#! /bin/bash

## This scrip install sequential version of wein2k, version 20909 into a Rocks linux machine preinstalled with intel fortran version 11.1.072. The wien2k will be installed in /share/apps/wien2k. Installation of intel compiler can be done by referring to http://www2.fizik.usm.my/configrepo/howto/intel/inst_ifort_sa.

## A folder wien2k_seq will be created in /share/apps

mkdir /share/apps/wien2k_seq
cd /share/apps/wien2k_seq

scp tlyoon@10.205.19.205:/home/tlyoon/repo/wien2k/WIEN2k_290909.tar .

tar -xvf WIEN2k_290909.tar
gunzip *.gz
./expand_lapw
./siteconfig_lapw

## When prompted for compiler just press enter to accept the default.
## When prompted to edit lblas and lapack, say save and quit. 
## Says no to all parallel options (inlcuding shared memory).
## When prompted to edit lapw0, just say no. 
## When prompted, do not recompile. Choose Quit instead. 
## If running this script, siteconfig_lapw will be run for second time. Real compilation will take place only in the second round of siteconfig_lapw. 


## Running siteconfig_lapw for the second time. Real compilation will happen in this round.
cd /share/apps/wien2k_seq
mv OPTIONS OPTIONS.orig
wget http://www2.fizik.usm.my/configrepo/howto/wien2k/OPTIONS_i111072_seq_sa .
mv OPTIONS_i111072_seq_sa OPTIONS
touch COMPILER
echo 'ifort' > COMPILER

## run ./siteconfig_lapw again. Say yes to all the options except for shared memory and mpi options.
./siteconfig_lapw

## When promted again in siteconfig, choose o to edit lblas and lapack. Just say yes and save.
## When promted, choose R to recompile all. If succesful, there will be no error at the end of installation.
## When compilation is successful, choose Quit. In userconfig, just press enter to accept the default choice. Do not edit .rhost. 

## userconfig_lapw will be run after Quitting. 
./userconfig_lapw

## w2web will be configured. You will be promted for admin and password. If left unasnwered, the default userid will be 'admin', and password will be 'password'. Enter yes to all the prompt.

#. ~/.bashrc
#w2web

## In case the default port number 7890 has already been used, simply issue 

# w2web -p portnumber
# where portnumber is any number > 7890 (say 7900)
# Launch wien2k web by issuing 'w2web'. Or alternatively, issue e.g., 'firefox http://chakra:7900'
# A webbrowser will be fired, with the url e.g., http://chakra:7900
# Bookmark the url for future use.