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@ -4,13 +4,11 @@
Installation Installation
============ ============
LINKS ARE BROKEN!
Prerequisites Prerequisites
------------- -------------
#. The :ref:`TRIQS <triqslibs:welcome>` toolbox (see :ref:`TRIQS installation instruction <triqslibs:installation>`). #. The :ref:`TRIQS <triqslibs:welcome>` toolbox. In the following, we will suppose that it is installed in the ``path_to_triqs`` directory.
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>`. #. 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 test
$ make install $ 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. .. warning::
After the above installation several files will be installed into:: 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.
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 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 These files are:
the complex->cubic transformation of the local angular basis
* :file:`case.indmftpr` is a template for the input file needed by the * :file:`case.cf_f_mm2` and :file:`case.cf_p_cubic` containing matrices for
:program:`dmftproj` program. This program constructs a set of localized the complex->cubic transformation of the local angular basis
orbitals representing correlated states.
These files then have to be copied manually to * :file:`case.indmftpr` is a template for the input file needed by the
:file:`path_to_Wien2k/SRC_templates`, where :file:`path_to_Wien2k` is the path :program:`dmftproj` program. This program constructs a set of localized
to the Wien2K main directory. orbitals representing correlated states.
When building the Wien2k extension module, the :program:`dmftproj` is These files then have to be copied manually to
compiled and installed it into :file:`path_to_triqs/bin`. :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 When building the Wien2k extension module, the :program:`dmftproj` is
:program:`run_triqs` and :program:`runsp_triqs` scripts for running Wien2k+DMFT compiled and installed it into :file:`path_to_triqs/bin`.
fully self-consistent calculations. These files should be copied to
:file:`path_to_Wien2k`, and set as executables by running::
$ 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 $ chmod +x run*_triqs
these scripts using an appropriate for your system MPI wrapper (mpirun,
mpprun, etc.), if needed. Search for *pytriqs* within the scripts to locate the You will also need to insert manually a correct call of :file:`pytriqs` into
appropriate place for inserting the :file:`pytriqs` call. 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 Version compatibility
--------------------- ---------------------
@ -87,8 +92,8 @@ into the directory with the sources and look at all available versions::
$ cd src && git tag $ 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. Then follow the steps 2 to 5 described above to compile the code.