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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.
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 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.