From 1e78af6d47c1bafc6ad7f865fef38ad526e36bfd Mon Sep 17 00:00:00 2001
From: Sean Kavanagh <s.kavanagh19@imperial.ac.uk>
Date: Thu, 17 Nov 2022 18:54:24 +0000
Subject: [PATCH] Update `CHANGELOG.rst`, `setup.py` and `conf.py` before PR to
 main

---
 CHANGELOG.rst | 17 +++++++++++++++++
 docs/conf.py  |  2 +-
 setup.py      |  2 +-
 3 files changed, 19 insertions(+), 2 deletions(-)

diff --git a/CHANGELOG.rst b/CHANGELOG.rst
index f4b38798..b73f7e62 100644
--- a/CHANGELOG.rst
+++ b/CHANGELOG.rst
@@ -1,6 +1,23 @@
 Change Log
 ==========
 
+v22.11.17
+--------
+
+Main changes:
+
+- Refactor :code:`Distortions()` to a list or simple-format dict of :code:`Defect` objects as input.
+  Same for :code:`Distortions.from_structures()`
+- Update defect naming to :code:`{Defect.name}_s{Defect.defect_site_index}` for vacancies/substitutions and
+  :code:`{Defect.name}_m{Defect.multiplicity}` for interstitials. Append "a", "b", "c" etc in cases of inequivalent
+  defects
+- Make :code:`ShakeNBreak` compatible with most recent :code:`pymatgen` and :code:`pymatgen-analysis-defects` packages.
+- Update legend format in plots and site index/multiplicity labelling, make default format png.
+- Update default charge state setting to match :code:`pymatgen-analysis-defects` oxi state + padding approach.
+- A lot of additional warning and error catches.
+- Miscellaneous warnings and docs updates.
+
+
 v22.11.7
 --------
 
diff --git a/docs/conf.py b/docs/conf.py
index e7ae2c08..e72f2fbe 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -25,7 +25,7 @@
 author = 'Irea Mosquera-Lois, Seán R. Kavanagh'
 
 # The full version, including alpha/beta/rc tags
-release = '22.11.7'
+release = '22.11.17'
 
 
 # -- General configuration ---------------------------------------------------
diff --git a/setup.py b/setup.py
index 24e91db0..71501c1d 100644
--- a/setup.py
+++ b/setup.py
@@ -131,7 +131,7 @@ def package_files(directory):
 
 setup(
     name="shakenbreak",
-    version="22.11.07",
+    version="22.11.17",
     description="Package to generate and analyse distorted defect structures, in order to "
     "identify ground-state and metastable defect configurations.",
     long_description="Python package to automatise the process of defect structure searching. "