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dft_tools/doc/installation/python.rst

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.. _python_install:
Python and the scientific python tools
====================================================
On some machines, not all the necessary scientific python tools are present
(e.g. old distribution, computation centers, etc....), or not in the right version.
There is a way to efficiently solve this issue (other than recompiling your own python, and
all the libs, which is painful) and specially **avoiding any upgrade on your system** (which
is crucial on cluster machines e.g.).
.. _virtualenv:
.. highlight:: bash
Using virtualenv to install/upgrade some python packages locally
----------------------------------------------------------------------------
In the frequent cases where only one or two packages are missing, there is a simple solution
called virtualenv.
Principle
^^^^^^^^^^^^
virtualenv is a python package that allow you to install in your home a simple copy (or mirror)
or python, and install and upgrade some packages for you, without touching the systems.
.. warning:: This works as long as the other dependencies of the packages on e.g. C++ libraries are satisfied.
Usage
^^^^^^^^
* First install virtualenv, or ask the system manager to do it.
On ubuntu ::
sudo apt-get install python-virtualenv
* To create a new python in your home, do e.g. ::
virtualenv ~/.my_python --system-site-packages
This create in ~/.my_python a clone of the python of the system, with its packages.
You can then use it with ::
~/.my_python/bin/python
* To make this your default python, just add in your ~/.bash_aliases (or bashrc) ::
source $HOME/.my_python/bin/activate
Then (reopen your terminal ...) ::
which python
should return typically::
/home/ME/.my_python/bin/python
* You can install any python package for this local python installation, e.g. ::
easy_install --upgrade ipython
and you have the latest ipython notebook....