| 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /**
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| 9 | * \file install.dox
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| 10 | *
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| 11 | * Created on: Oct 28, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | /**
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| 16 | * \page install Installation
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| 17 | *
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| 18 | * \section install-compiling Compiling the Code
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| 19 | *
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| 20 | * After you obtained the code, you do the following:
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| 21 | *
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| 22 | * \code
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| 23 | * ./bootstrap
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| 24 | * \endcode
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| 25 | *
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| 26 | * This creates the necessary autoconf and automake files.
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| 27 | *
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| 28 | * After this,
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| 29 | *
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| 30 | * \code
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| 31 | * mkdir build
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| 32 | * cd build
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| 33 | * ../configure --prefix=`pwd`
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| 34 | * \endcode
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| 35 | *
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| 36 | * which will run the configure script that checks whether you have a current
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| 37 | * version of the following required packages:
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| 38 | *
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| 39 | * -# GNU Scientific Library (specify via LDFLAGS, ...)
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| 40 | * -# Qt4 framework (--with-Qt=<dir> or --with-Qt-include-dir, --with-Qt-bin-dir,
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| 41 | * --with-Qt-lib-dir and --with-Qt-lib)
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| 42 | * -# Boost library 1.40 or newer with program_options and threads (--with-boost=<dir>)
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| 43 | * -# CPPUnit framework (--with-cppunit-prefix=<dir>)
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| 44 | * -# CodePatterns (--with-codepatterns=<dir>)
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| 45 | *
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| 46 | * The following packages are optional (code parts/features are disabled if not
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| 47 | * found:
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| 48 | * -# JobMarket (--enable-jobmarket --with-jobmarket=<dir>
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| 49 | * -# VMG library of ScaFaCoS (--enable-vmg --with-vmg-mpi MPICXX=mpicxx PKGCONFIG=<path to ScaFaCoS pkdir>)
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| 50 | * -# levmar (--with-levmar=<dir>)
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| 51 | *
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| 52 | * \a --prefix is the argument to tell configure where all program code should go
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| 53 | * to (pwd is the unix command for the current working directory). There are
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| 54 | * others, see
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| 55 | *
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| 56 | * \code
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| 57 | * ../configure --help
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| 58 | * \endcode
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| 59 | *
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| 60 | * and some enable/disable switches you should check out:
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| 61 | *
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| 62 | * - \a --enable-ecut - says that the TestRunner, comprising all unit tests in one
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| 63 | * exectuable, shall make use of the Eclipse CppUnitTest (ECUT). If this is
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| 64 | * started within eclipse with this plugin installed, a shiny interface will tell
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| 65 | * you what failed and what not.
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| 66 | * - \a --enable-debug - activates many internal asserts, memory debugger and more
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| 67 | * (makes code a lot slower but gives information in case something fails)
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| 68 | * - \a --enable-python - activates python scripting. For one you can control
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| 69 | * molecuilder within your python code by simply calling its actions. For another
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| 70 | * it automatically executes a script \b molecuilder.py in the current folder
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| 71 | * prior to launching the respective UI.
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| 72 | * - \a --disable-cache - disables caching of certain variables (see CodePatterns).
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| 73 | * - \a --enable-valgrind - each test of the testsuite is launched by wrapping
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| 74 | * the call through valgrind checking on correct handling of memory.
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| 75 | * - \a --with-levmar=<path> - if levmar package is found under given path and
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| 76 | * LAPACK is installed, then FunctionApproximation can be used to fit potentials.
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| 77 | *
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| 78 | * \note A note about configure: If one library is found only under some specific path, you
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| 79 | * can add CFLAGS, CPPFLAGS, LDFLAGS, ... to the configure call, like this
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| 80 | * \code
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| 81 | * ../configure --prefix=`pwd` --enable-hydrogen CFLAGS="-Wall -g3" CXXFLAGS="-Wall -g3"
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| 82 | * \endcode
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| 83 | * which enables all compiler warnings and full debugging of the code without any
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| 84 | * optimization. configure saves these variables, too, such that when it is called
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| 85 | * to re-configure it will still make use of them from its cache file.
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| 86 | *
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| 87 | * There are several flags that change the way molecuilder is compiled and probably
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| 88 | * make it run faster, more unsafe, ...
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| 89 | * -# \a -DLOG_OBSERVER, What the Observers do is logged, the log is printed on exit
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| 90 | * -# \a -DNO_MEMDEBUG, MemDebug (memory debugger) is disabled
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| 91 | * -# \a -DNO_CACHING, Cachable are short-wired, i.e. always recalculate, this slows
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| 92 | * down the code a lot
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| 93 | * -# \a -DNDEBUG, include NO_MEMDEBUG, also ASSERTs are not checked, this speeds up
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| 94 | * the code by a factor of 5
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| 95 | *
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| 96 | * \section install-install Installing
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| 97 | *
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| 98 | * Now, we are ready to compile and install.
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| 99 | *
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| 100 | * \code
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| 101 | * make
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| 102 | * make install
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| 103 | * \endcode
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| 104 | *
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| 105 | * \attention If you have a multi-core system, it is highly recommended to use the
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| 106 | * \a -j option of make to allow for multiple threads to work on compiling or
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| 107 | * checking the codfe simultaneously.
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| 108 | *
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| 109 | * And if everything went well, you should launch the unit tests and the testsuite
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| 110 | * by (see section \ref tests on how to launch the tests individually)
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| 111 | *
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| 112 | * \code
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| 113 | * make check
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| 114 | * \endcode
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| 115 | *
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| 116 | * If everything is OK, you have a working version of MoleCuilder in form of the
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| 117 | * executables \b bin/molecuilder and \b bin/molecuildergui.
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| 118 | *
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| 119 | * If you have to delete all compiled stuff, enter
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| 120 | *
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| 121 | * \code
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| 122 | * make clean
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| 123 | * \endcode
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| 124 | *
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| 125 | * or
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| 126 | *
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| 127 | * \code
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| 128 | * make distclean
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| 129 | * \endcode
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| 130 | *
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| 131 | * which will also delete all autoconf stuff for configure.
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| 132 | *
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| 133 | * distclean is at times necessary when stuff does not compile and there's
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| 134 | * seemingly no logic behind it, i.e. especially when paths of modules have
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| 135 | * changed. To recover your configure options, either look at \b config.log in
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| 136 | * the build directory or enter
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| 137 | *
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| 138 | * \code
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| 139 | * ./config.status --version
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| 140 | * \endcode
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| 141 | *
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| 142 | * Further useful commands are
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| 143 | * -# make clean uninstall: deletes .o-files and removes executable from the given
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| 144 | * binary directory
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| 145 | * -# make doc: Creates these html pages out of the documented source
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| 146 | * -# make distcheck: Checks whether the code compiles and all tests runs without
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| 147 | * from a distributed archive. This is checked for each release version.
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| 148 | *
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| 149 | * \date 2012-12-20
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| 150 | */
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