doc updates

- supported python and gromacs versions
- main instead of master
- link to GH Discussions forum

README.rst

@@ -128,12 +128,12 @@ or as a `bioconda package`_ with ``conda`` from the *bioconda* channel ::
 Development version
 -------------------
 
-The *master* branch in the GitHub source repository generally
+The *main* branch in the GitHub source repository generally
 contains useful code but nevertheless, things can break in weird and
 wonderful ways. Please report issues through the `Issue Tracker`_ and
 mention that you used the *develop branch*.
 
-To use the *development code base*:  checkout the ``master`` branch::
+To use the *development code base*:  checkout the ``main`` branch::
 
    git clone https://github.com/Becksteinlab/GromacsWrapper.git
    cd GromacsWrapper
@@ -172,7 +172,7 @@ and feature requests.
 **Pull requests** for bug fixes and enhancements are very welcome. See http://makeapullrequest.com for a 
 general introduction on how make a pull request and contribute to open source projects.
 
-.. _Issue Tracker: http://github.com/Becksteinlab/GromacsWrapper/issues
+.. _Issue Tracker: https://github.com/Becksteinlab/GromacsWrapper/issues
 
 
 Building Documentation
@@ -207,5 +207,5 @@ or in the Acknowledgements section.
 Thank you.
 
 .. _AUTHORS:
-   https://raw.githubusercontent.com/Becksteinlab/GromacsWrapper/master/AUTHORS
+   https://raw.githubusercontent.com/Becksteinlab/GromacsWrapper/main/AUTHORS
 

doc/sphinx/source/index.txt

@@ -18,14 +18,14 @@ also allows for modularization and code re-use. In addition, commands,
 warnings and errors are logged to a file so that there exists a
 complete history of what has been done.
 
-GROMACS_ versions 4.6.x, 2016.x, 2018.x, 2019.x, 2020.x, and 2021.x are all
-supported. GromacsWrapper detects your Gromacs tools and provides them
-as :func:`gromacs.grompp`, :func:`gromacs.mdrun`, etc, regardless of
-your Gromacs version, which allows one to write scripts that are
-broadly Gromacs-version agnostic. Source your ``GMXRC`` file or make
-the :program:`gmx` binary (for versions ≥ 5.x) or all the Gromacs
-tools available on your :envvar:`PATH` for GromacsWrapper to find the
-Gromacs installation.
+GROMACS_ versions 4.6.x, 2016.x, 2018.x, 2019.x, 2020.x, 2021.x, and
+2022.x are all supported. GromacsWrapper detects your Gromacs tools
+and provides them as :func:`gromacs.grompp`, :func:`gromacs.mdrun`,
+etc, regardless of your Gromacs version, which allows one to write
+scripts that are broadly Gromacs-version agnostic. Source your
+``GMXRC`` file or make the :program:`gmx` binary (for versions ≥ 5.x)
+or all the Gromacs tools available on your :envvar:`PATH` for
+GromacsWrapper to find the Gromacs installation.
 
 .. warning::
 
@@ -37,8 +37,12 @@ Gromacs installation.
   simulations with sensible parameters.** Provide appropriate template
   files instead of the bundled defaults and check the logger output!
 
-Any `feedback, bug reports, suggestions`_ and contributions are very
-welcome.
+Please report bugs in the `issue tracker`_ and go to the
+`discussions`_ forum for questions.
+
+Contributions are very welcome --- start by raising an issue in the
+`issue tracker`_ to describe what feature you're adding or what bug
+you're fixing.
 
 .. SeeAlso:: Other approaches to interfacing Python_ and GROMACS_
              are listed under :doc:`alternatives`.
@@ -63,9 +67,10 @@ You also need to have a version of GROMACS_ installed.
 .. _Documentation: https://gromacswrapper.readthedocs.io/
 .. _GromacsWrapper git repository:
    https://github.com/Becksteinlab/GromacsWrapper
-.. _feedback, bug reports, suggestions:
+.. _issue tracker:
    https://github.com/Becksteinlab/GromacsWrapper/issues
-
+.. _discussions:
+   https://github.com/Becksteinlab/GromacsWrapper/discussions
 
 License
 =======
@@ -106,10 +111,10 @@ Thank you.
 Contact
 =======
 
-Please use the `Issue Tracker`_ to report bugs, installation problems,
-and feature requests (mention ``@orbeckst`` in the issue report).
+Please use the `issue tracker`_ to report bugs, installation problems,
+and feature requests (mention ``@orbeckst`` in the issue report) and
+use the `discussions`_ forum for general questions.
 
-.. _Issue Tracker: https://github.com/Becksteinlab/GromacsWrapper/issues
 
 
 .. Contents

doc/sphinx/source/installation.txt

@@ -10,9 +10,11 @@
 This document should help you to install the **GromacsWrapper**
 package. Please raise and issue in the `Issue Tracker`_ if problems
 occur or if you have suggestions on how to improve the package or
-these instructions.
+these instructions. Ask for help in the `discussions`_ forum.
 
 .. _Issue Tracker: https://github.com/Becksteinlab/GromacsWrapper/issues
+.. _discussions:
+   https://github.com/Becksteinlab/GromacsWrapper/discussions
 .. _setuptools: https://pypi.org/project/setuptools/
 
 
@@ -84,7 +86,7 @@ contains a full source code distribution.
 
 In order to follow code development you can also browse the code
 **git** repository at https://github.com/Becksteinlab/GromacsWrapper
-and checkout the *master* branch::
+and checkout the *main* branch::
 
    git clone https://github.com/Becksteinlab/GromacsWrapper.git
    cd GromacsWrapper
@@ -94,10 +96,8 @@ Requirements
 ============
 
 Python_ 2.7.x or Python >= 3.6 and GROMACS_ (4.6.x, 2016, 2018, 2019,
-2020, 2021) must be installed. ipython_ is very much
-recommended. These packages might already be available through your
-local package manager such as ``aptitude/apt``, ``yum``, ``yast``,
-``fink`` or ``macports``.
+2020, 2021, 2022) must be installed. ipython_ is very much
+recommended.
 
 .. _Python: http://www.python.org
 .. _ipython: http://ipython.scipy.org
@@ -106,7 +106,7 @@ local package manager such as ``aptitude/apt``, ``yum``, ``yast``,
 System requirements
 -------------------
 
-Tested with Python 2.7.x and Python 3.6--3.9 on Linux and Mac
+Tested with Python 2.7.x and Python 3.6--3.11 on Linux and Mac
 OS X. Earlier Python versions are not supported.