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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.
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:
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.