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doc/install.rst
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@ -4,13 +4,11 @@
Installation
============
LINKS ARE BROKEN!
Prerequisites
-------------
#. 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.
#. The :ref:`TRIQS <triqslibs:welcome>` toolbox. 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 :ref:`CTHYB solver <triqscthyb:welcome>`.
@ -35,47 +33,54 @@ Installation steps
$ make test
$ make install
TO BE FIXED
===========
Installation steps for use with WIEN2K
---------------------------------------
Installation steps for the use with WIEN2K version 14.2 and older
--------------------------------------------------------------
#. 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::
.. warning::
The following steps are only necessary if you use a Wien2k version
14.2 and older. For newer versions (15.1 onwards), these things have
been included already in the Wien2k package. There are no
:program:`run_triqs` and :program:`runsp_triqs` scripts any more,
since their functionality has been included in the Wien2k
run scripts.
path_to_TRIQS_install_directory/share/triqs/Wien2k_SRC_files/SRC_templates
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::
These files are:
path_to_TRIQS_install_directory/share/triqs/Wien2k_SRC_files/SRC_templates
* :file:`case.cf_f_mm2` and :file:`case.cf_p_cubic` containing matrices for
the complex->cubic transformation of the local angular basis
These files are:
* :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.
* :file:`case.cf_f_mm2` and :file:`case.cf_p_cubic` containing matrices for
the complex->cubic transformation of the local angular basis
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.
* :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.
When building the Wien2k extension module, the :program:`dmftproj` is
compiled and installed it into :file:`path_to_triqs/bin`.
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.
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`, and set as executables by running::
When building the Wien2k extension module, the :program:`dmftproj` is
compiled and installed it into :file:`path_to_triqs/bin`.
$ chmod +x run*_triqs
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`, and set as executables by running::
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, etc.), if needed. Search for *pytriqs* within the scripts to locate the
appropriate place for inserting the :file:`pytriqs` call.
$ chmod +x run*_triqs
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, etc.), 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.
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
---------------------
@ -87,8 +92,8 @@ into the directory with the sources and look at all available versions::
$ cd src && git tag
Checkout the version of the code that you want::
Checkout the version of the code that you want, for instance::
$ git co 1.0.0
$ git co 1.2
Then follow the steps 2 to 5 described above to compile the code.