Merge pull request #175 from openmopac/godotalgorithm-patch-1

Update README.md to prepare for v22.1.0

README.md

@@ -6,12 +6,19 @@
 ![build](https://github.com/openmopac/mopac/actions/workflows/CI.yaml/badge.svg)
 [![codecov](https://codecov.io/gh/openmopac/mopac/branch/main/graph/badge.svg?token=qM2KeRvw06)](https://codecov.io/gh/openmopac/mopac)
 
-This is the official repository of the modern open-source version of MOPAC, which is now released under the LGPL license.
-This is a direct continuation of the commercial development and distribution of MOPAC, ending at MOPAC 2016.
+This is the official repository of the modern open-source version of MOPAC, which is now released under an LGPL license.
+This is a direct continuation of the commercial development and distribution of MOPAC, which ended at MOPAC 2016.
 Commercial versions of MOPAC are no longer supported, and all MOPAC users are encouraged to switch to the most recent open-source version.
 
 ## Installation
 
+Open-source MOPAC is available through multiple distributon channels, and it can also be compiled from source using CMake.
+In addition to continuing the distribution of self-contained installers on the
+[old commercial website](http://openmopac.net/Download_MOPAC_Executable_Step2.html) and here on GitHub,
+MOPAC can also be installed using multiple package managers and accessed through containers.
+
+### Self-contained installers
+
 Self-contained graphical installers for Linux, Mac, and Windows are available on GitHub for each release,
 which are constructed using the [Qt Installer Framework](https://doc.qt.io/qtinstallerframework/).
 
@@ -23,12 +30,12 @@ On Linux, the basic command-line installation syntax is:
 For more information on command-line installation, see the [Qt Installer Framework Documentation](https://doc.qt.io/qtinstallerframework/ifw-cli.html).
 
 Linux installations without a desktop environment may not have the shared libraries required for the graphical installers,
-and there have also been isolated reports of problems with the Qt installer on other platforms. A minimal archive installer
+and there have also been isolated reports of problems with the Qt installer on other platforms. A minimal, compressed-archive installer
 is available for each platform as an alternative for users that have problems with the Qt installer.
 
-The minimum glibc version required for the precompiled version of MOPAC on Linux is 2.17.
+The minimum glibc version required for the precompiled version of MOPAC on Linux is currently 2.17.
 
-### Library path issues
+#### Library path issues
 
 The pre-built MOPAC executables use the RPATH system on Mac and Linux to connect with its shared libraries,
 including the `libiomp5` Intel OpenMP redistributable library. The `libiomp5` library is not properly versioned, and the recent version used by
@@ -42,10 +49,17 @@ should preserve the functionality of other software that depends on the library.
 ### Package managers
 
 The officially supported package manager for MOPAC is the [conda-forge channel of Conda](https://anaconda.org/conda-forge/mopac).
-MOPAC also has been packaged for example by
-[Fedora](https://packages.fedoraproject.org/pkgs/mopac/mopac/), or
-[Debian](https://tracker.debian.org/pkg/mopac) and equally is available in the
-[Google Play store](https://play.google.com/store/apps/details?id=cz.m).
+MOPAC is also packaged by major Linux distributions including
+[Fedora](https://packages.fedoraproject.org/pkgs/mopac/mopac/) and
+[Debian](https://tracker.debian.org/pkg/mopac).
+It is also available in the [Google Play store](https://play.google.com/store/apps/details?id=cz.m).
+
+[![Packaging status](https://repology.org/badge/vertical-allrepos/mopac.svg?columns=2)](https://repology.org/project/mopac/versions)
+
+### Docker/Apptainer Containers
+
+The official [Docker](https://www.docker.com) and [Apptainer](https://apptainer.org) ([Singularity](https://sylabs.io)) containers for MOPAC 22.0.6 ([Conda version](https://anaconda.org/conda-forge/mopac)) are developed and
+maintained by [MolSSI Container Hub](https://molssi.github.io/molssi-hub/index.html) and are distributed by the MolSSI Docker Hub [repository](https://hub.docker.com/r/molssi/mopac220-mamba141).
 
 ### CMake
 
@@ -66,15 +80,14 @@ if CMake successfully detects a Fortran compiler and BLAS/LAPACK libraries. Othe
 may require additional command-line options to specify a Fortran compiler (`-DCMAKE_Fortran_COMPILER=...`)
 or the path (`-DMOPAC_LINK_PATH=...`) and linker options (`-DMOPAC_LINK=...`) to link BLAS and LAPACK libraries to the MOPAC executable.
 
-The CTest-based testing requires Python 3.x and Numpy.
-
-## Docker/Apptainer Containers
-
-The official [Docker](https://www.docker.com) and [Apptainer](https://apptainer.org) ([Singularity](https://sylabs.io)) containers for MOPAC 22.0.6 ([Conda version](https://anaconda.org/conda-forge/mopac)) are developed and
-maintained by [MolSSI Container Hub](https://molssi.github.io/molssi-hub/index.html) and are distributed by the MolSSI Docker Hub [repository](https://hub.docker.com/r/molssi/mopac220-mamba141).
+The CTest-based testing requires an installation of Python 3.x and Numpy that can be detected by CMake.
 
 ## Documentation
 
 The main source for MOPAC documentation is presently its old [online user manual](http://openmopac.net/manual/index.html).
 
 There is a [new documentation website](https://openmopac.github.io) under development, but it is not yet ready for general use.
+
+## Citation
+
+To cite the use of open-source MOPAC in scientific publications, see the `CITATION.cff` file in this repository.