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Anton Akhmerov
kwant
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c451f672
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c451f672
authored
12 years ago
by
Christoph Groth
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INSTALL.txt: clarifications about performance and minor fixes
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INSTALL.txt
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@@ -6,30 +6,30 @@ Prerequisites
=============
Building kwant requires
- `Python <http://python.org>`_ 2.6 or newer;
- `SciPy <http://scipy.org>`_ 0.7.2 or newer;
- `LAPACK <http://netlib.org/lapack/>`_ and `BLAS <http://netlib.org/blas/>`_;
- tinyarray, a NumPy-like Python package optimized for very small arrays;
- An environment which allows to compile Python extensions written in C and
* `Python <http://python.org>`_ 2.6 or newer,
* `SciPy <http://scipy.org>`_ 0.7.2 or newer,
* `LAPACK <http://netlib.org/lapack/>`_ and `BLAS <http://netlib.org/blas/>`_,
(For best performance we recommend the free `OpenBLAS
<http://xianyi.github.com/OpenBLAS/>`_ or the unfree `MKL
<http://software.intel.com/en-us/intel-mkl>`_.)
* tinyarray, a NumPy-like Python package optimized for very small arrays,
* An environment which allows to compile Python extensions written in C and
C++.
The following software is highly recommended though not strictly required:
- `matplotlib <http://matplotlib.sourceforge.net/>`_, for kwant's plotting
module and the tutorial;
- `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_, a sparse linear algebra library
* `matplotlib <http://matplotlib.sourceforge.net/>`_, for kwant's plotting
module and the tutorial,
* `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_, a sparse linear algebra library
that will in many cases speed up kwant several times and reduce the memory
footprint.
footprint. (kwant uses only the sequential, single core version
of MUMPS. The advantages due to MUMPS as used by kwant are thus independent
of the number of CPU cores of the machine on which kwant runs.)
Generic instructions
====================
Please note the `System-specific instructions`_ below.
kwant can be built and installed following the `usual Python conventions
<http://docs.python.org/install/index.html>`_ by running the following commands
in the root directory of the kwant distribution. ::
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@@ -53,13 +53,17 @@ System-specific instructions
Unix-like systems (Linux)
-------------------------
1. Install the required software. On Debian/Ubuntu-like systems this can be
done by running ::
kwant should run on all recent Unix-like systems. The following instructions
have been verified to work on Debian 6 (Squeeze) or newer, and on Ubuntu 12.04
or newer. For other systems step 1 will likely have to be adapted. If
``sudo`` is not available, the respective command must be run as root.
1. Install the required packages by running the command ::
sudo apt-get install python-dev python-scipy python-matplotlib \
g++ gfortran libopenblas-dev liblapack-dev libmumps-scotch-dev
2. Unpack tinyarray, enter its directory
,
build and install
.
::
2. Unpack tinyarray, enter its directory
. To
build and install
, run
::
python setup.py build
sudo python setup.py install
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@@ -99,8 +103,10 @@ open-source software packages. There exist also other ways to install the
required libraries.
Following these instructions will install kwant without `MUMPS
<http://graal.ens-lyon.fr/MUMPS/>`_. With MUMPS kwant will run several times
faster and will use less memory.
<http://graal.ens-lyon.fr/MUMPS/>`_. It is well possible to use MUMPS uder OS
X - most likely you will have to install it from source. The section `Build
configuration`_ explains how to tell kwant where to find your self-compiled
MUMPS.
These instructions were verified in November 2011 under Mac OS X 10.6.8.
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@@ -192,7 +198,8 @@ Example ``build.conf`` for linking kwant against a self-compiled MUMPS, `SCOTCH
<http://glaros.dtc.umn.edu/gkhome/metis/metis/overview>`_::
[mumps]
libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq gfortran
libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq
gfortran
Example ``build.conf`` for linking kwant with Intel MKL.::
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@@ -201,6 +208,10 @@ Example ``build.conf`` for linking kwant with Intel MKL.::
library_dirs = /opt/intel/mkl/lib/intel64
extra_link_args = -Wl,-rpath=/opt/intel/mkl/lib/intel64
The detailed syntax of ``build.conf`` is explained in the `documentation of
Python's configparser module
<http://docs.python.org/3/library/configparser.html#supported-ini-file-structure>`_.
Building the documentation
==========================
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