Installation
============

Download
--------

The source code for MAISE can be obtained from the commandline by running:

.. code-block:: console

   $ git clone https://github.com/maise-guide/maise.git

or 

.. code-block:: console

   $ git clone git://github.com/maise-guide/maise.git

or

.. code-block:: console

   $ wget -O master.zip https://github.com/maise-guide/maise/archive/master.zip
   $ unzip master.zip

Compilation
------------

+ **Standard compilation options**

  * For full compilation, use 

  .. code-block:: console

     $ make --jobs 

  * For removal of the compiled object files, use

  .. code-block:: console
 
     $ make clean 


  * For removal of the compiled object files and libraries, use

  .. code-block:: console

     $ make clean-all



+ **During MAISE compilation** with :manpage:`$ make --jobs`, the script
  checks if two required external libraries, `GSL library
  <https://www.gnu.org/software/gsl/>`_ and `SPGLIB v1.11.2.1, Feb
  2019 <https://atztogo.github.io/spglib>`_, are present. If not, they
  will be automatically downloaded to ``./ext-dep`` and installed in
  ``./lib`` on most systems.

+ **If the GSL or SPGLIB installation is not completed automatically**
  please compile them manually and copy

  * ``libgsl.a``, ``libgslcblas.a`` and ``libsymspg.a`` into the ``./lib`` subdirectory 

  * the ``spglib.h`` header into ``./lib/include`` the subdirectory

  *  all GSL headers into the ``./lib/include/gsl`` subdirectory.

+ **Note that the standard MAISE compiilation produces** ``lib/libmaise.a``.
  The `API <api.html>`__ section shows how to call MAISE library functions from external codes.

Check
-----

A ``check`` script is available in the ``./test/`` directory which
can be run after compiling the maise executable to ensure the proper
functionality of the code. 

.. code-block::

   $ check

This script automatically checks for the performance of the code in
parsing the data, training the neural network, and evaluating a
crystal structure. If the compilation is fine the ``check`` script will
output so; otherwise error logs will be provided with further
information about the issue.

The code has been extensively tested on Linux platforms. We will
appreciate users' feedback on the installation and performance of the
package on different platforms.