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Change Log
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==========
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Dec-14-2016: version 1.11.7
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------------------------------
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- This is a maintenance release. This version must be used with
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phonopy-1.11.6 or later.
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Nov-27-2016: version 1.11.5
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------------------------------
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@ -49,9 +49,9 @@ copyright = u'2015, Atsushi Togo'
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# built documents.
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#
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# The short X.Y version.
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version = '1.11.5'
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version = '1.11.7'
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# The full version, including alpha/beta/rc tags.
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release = '1.11.5'
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release = '1.11.7'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -3,10 +3,14 @@
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Installation
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=============
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.. contents::
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:depth: 2
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:local:
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System requirement
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-------------------
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**From version 1.11.3, phono3py depends on phonopy (>1.11.2).** So the
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**Phono3py-1.11.7 depends on phonopy-1.11.6 or later.** So the
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installation of phonopy before the installation of phono3py is
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required. See how to install phonopy at
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https://atztogo.github.io/phonopy/install.html .
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@ -22,18 +26,18 @@ OS. In the case of ubuntu linux, it would be like::
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In the versions of Ubuntu-12.10 or later, LAPACKE
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(http://www.netlib.org/lapack/lapacke.html) can be installed from the
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package manager (``liblapacke`` and ``liblapacke-dev``). In the recent
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MacPorts, the ``lapack`` or ``OpenBLAS`` package probably contains
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LAPACKE. But in the older versions of Ubuntu or in the other
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environments, you may have to compile LAPACKE by yourself. The
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compilation procedure is found at the LAPACKE web site. After creating
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the LAPACKE library, ``liblapacke.a`` (or the dynamic link library),
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``setup3.py`` must be properly modified to link it. As an example, the
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procedure of compiling LAPACKE is shown below.
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MacPorts, the ``OpenBLAS`` package contains not only BLAS but also
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LAPACK and LAPACKE in ``libopenblas``. But in the older versions of
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Ubuntu or in the other environments, you may have to compile LAPACKE
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by yourself. The compilation procedure is found at the LAPACKE web
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site. After creating the LAPACKE library, ``liblapacke.a`` (or the
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dynamic link library), ``setup.py`` must be properly modified to link
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it. As an example, the procedure of compiling LAPACKE is shown below.
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::
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% tar xvfz lapack-3.5.0.tgz
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% cd lapack-3.5.0
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% tar xvfz lapack-3.6.0.tgz
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% cd lapack-3.6.0
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% cp make.inc.example make.inc
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% make lapackelib
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@ -45,17 +49,17 @@ Multithreading support
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Phono3py supports OpenMP multithreading and most users will need it,
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otherwise the calculation may take long time. The library options used
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for GCC, ``-lgomp`` and ``-fopenmp``, are written in ``setup3.py``,
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for GCC, ``-lgomp`` and ``-fopenmp``, are written in ``setup.py``,
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but for the other compilers, you may have to change them. If you need
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to compile without the OpenMP support, you can remove these options in
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``setup3.py``.
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``setup.py``.
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Install using pip/conda
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------------------------
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Occasionally PyPI and conda packages are prepared at phonopy and
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phono3py releases. Using these packages, the phonopy and phono3py
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installations are expected to be easily done. For more detail, see
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PyPI and conda packages are prepared at phonopy and phono3py
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releases. Using these packages, the phonopy and phono3py installations
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are expected to be easily done. For more detail, see
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https://atztogo.github.io/phonopy/install.html .
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Building using setup.py
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needed.
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Download the latest source packages at
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https://pypi.python.org/pypi/phono3py
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and extract it somewhere. The version number here is not related to
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the version number of harmonic (usual) phonopy. The harmonic phonopy
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included in this package is a development version and can be different
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from that distributed at sourceforge.net.
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In the directory, open ``setup3.py`` and set the location of
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lapacke. If you installed lapacke from the package manager, you can
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remove the line related to lapacke. If you compiled it by yourself,
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set the location of it. Before running ``setup3.py``, if you install
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phonopy (not phono3py), you need to uninstall phonopy since
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``setup3.py`` installs phonopy, too. Then
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https://pypi.python.org/pypi/phono3py and extract it somewhere. In the
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directory, open ``setup.py`` and specify the library and its path of a
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lapacke library. Then
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::
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% python setup3.py install --user
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% python setup.py install --user
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Or you can install phono3py on the current directory by
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::
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% python setup3.py install --home=.
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% python setup.py install --home=.
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In this way to setup, ``PYTHONPATH`` has to be set so that python can
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find harmonic and anharmonic phonopy libraries. If you have been
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@ -98,15 +91,15 @@ already a user of phonopy, ``PYTHONPATH`` for the original phonopy
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version has to be removed. The ``PYTHONPATH`` setting depends on
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shells that you use. For example in bash or zsh::
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export PYTHONPATH=~/phonopy-1.11.3/lib/python
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export PYTHONPATH=~/phono3py-1.11.3/lib/python
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or::
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export PYTHONPATH=$PYTHONPATH:~/phonopy-1.11.3/lib/python
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export PYTHONPATH=$PYTHONPATH:~/phono3py-1.11.3/lib/python
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Phono3py command is installed under ``bin`` directory. The location of
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``bin`` directory is depending on ``--user`` or ``--home`` scheme when
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running ``setup3.py``. In the former case, it depends on your
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running ``setup.py``. In the former case, it depends on your
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operation system, e.g., ``~/.local/bin`` for Ubuntu linux and
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``~/Library/Python/2.7`` for Mac (& python2.7). In the latter case,
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``bin`` directory is found on the current directory if it was
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@ -32,4 +32,4 @@
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# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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# POSSIBILITY OF SUCH DAMAGE.
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__version__ = "1.11.5"
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__version__ = "1.11.7"
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