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Atsushi Togo 2016-12-14 16:32:51 +09:00
parent 7e622f6520
commit 349921c7dc
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Change Log
==========
Dec-14-2016: version 1.11.7
------------------------------
- This is a maintenance release. This version must be used with
phonopy-1.11.6 or later.
Nov-27-2016: version 1.11.5
------------------------------

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@ -49,9 +49,9 @@ copyright = u'2015, Atsushi Togo'
# built documents.
#
# The short X.Y version.
version = '1.11.5'
version = '1.11.7'
# The full version, including alpha/beta/rc tags.
release = '1.11.5'
release = '1.11.7'
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.

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Installation
=============
.. contents::
:depth: 2
:local:
System requirement
-------------------
**From version 1.11.3, phono3py depends on phonopy (>1.11.2).** So the
**Phono3py-1.11.7 depends on phonopy-1.11.6 or later.** So the
installation of phonopy before the installation of phono3py is
required. See how to install phonopy at
https://atztogo.github.io/phonopy/install.html .
@ -22,18 +26,18 @@ OS. In the case of ubuntu linux, it would be like::
In the versions of Ubuntu-12.10 or later, LAPACKE
(http://www.netlib.org/lapack/lapacke.html) can be installed from the
package manager (``liblapacke`` and ``liblapacke-dev``). In the recent
MacPorts, the ``lapack`` or ``OpenBLAS`` package probably contains
LAPACKE. But in the older versions of Ubuntu or in the other
environments, you may have to compile LAPACKE by yourself. The
compilation procedure is found at the LAPACKE web site. After creating
the LAPACKE library, ``liblapacke.a`` (or the dynamic link library),
``setup3.py`` must be properly modified to link it. As an example, the
procedure of compiling LAPACKE is shown below.
MacPorts, the ``OpenBLAS`` package contains not only BLAS but also
LAPACK and LAPACKE in ``libopenblas``. But in the older versions of
Ubuntu or in the other environments, you may have to compile LAPACKE
by yourself. The compilation procedure is found at the LAPACKE web
site. After creating the LAPACKE library, ``liblapacke.a`` (or the
dynamic link library), ``setup.py`` must be properly modified to link
it. As an example, the procedure of compiling LAPACKE is shown below.
::
% tar xvfz lapack-3.5.0.tgz
% cd lapack-3.5.0
% tar xvfz lapack-3.6.0.tgz
% cd lapack-3.6.0
% cp make.inc.example make.inc
% make lapackelib
@ -45,17 +49,17 @@ Multithreading support
Phono3py supports OpenMP multithreading and most users will need it,
otherwise the calculation may take long time. The library options used
for GCC, ``-lgomp`` and ``-fopenmp``, are written in ``setup3.py``,
for GCC, ``-lgomp`` and ``-fopenmp``, are written in ``setup.py``,
but for the other compilers, you may have to change them. If you need
to compile without the OpenMP support, you can remove these options in
``setup3.py``.
``setup.py``.
Install using pip/conda
------------------------
Occasionally PyPI and conda packages are prepared at phonopy and
phono3py releases. Using these packages, the phonopy and phono3py
installations are expected to be easily done. For more detail, see
PyPI and conda packages are prepared at phonopy and phono3py
releases. Using these packages, the phonopy and phono3py installations
are expected to be easily done. For more detail, see
https://atztogo.github.io/phonopy/install.html .
Building using setup.py
@ -67,30 +71,19 @@ setup.py. In this case, manual modification of ``setup.py`` may be
needed.
Download the latest source packages at
https://pypi.python.org/pypi/phono3py
and extract it somewhere. The version number here is not related to
the version number of harmonic (usual) phonopy. The harmonic phonopy
included in this package is a development version and can be different
from that distributed at sourceforge.net.
In the directory, open ``setup3.py`` and set the location of
lapacke. If you installed lapacke from the package manager, you can
remove the line related to lapacke. If you compiled it by yourself,
set the location of it. Before running ``setup3.py``, if you install
phonopy (not phono3py), you need to uninstall phonopy since
``setup3.py`` installs phonopy, too. Then
https://pypi.python.org/pypi/phono3py and extract it somewhere. In the
directory, open ``setup.py`` and specify the library and its path of a
lapacke library. Then
::
% python setup3.py install --user
% python setup.py install --user
Or you can install phono3py on the current directory by
::
% python setup3.py install --home=.
% python setup.py install --home=.
In this way to setup, ``PYTHONPATH`` has to be set so that python can
find harmonic and anharmonic phonopy libraries. If you have been
@ -98,15 +91,15 @@ already a user of phonopy, ``PYTHONPATH`` for the original phonopy
version has to be removed. The ``PYTHONPATH`` setting depends on
shells that you use. For example in bash or zsh::
export PYTHONPATH=~/phonopy-1.11.3/lib/python
export PYTHONPATH=~/phono3py-1.11.3/lib/python
or::
export PYTHONPATH=$PYTHONPATH:~/phonopy-1.11.3/lib/python
export PYTHONPATH=$PYTHONPATH:~/phono3py-1.11.3/lib/python
Phono3py command is installed under ``bin`` directory. The location of
``bin`` directory is depending on ``--user`` or ``--home`` scheme when
running ``setup3.py``. In the former case, it depends on your
running ``setup.py``. In the former case, it depends on your
operation system, e.g., ``~/.local/bin`` for Ubuntu linux and
``~/Library/Python/2.7`` for Mac (& python2.7). In the latter case,
``bin`` directory is found on the current directory if it was

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@ -32,4 +32,4 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
__version__ = "1.11.5"
__version__ = "1.11.7"