first draft of README

README.rst

@@ -24,34 +24,35 @@ To install, for example, the ``foss2022a-serial`` toolchain:
    use ``pipx`` to that this tool is available independent from the use of any
    other python environments::
 
-       pipx install git+https://gitlab.gwdg.de/mpsd-cs/mpsd-software-manager
+     $ pipx install git+https://gitlab.gwdg.de/mpsd-cs/mpsd-software-manager
 
 
 2. Navigate to the location in your file system where you would like to store
    the compiled software. (Once compiled, the location cannot be changed.) For
    example::
 
-     cd /home/user/mpsd-software
+     $ cd /home/user/mpsd-software
 
 
 3. Initiate the installation at this location using::
 
-     mpsd-software init .
+     $ mpsd-software init
 
    (This creates a hidden file ``.mpsd-software-root`` to tag the location for
    as the root of the installation. All compiled files, logs etc are written in
    or below this subdirectory.)
 
-4. From the same directory, run the command to install the ``foss2022a-serial`` toolchain:
+4. From the same directory, run the command to install the ``foss2022a-serial``
+   toolchain::
 
-     $> mpsd-software install dev-23a foss2022a-serial
+     $ mpsd-software install dev-23a foss2022a-serial
 
    This will take some time (up to several hours depending on hardware).
 
 5. To see the installation status, and the required ``module use`` command line
    to activate the created modules, try the ``status`` command::
 
-     $> mpsd-software status dev-23a
+     $ mpsd-software status dev-23a
 
      Installed toolchains (dev-23a):
 
@@ -114,7 +115,7 @@ Package sets and toolchains
 MPSD software releases
 ~~~~~~~~~~~~~~~~~~~~~~
 
-As ``explained in the MPSD HPC documentation <https://computational-science.mpsd.mpg.de/docs/mpsd-hpc.html#software>``__, we
+As `explained in the MPSD HPC documentation <https://computational-science.mpsd.mpg.de/docs/mpsd-hpc.html#software>`__, we
 label software releases available on the HPC using a naming scheme of the year
 (such as ``23``) and a letter starting from ``a``. There is an exception that
 the first available software version is ``dev-23a`` (starting with ``dev-`` to
@@ -149,7 +150,7 @@ The ``mpsd-software-manager`` python package.
 - This needs a recent Python (3.9 or later).
 - Install via pip or pipx.
 
-  Pipx commands are::
+  Pipx commands are:
   
   - to install: ``pipx install git+https://gitlab.gwdg.de/mpsd-cs/mpsd-software-manager``
   - to update: ``pipx upgrade mpsd-software-manager``
@@ -160,3 +161,13 @@ The ``mpsd-software-manager`` python package.
   - Please check https://spack.readthedocs.io/en/latest/getting_started.html#system-prerequisites
 
 
+The compilation of the ``*-mpi`` toolchains needs linux headers installed. (TODO Add more detail.)
+
+Working example
+~~~~~~~~~~~~~~~
+
+We have a continuous integration example at XXX, that shows the complete
+compilation cycle (including compilation of Octopus). (TODO)
+
+
+