Adding a CHANGELOG file

.github/PULL_REQUEST_TEMPLATE.md

@@ -0,0 +1,12 @@
+<!-- What does this implement/fix? Explain your changes here. -->
+
+
+Contributor (creator of PR) checklist
+-------------------------------------
+ - [ ] Tests updated (for new features and bugfixes)?
+ - [ ] Documentation updated (for new features)?
+ - [ ] Issue referenced (for PRs that solve an issue)?
+
+For Reviewer
+------------
+ - [ ] CHANGELOG updated if important change?

CHANGELOG

@@ -0,0 +1,82 @@
+CHANGELOG file
+--------------
+
+The rules for CHANGELOG file:
+
+- entries are sorted newest-first
+- summarize sets of changes (do not reproduce every git log comment here).
+- do not ever delete anything
+- keep the format consistent (88 char width, Y/M/D date format) and do not use tabs but
+  use spaces for formatting
+
+.. inclusion-marker-changelog-start
+
+0.2.0 (2023/08/24)
+------------------
+
+- Add this ``CHANGELOG`` file (#198)
+- Update example of WHO feature selection (#212)
+- Rename ``RidgeRegression2FoldCV`` -> ``Ridge2FoldCV`` (#211)
+- Adding metrics for prediction rigidity (#209)
+- Overhaul of documentation page (#200 to #204)
+- Rename and add member variables (#197)
+- Fix/check estimator (#196)
+- fixed small typo in ``PCovR`` class documentation (#194)
+- Resolved Issue WHO dataset missing function call section in doc (#181, #192)
+- Speeding up tests (#190)
+- Removing kernel optimization from who example (#189)
+- Ignore rendered examples for linting (#188)
+- Add more infos on documentation landing pages & ``CODE_OF_CONDUCT`` (#186)
+- Add contributors pictures to ``README``, show pip install instructions in docs (#185)
+- Add linting and tests for docstring and documentation code (#184)
+- Rerestructure requirements after (#171, #183)
+- Update ``README.md`` to show banners (#176)
+- Modernize package infrastructure (#172)
+- Add an example of GCH for molecular materials (#171)
+- Port examples to ``sphinx_gallery`` (#170)
+
+0.1.4 (2023/03/14)
+------------------
+
+- documentation formatting fixes for math and datasets (#161, #163)
+- changing the way the distance to the convex hull is computed in the
+  ``DirectionalConvexHull`` due to numerical issues with the old method (#165)
+
+0.1.3 (2023/03/02)
+------------------
+
+- Refactor ``scikit-cosmo`` to ``scikit-matter`` (#157, #151)
+- Deprecation warning was added to link to renamed package (#154)
+- dropped Python `<3.8` support, because we are now using ``scikit-learn`` version
+  `>=1.1.0` (#139, #146, #152)
+- WHO dataset and examples were added (#149)
+- nice dataset was added (#143)
+- overhaul of documentation (#142, #150)
+- added ``DirectionalConvexHull`` class (#140)
+- added test_precomputed_regression function to ``KPCovR`` (#136)
+- other bugfixes (#141, #148)
+
+
+0.1.2 (2022/07/04)
+------------------
+
+- fixed a bug in the orthonormalization step of ``PCov-CUR`` (#118)
+- users can now initialize ``FPS`` selecting using a list of selected points, allowing
+  to restart the selection in the middle (#116)
+- KPCovR is now able to use pre-fitted regressor in the same way that ``PCovR`` can
+  (#113)
+
+0.1.1 (2021/11/30)
+------------------
+
+- fixed a bug in the ``orthonormalization`` step of ``PCov-CUR`` (#118)
+- users can now initialize ``FPS`` selecting using a list of selected points, allowing to
+  restart the selection in the middle (#116)
+- KPCovR is now able to use pre-fitted regressor in the same way that ``PCovR`` can (#113)
+
+0.1.0 (2021/05/12)
+------------------
+
+- first release out of the lab
+
+.. inclusion-marker-changelog-end

contributors.txt

@@ -4,4 +4,5 @@ Sergei Kliavinek
 Alexander Goscinski
 Benjamin A. Helfrecht
 Victor P. Principe
+Philip Loche
 Michele Ceriotti

docs/src/changelog.rst

@@ -0,0 +1,6 @@
+Changelog
+=========
+
+.. include:: ../../CHANGELOG
+   :start-after: inclusion-marker-changelog-start
+   :end-before: inclusion-marker-changelog-end

docs/src/index.rst

@@ -82,6 +82,7 @@
   references/index
   tutorials
   contributing
+  changelog
   bibliography
 
 If you would like to contribute to scikit-matter, check out our :ref:`contributing`

pyproject.toml

@@ -15,13 +15,14 @@ authors = [
     {name = "Alexander Goscinski"},
     {name = "Benjamin A. Helfrecht"},
     {name = "Victor P. Principe"},
+    {name = "philip Loche"},
     {name = "Michele Ceriotti"}
 ]
 readme = "README.rst"
 requires-python = ">=3.8"
 license = {text = "BSD-3-Clause"}
 classifiers = [
-    "Development Status :: 3 - Alpha",
+    "Development Status :: 4 - Beta",
     "Environment :: Console",
     "Intended Audience :: Science/Research",
     "License :: OSI Approved :: BSD License",
@@ -52,8 +53,9 @@ examples = [
 [project.urls]
 homepage = "http://scikit-matter.readthedocs.io"
 documentation = "http://scikit-matter.readthedocs.io"
-repository = "https://github.com/lab-cosmo/scikit-matter"
-issues = "https://github.com/lab-cosmo/scikit-matter/issues"
+repository = "https://github.com/scikit-learn-contrib/scikit-matter"
+issues = "https://github.com/scikit-learn-contrib/scikit-matterissues"
+changelog = "http://scikit-matter.readthedocs.io/en/latest/changelog.html"
 
 [tool.setuptools.packages.find]
 where = ["src"]

src/skmatter/__init__.py

@@ -7,4 +7,4 @@
 coding guidelines to promote usability and interoperability with existing workflows.
 """
 
-__version__ = "0.1.4"
+__version__ = "0.2.0"