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TsumiNa committed Jan 29, 2018
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2 changes: 1 addition & 1 deletion MANIFEST.in
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include *.rst LICENSE.rst CHANGES.rst requirements*.txt
include *.rst LICENSE.rst docs/source/CHANGES.rst requirements*.txt
recursive-include xenonpy *.py *.json *.yaml *.pkl.pd_ *.pkl.z
recursive-exclude tests/*.*
recursive-include licences *
6 changes: 6 additions & 0 deletions README.rst
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Expand Up @@ -39,6 +39,12 @@ Contribution guidelines
* Check codes with Pylint
* Writing tests if possible


Changes
=======

.. include: docs/source/CHANGES.rst
Contract
========

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35 changes: 7 additions & 28 deletions docs/source/installation.rst
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Expand Up @@ -9,52 +9,31 @@ XenonPy use PyTorch_ as the NN engine backend because of it's flexibility and hi
Since PyTorch has no common installation recipe beacuse it dependent on what your OS is and either use `CUDA <https://developer.nvidia.com/cuda-toolkit>`_.
So unfortunately, you have to install PyTorch manually after the installation of XenonPy.


Let we say:

* :ref:`install_xenonpy`
* :ref:`install_pytorch`

.. note::

Installation on Unix-like system is actually quite simple. For windows the installation is relative triviality.
We highly recommend you to install `Visual C++ Build Tools <http://landinghub.visualstudio.com/visual-cpp-build-tools>`_ before you install other python packages.

.. tip::
When installation, some dependence which have C/Cython files need to be compiled.
On Unix-like system is actually quite simple only need you to install compile toolchain. For windows the installation is relative triviality.
Before you install python packages. First install `Visual C++ Build Tools <http://landinghub.visualstudio.com/visual-cpp-build-tools>`_.
Also you have to checked on **windows 8.1 / 10 SDK options** when install Visual C++ Build Tools.

If you got ``fatal error C1083: Cannot open include file: 'basetsd.h': No such file or directory`` error when install via ``pip``.
Try checked windows 8.1 / 10 SDK options when install Visual C++ Build Tools.

.. _install_xenonpy:

Step1: Install XenonPy
=======================


via anaconda (recommended)
--------------------------
The easiest way to install XenonPy is using conda_. If you don't have conda_ follow the `official installation documents <https://conda.io/docs/user-guide/install/index.html>`_.

We created a channel to build a collection of our materials science software,
If you already have conda installed, XenonPy can be installed from the `yoshida-lab channel`_ using the following one line command:

.. code-block:: bash
$ conda install --channel yoshida-lab xenonpy
XenonPy is under active development, many new features are added regularly. To
upgrade pymatgen to the latest version, use the following command:

.. code-block:: bash
$ conda upgrade xenonpy
via pip
--------------------------

If you don't/can't install conda_. A common way is to use pip_.
A common way to install python packages is pip_.

Simply run the command in a bash terminal:

.. code-block:: bash
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