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INSTALL.rst

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Mychem Installation

Requirements

The following are required to build Mychem:

  • cmake v2.4.5 or higher
  • libmysqlclient-dev v5.0 or higher (or the MariaDB equivalent)
  • openbabel-dev v2.3.0 or higher

Quick Install

This section describes a simple way to compile and install Mychem on GNU/Linux. For a more complete documentation about the installation procedure (in particular on Windows and Mac OS X), see the online documentation.

Get the last stable release

The last stable release can be downloaded from the Mychem GitHub release page.

Uncompress the code

Once the last stable version has been downloaded, you can extract the code with:

$ tar xfzv mychem-1.0.1.tgz

Compilation and Installation

CMake can build the libraries and executables into any directory. If the directory contains the source, the build is called in source. In other cases, it is called out of source. CMake strongly recommends and promotes building out of source, and only this method is detailed in this short tutorial:

$ cd mychem-1.0.1
$ mkdir build
$ cd build
$ cmake ..
$ make
$ sudo make install

Once the libraries are installed, you have to create the SQL functions. It is done with the following command:

$ mysql -u user -p < src/mysqldb.sql