= Compiling the Code = After you obtained the code as lined out in the RepositoryGuidelines, you do the following: {{{ ./autogen.sh }}} This creates the necessary autoconf and automake files. After this, {{{ mkdir build cd build ../configure --prefix=`pwd` }}} which will run the configure script that checks whether you have a current version of the * GNU Scientific Library (GSL) * Qt4 framework * Boost library 1.40 or newer with program_options and threads * CPPUnit framework ''--prefix'' is the argument to tell configure where all program code should go to (''`pwd`'' is the unix command for the current working directory). There are others, see {{{ ../configure --help }}} and some enable/disable switches you should check out: * ''--enable-hydrogen'' - says that hydrogen is treated special in the fragmentation parts * ''--enable-ecut'' - says that the !TestRunner, comprising all unit tests in one exectuable, shall make use of the Eclipse !CppUnitTest (ECUT). If this is started within eclipse with this plugin instanlled, a shiny interface will tell you what failed and what not. Now, we are ready to compile and install. {{{ make make install }}} And if everything went well, you should launch the unit tests and the testsuite by {{{ make check }}} If everything is OK, you have a working version of molecuilder in form of the executables '''bin/molecuilder''' and '''bin/molecuildergui'''.