.io
[23]: https://scikit-learn.org/stable/modules/model_evaluation.html
[24]: https://www.4r7.ir
[25]: https://jupyter.org
[26]: https://code.visualstudio.com/docs/datascience/jupyter-notebooks
[27]: https://github.com/jupyter/docker-stacks/blob/main/scipy-notebook/Dockerfile
[28]: https://github.com/advisories?query=type%3Areviewed+ecosystem%3Apip
[29]: https://github.com/marketplace/actions/devcontainers-ci
[30]: https://github.com/Anselmoo/spectrafit/pkgs/container/spectrafit-devcontainer
[31]: https://github.com/Anselmoo/spectrafit/pkgs/container/spectrafit
[32]: https://github.com/Anselmoo/spectrafit/blob/6ca69132a199d3bf458927cf3d4ce6f8fdef0eae/.pre-commit-config.yaml
[33]: https://github.com/conda-forge/spectrafit-feedstock
[34]: https://fishshell.com
[35]: https://githubnext.com/projects/copilot-labs/
[36]: https://en.wikipedia.org/wiki/Resonant_inelastic_X-ray_scattering
[37]: https://github.com/pypa/build
[38]: https://en.wikipedia.org/wiki/Cumulative_distribution_function
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