
----------------   INSTALL  README   ------------ (HDM 01/00, updated 05/06)

bashpath      : Sets the path to bash in all the bash-scripts.
                Run it,if your bash is not located at /bin/bash.

check_system  : Performs a simple check on which programs, compilers,
                etc are avilable.

dcompile      : LaTeX compilation of the documentation.

install_mctdh : MCTDH installation script. See below.

mctdhrc    : MCTDH rc file. Move it to ~/.mctdhrc and edit it according
             to your demands. (The install_mctdh script may do that).

mkdepend   : Make the dependencies list for the Makefile.
             (You don't need to run this script).


------------------   Description of install_mctdh   ---------------


To install the MCTDH program package you need a bash shell (version
3.x is recommended, but version 2.x will do as well) and a FORTRAN 77
compiler which supports some extensions like lower case Fortran code,
the getarg function etc. You also need a C compiler which cooperates
with your FORTRAN compiler, and you need a POSIX make.
If your make-command does not obey the POSIX standard, you should
install a GNU-make. If you want to make use of the shared-memory
parallelization your C-compiler must know the option "-pthread"
and the libraries "-lpthread" and "-lrt" must exist on your system.
If this is not assured use a compile script without parallelization,
i.e. choose "lenp" or "benp" when running "install_mctdh".

To install all parts of the documentation, you need latex2e (including
xdvi, dvips and some Latex packages, such as "AMSmath" or "fancyhdr").

To take full advantage of the analyse routines, you need GNUPLOT
version 4.0 or higher.

In the following "$MCTDH_DIR" stands for the path of the MCTDH directory
(e.g. "/home/my-name/MCTDH/mctdh84.2"), please substitute it.

Before installation you may wish to adapt the permissions to your
demand. See lines 31-45 of the compile-script ($MCTDH_DIR/bin/compile)
and act appropriately. You also may wish to read the installation
section of the on-line manual first.
(Load "file:///$MCTDH_DIR/doc/mctdh/gen.html" into your browser).

We strongly rely on the bash shell. If your bash is not found under
/bin/bash and if you do not have the privileges to set a link there,
you must run "$MCTDH_DIR/install/bashpathr". See the on-line
documentation and try "./bashpath -h" while being in $MCTDH_DIR/install.

If you work on computer network you may wish to set the variables
"ignore" and "substi" appropriately (See lines 15-20 of
$MCTDH_DIR/install/install_mctdh). The "ignore" part of a pathname
is then replaced by "substi" thus keeping the absolute path-names
short. See the documentation for further details.


To install the MCTDH package just type ./install_mctdh while being in
the install directory, or (necessary on older systems) type the full
absolute pathname of install_mctdh.

Answer all the questions (in general with "y") and you are done!
You may always abort install_mctdh by typing "Ctrl-C" on your
your console. If you think, you have chosen an inappropriate option,
just run ./install_mctdh again.
NOTE: If you rename, move or copy the entire MCTDH directory, you must
run install_mctdh again in order to set the paths correctly.
It is recommended not to change any file names. In particular
call the MCTDH directory like we call it, e.g mctdh84.2 .

When you are using bash (recommended), you may wish to copy
"$MCTDH_DIR/install/mctdhrc" to "$HOME/.mctdhrc", i.e. a "hidden"
file on your home directory. The "install_mctdh" script will
do that for you if you agree. The "~/.bashrc" will then source
this file. ".mctdhrc" sets some useful variables and the link
"$HOME/mctdh -> $MCTDH_DIR". More important, you have then
access to the useful bash-functions "cdm" and "minstall".
Typing just "cdm" will cd to $MCTDH_DIR, but "cdm opfuncs" or only
"cdm op" will cd to  $MCTDH_DIR/source/opfuncs. Similarly, "cdm fil"
will cd to $MCTDH_DIR/doc/filter and so on. Try it!
Finally, you may edit "$HOME/.mctdhrc" to define the paths
of addsurf, ELK, or MBACKUP directories there.
Remember not to create a file or directory with the path
"$HOME/mctdh" because .mctdhrc uses this path for the link.
Put all your mctdh stuff under e.g "$HOME/MCTDH".


If you have more than one MCTDH directory installed, you will find
"minstall" very useful. Typing "minstall path-of-other-mctdh-directory"
will make the other MCTDH directory active (in the present window).
See "minstall -h". "menv" tells you, which directory is active.
(minstall works only under bash and only when .mctdhrc is installed).

The scripts are written in bash but you may communicate with your
computer while using ksh, bash, csh or tcsh. See the on-line manual
for further details. (Use "file:$MCTDH_DIR/doc/index.html" as URL,
where $MCTDH_DIR stands for the path of the MCTDH directory.
When .mctdhrc is installed, it is more convenient to use the URL
"file://$HOME/mctdh/doc/index.html")

If you are using an architecture and/or compiler we have not used
before, you will have to edit the scripts compile.cnf, platform.cnf and
platform.cnf.csh. If you have done so, please send us the modified
files to include them in updated versions of this distribution.
On a modern Linux system there should be no problems.
As the install_mctdh script overwrites the files platform.cnf,
platform.cnf.csh, and compile.cnf every time it is executed, it is
recommended to act as follows. Write your own (private)
cnf-scripts and call them, e.g, compile.cnf_priv, platform.cnf.priv,
and platform.cnf.csh.priv . (The extension "priv" is essential).
Then run install_mctdh again and choose "priv".

If several MCTDH-users shall use the same package, the master-user shall
install the package as described above. All other users then have to
run "$MCTDH_DIR/install/install_mctdh -u". Make sure that the permissions
are set appropriately. If everybody works under bash, then there is even
a simpler way. All additional users have to source the file
$MCTDH_DIR/install/MCTDH_client , i.e. they should add
"source $MCTDH_DIR/install/MCTDH_client" to their .bashrc where
"$MCTDH_DIR" must be replaced by the path-name it stands for.

After installation a User's Guide (as PostScript file) is available in
the file $MCTDH_DIR/doc/guide/guide.ps.
Use this documentation for your first steps with the MCTDH package.


Have a lot of fun with MCTDH!

