updating doc

doc/install.rst

@@ -4,19 +4,18 @@
 Installation
 ============
 
-
 Prerequisite
--------------------
+------------
 
-#. The :ref:`TRIQS <triqslibs:welcome>` toolkit (see :ref:`TRIQS installation instruction <triqslibs:installation>`).
+#. The :ref:`TRIQS <triqslibs:welcome>` toolbox (see :ref:`TRIQS installation instruction <triqslibs:installation>`).
    In the following, we will suppose that it is installed in the ``path_to_triqs`` directory.
 
-#. Likely, you will also need at least one impurity solver, e.g. the The :ref:`CTHYB_matrix solver <triqscthybmatrix:welcome>`.
+#. Likely, you will also need at least one impurity solver, e.g. the :ref:`CTHYB_matrix solver <triqscthyb:welcome>`.
 
 Installation steps 
 ------------------
 
-#. Download the sources of the solver from github:: 
+#. Download the sources from github:: 
  
      $ git clone git@github.com:TRIQS/dft_tools.git src
  
@@ -33,14 +32,48 @@ Installation steps
      $ make 
      $ make test 
      $ make install 
+
+#. You need to take this last step manually since the Wien2k installation is not standard on all machines.
+   After the above installation several files will be installed into::
+  
+     path_to_TRIQS_install_directory/share/triqs/Wien2k_SRC_files/SRC_templates
+ 
+   These files are:
+
+   * :file:`case.cf_f_mm2` and :file:`case.cf_p_cubic` containing matrices for
+     the complex->cubic transformation of the local angular basis
+
+   * :file:`case.indmftpr` is a template for the input file needed by the
+     :program:`dmftproj` program. This program constructs a set of localized
+     orbitals representing correlated states.
+
+   These files then have to be copied manually to
+   :file:`path_to_Wien2k/SRC_templates`, where :file:`path_to_Wien2k` is the path
+   to the Wien2K main directory. 
+
+   When building the Wien2k extension module, the :program:`dmftproj` is
+   compiled and installed it into :file:`path_to_triqs/bin`. 
+
+   In addition, :file:`path_to_Wien2k/SRC_templates` also contains
+   :program:`run_triqs` and :program:`runsp_triqs` scripts for running Wien2k+DMFT
+   fully self-consistent calculations. These files should be copied to
+   :file:`path_to_Wien2k`. 
+
+   You will also need to insert manually a correct call of :file:`pytriqs` into
+   these scripts using an appropriate for your system MPI wrapper (mpirun,
+   mpprun...), if needed. Search for *pytriqs* within the scripts to locate the
+   appropriate place for inserting the :file:`pytriqs` call.
+
+   Finally, you will have to change the calls to :program:`python_with_DMFT` to
+   :program:`pytriqs` in the Wien2k :file:`path_to_Wien2k/run*` files.
  
 Version compatibility 
 --------------------- 
  
-Be careful that the version of the TRIQS library and of the solver must be 
+Be careful that the version of the TRIQS library and of the dft tools must be 
 compatible (more information on the `TRIQS website 
 <http://ipht.cea.fr/triqs/versions.html>`_). If you want to use a version of 
-the solver that is not the latest one, go into the directory with the sources 
+the dft tools that is not the latest one, go into the directory with the sources 
 and look at all available versions:: 
  
      $ cd src && git tag 
@@ -49,4 +82,4 @@ Checkout the version of the code that you want::
  
      $ git co 1.0.0 
  
-Then follow the steps 2 to 4 described above to compile the code. 
+Then follow the steps 2 to 5 described above to compile the code.