| 1 | = Compiling the Code = |
| 2 | |
| 3 | After you obtained the code as lined out in the RepositoryGuidelines, you do the following: |
| 4 | |
| 5 | {{{ |
| 6 | ./autogen.sh |
| 7 | }}} |
| 8 | |
| 9 | This creates the necessary autoconf and automake files. |
| 10 | |
| 11 | After this, |
| 12 | |
| 13 | {{{ |
| 14 | mkdir build |
| 15 | cd build |
| 16 | ../configure --prefix=`pwd` |
| 17 | }}} |
| 18 | |
| 19 | which will run the configure script that checks whether you have a current version of the |
| 20 | * GNU Scientific Library (GSL) |
| 21 | * Qt4 framework |
| 22 | * Boost library 1.40 or newer with program_options and threads |
| 23 | * CPPUnit framework |
| 24 | |
| 25 | ''--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 |
| 26 | {{{ |
| 27 | ../configure --help |
| 28 | }}} |
| 29 | and some enable/disable switches you should check out: |
| 30 | * ''--enable-hydrogen'' - says that hydrogen is treated special in the fragmentation parts |
| 31 | * ''--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. |
| 32 | |
| 33 | Now, we are ready to compile and install. |
| 34 | {{{ |
| 35 | make |
| 36 | make install |
| 37 | }}} |
| 38 | |
| 39 | And if everything went well, you should launch the unit tests and the testsuite by |
| 40 | {{{ |
| 41 | make check |
| 42 | }}} |
| 43 | |
| 44 | If everything is OK, you have a working version of molecuilder in form of the executables '''bin/molecuilder''' and '''bin/molecuildergui'''. |