🚀 Prepare 0.5.0 release (#913)

* 🚀 Changed version from '0.5.0rc1' to '0.5.0'

* 📚⬆️ Updated changelog with changes since 0.5.0rc1

* ⬆️ Update changelog.md with final release date

pyglotaran v0.5.0 will be released Dec 1st 2021

* 📚 Add discord badge

* 📚 Update README

- Cleanup README
- Add Zenodo badge
- Update PyPi badge
- Add Community Support links
- Updated Discord invite link

* 📚⬆️ Updated changelog

Co-authored-by: Joris Snellenburg <[email protected]>

README.md

@@ -2,13 +2,15 @@
 
 pyglotaran is a Python library for Global and Target Analysis
 
-[![latest release](https://pypip.in/version/pyglotaran/badge.svg)](https://pypi.org/project/pyglotaran/)
+[![PyPI version](https://badge.fury.io/py/pyglotaran.svg)](https://badge.fury.io/py/pyglotaran)
 [![Conda Version](https://img.shields.io/conda/vn/conda-forge/pyglotaran.svg)](https://anaconda.org/conda-forge/pyglotaran)
 ![Tests](https://github.com/glotaran/pyglotaran/workflows/Tests/badge.svg)
 [![Documentation Status](https://readthedocs.org/projects/pyglotaran/badge/?version=latest)](https://pyglotaran.readthedocs.io/en/latest/?badge=latest)
 [![Binder](https://static.mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/glotaran/pyglotaran.git/main?urlpath=lab%2Ftree%2Fdocs%2Fsource%2Fnotebooks)
 [![Coverage Status](https://codecov.io/gh/glotaran/pyglotaran/branch/master/graph/badge.svg)](https://codecov.io/gh/glotaran/pyglotaran)
 [![Total alerts](https://img.shields.io/lgtm/alerts/g/glotaran/pyglotaran.svg?logo=lgtm&logoWidth=18)](https://lgtm.com/projects/g/glotaran/pyglotaran/alerts/)
+[![Discord](https://img.shields.io/discord/883443835135475753.svg?label=&logo=discord&logoColor=ffffff&color=7389D8&labelColor=6A7EC2)](https://discord.gg/KfnEYRSTJx)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5596073.svg)](https://doi.org/10.5281/zenodo.5596073)
 
 **Warning**: This is an _early access_ release, please refer to the [usage notice](#usage-notice) down below prior to committing to use pyglotaran to avoid surprises down the line.
 
@@ -31,23 +33,23 @@ pip install pyglotaran
 
 If you want to install it via conda, you can run the following command:
 
-```shell
+```console
 conda install -c conda-forge pyglotaran
 ```
 
 ### From Source
 
 To install from source, e.g. for testing or development purposes, run these commands in your shell/terminal:
 
-```shell
+```console
 git clone https://github.com/glotaran/pyglotaran.git
 cd pyglotaran
 pip install .
 ```
 
-\_To enforce the installation within a Python3 environment on systems where Python2 is the default, instead of the last command use `pip3 install .`.
+_**Note** (for Linux users): use pip3 instead of pip if Python2 is the system default Python installation._
 
-_Note for Anaconda Users: Please make sure to update your distribution prior to install since some packages managed by Anaconda cannot be updated by `pip`._
+_**Note** (for Anaconda users): please make sure to update your distribution prior to install since some packages managed by Anaconda cannot be updated by `pip`._
 
 ## Usage notice
 
@@ -71,9 +73,12 @@ Eventually, and hopefully sooner than later, a (scientific) publication about th
 
 Until then, enjoy your glimpse into the future.
 
-## Mailing List
+## Community Support
 
-[mailing-list](https://groups.google.com/forum/#!forum/glotaran)
+For questions / suggestion please reach out to us via:
+1. [GitHub issues](https://github.com/glotaran/pyglotaran/issues)
+2. [Discord](https://discord.gg/KfnEYRSTJx)
+3. [Google-Groups mailing list](https://groups.google.com/forum/#!forum/glotaran)
 
 ## Credits
 

changelog.md

@@ -1,23 +1,31 @@
 # Changelog
 
-## 0.5.0 (2021-10-24)
+## 0.5.0 (2021-12-01)
 
 ### ✨ Features
+
 - ✨ Feature: Megacomplex Models (#736)
 - ✨ Feature: Full Models (#747)
 - ✨ Damped Oscillation Megacomplex (a.k.a. DOAS) (#764)
 - ✨ Add Dataset Groups (#851)
 - ✨ Performance improvements (in some cases up to 5x) (#740)
 
 ### 👌 Minor Improvements:
+
 - 👌 Add dimensions to megacomplex and dataset_descriptor (#702)
 - 👌 Improve ordering in k_matrix involved_compartments function (#788)
 - 👌 Improvements to application of clp_penalties (equal area) (#801)
 - ♻️ Refactor model.from_dict to parse megacomplex_type from dict and add simple_generator for testing (#807)
 - ♻️ Refactor model spec (#836)
 - ♻️ Refactor Result Saving (#841)
+- ✨ Use ruaml.yaml parser for roundtrip support (#893)
+- ♻️ Refactor Result and Scheme loading/initializing from files (#903)
+- ♻️ Several refactoring in `glotaran.Parameter` (#910)
+- 👌 Improved Reporting of Parameters (#910, #914, #918)
+- 👌 Scheme now excepts paths to model, parameter and data file without initializing them first (#912)
 
 ### 🩹 Bug fixes
+
 - 🩹 Fix/cli0.5 (#765)
 - 🩹 Fix compartment ordering randomization due to use of set (#799)
 - 🩹 Fix check_deprecations not showing deprecation warnings (#775)
@@ -28,6 +36,8 @@
 - 🩹 Fix for DOAS with reversed oscillations (negative rates) (#839)
 - 🩹 Fix parameter expression parsing (#843)
 - 🩹 Use a context manager when opening a nc dataset (#848)
+- 🚧 Disallow xarray versions breaking plotting in integration tests (#900)
+- 🩹 Fix 'dataset_groups' not shown in model markdown (#906)
 
 ### 📚 Documentation
 
@@ -57,12 +67,15 @@
 - `glotaran.parameter.ParameterGroup.to_csv(file_name=parameters.csv)` -> `glotaran.io.save_parameters(parameters, 'file_name=parameters.csv)`
 
 ### 🚧 Maintenance
+
 - 🩹 Fix Performance Regressions (between version) (#740)
 - 🧪🚇 Add integration test result validation (#754)
 - 🔧 Add more QA tools for parts of glotaran (#739)
 - 🔧 Fix interrogate usage (#781)
 - 🚇 Speedup PR benchmark (#785)
-
+- 🚇🩹 Use pinned versions of dependencies to run integration CI tests (#892)
+- 🧹 Move megacomplex integration tests from root level to megacomplexes (#894)
+- 🩹 Fix artifact download in pr_benchmark_reaction workflow (#907)
 
 ## 0.4.0 (2021-06-25)
 

glotaran/__init__.py

@@ -8,7 +8,7 @@
 
 load_plugins()
 
-__version__ = "0.5.0rc1"
+__version__ = "0.5.0"
 
 
 def __getattr__(attribute_name: str):