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REQUIREMENTS:
-------------
The libghemical package is optionally dependent on "mopac7" and "mpqc"
packages, in addition to the packages/files that are needed to compile
and run UNIX console programs and/or libraries.
You can get "mopac7-1.10.tgz" or newer from
http://sourceforge.net/projects/mopac7/
You can get "mpqc-1.2.5.tgz" or newer from
http://www.mpqc.org/download.php
This is the recommended way how to compile/install MPQC if you wish
to use it with ghemical:
tar zxvf mpqc-2.3.1.tar.gz
mkdir mpqctarget
cd /home/youracct/mpqctarget
/home/youracct/mpqc-2.3.1/configure --disable-parallel
make
make install [run as root user]
make install_devel [run as root user]
Other software/packages that are needed to compile and run this library
are:
g++ gcc version 2.95.4 or later
make GNU Make version 3.76.1
pkg-config pkg-config-0.15
In short, any up-to-date Linux installation like Redhat 9.0, Mandrake 9.0
or Debian 3.0 should work, if the necessary development packages (that
contain the header files) are also present, in addition to the standard
packages (that contain the libraries).
INSTALLATION:
-------------
Simple set of commands
./autogen.sh
./configure
make
make install [run as root user]
will produce a library version in which all the optional dependencies
mentioned above are disabled. You can enable the options by adding the
following statements to the configuration script command line:
./configure --enable-mopac7 --enable-mpqc
For more options and information you can try
./configure --help
If at configuration step you get stuck and see some error messages about
PKG_CONFIG, please try the following tricks (and re-try ./configure):
export PKG_CONFIG=pkg-config
export PKG_CONFIG_PATH=/usr/local/lib/pkgconfig
If you are compiling with MPQC support and get stuck with messages about
SC_CONFIG, please try this (with correct path set, and re-try ./configure):
export SC_CONFIG=/usr/local/mpqc/2.3.1/bin/sc-config
Also if problems appear you might want to try updating the configuration
files using commands at the top of the source tree (and re-try ./configure):
aclocal
autoconf
autoheader
automake
libtoolize --copy --force
This is an example how to set different compiler versions in Makefiles:
CC=gcc-3.4 CXX=g++-3.4 ./configure
The "make install"-command will copy the library and some extra files to
their proper places so that the library can be used in other programs.
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