Merge pull request #183 from jensengroup/nathan/168

Version 3.5.1 release candidate

.readthedocs.yaml

@@ -0,0 +1,35 @@
+# Read the Docs configuration file for Sphinx projects
+# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details
+
+# Required
+version: 2
+
+# Set the OS, Python version and other tools you might need
+build:
+  os: ubuntu-22.04
+  tools:
+    python: "3.12"
+    # You can also specify other tool versions:
+    # nodejs: "20"
+    # rust: "1.70"
+    # golang: "1.20"
+
+# Build documentation in the "docs/" directory with Sphinx
+sphinx:
+  configuration: docs/source/conf.py
+  # You can configure Sphinx to use a different builder, for instance use the dirhtml builder for simpler URLs
+  # builder: "dirhtml"
+  # Fail on all warnings to avoid broken references
+  # fail_on_warning: true
+
+# Optionally build your docs in additional formats such as PDF and ePub
+# formats:
+#   - pdf
+#   - epub
+
+# Optional but recommended, declare the Python requirements required
+# to build your documentation
+# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html
+python:
+  install:
+    - requirements: docs/requirements.txt

docs/requirements.txt

@@ -0,0 +1,4 @@
+sphinx==5.3.0
+sphinx_rtd_theme==1.1.1
+sphinx_sitemap==2.5.1
+readthedocs-sphinx-search==0.1.1

docs/source/changelog.rst

@@ -2,6 +2,23 @@
 Changelog
 *********
 
+3.5.1 (2023-12-31)
+==================
+
+Changes
+-------
+
+* Add more static typing and associated tests (`#177 <https://github.com/jensengroup/propka/pull/177>`_ and `#172 <https://github.com/jensengroup/propka/pull/172>`_)
+
+* Refactor deprecated ``pkg_resources`` usage (`#176 <https://github.com/jensengroup/propka/pull/176>`_)
+
+* Increase number of valence electrons for ligand atoms (`#169 <https://github.com/jensengroup/propka/pull/169>`_ and `#170 <https://github.com/jensengroup/propka/pull/170>`_)
+
+Fixes
+-----
+
+* Fix topping up from all conformations, not just first (`#167 <https://github.com/jensengroup/propka/pull/167>`_)
+
 3.5.0 (2023-02-13)
 ==================