#! /bin/bash

# This script installs lammps-5Mar12 automatically in a Rocks Linux ver 5.X cluster (OS based on CENTOS5) /share/apps/lammps-5MarchSep12_intel directory. 
# This script must be run as su. It works for anicca and comsics.

## requirement (mandatory):
## /share/apps/fftw3
## /share/apps/intel/impi/4.1.0.024
## /share/apps/intel/Compiler/11.1/072 
 
## package user-omp is installed.


######### begin downloading ###########################
cd /share/apps
mkdir lammps-5Mar12_intel
cd /share/apps/lammps-5Mar12_intel
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps-5Mar12.tar.gz
tar -zxvf lammps-5Mar12.tar.gz
mv lammps-5Mar12/* .
rm -rf lammps-5Mar12
 
####### begin installation ####################################################

# atc #
cd /share/apps/lammps-5Mar12_intel
cd lib
cd atc
rm -f Makefile.lammps
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/atc/Makefile.anicca
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/atc/Makefile.lammps
make -f Makefile.anicca

# linalg #
cd /share/apps/lammps-5Mar12_intel/lib
cd linalg
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/linalg/Makefile.anicca
make -f Makefile.anicca


# meam #
cd /share/apps/lammps-5Mar12_intel/lib
cd meam
rm -f Makefile.lammps
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/meam/Makefile.lammps
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/meam/Makefile.anicca
make -f Makefile.anicca

# poems #
cd /share/apps/lammps-5Mar12_intel/lib
cd poems
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/poems/Makefile.anicca
make -f Makefile.anicca


# reax #
cd /share/apps/lammps-5Mar12_intel/lib
cd reax
rm -f Makefile.lammps
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/reax/Makefile.lammps
#wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/reax/Makefile.lammps.anicca
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/lib/reax/Makefile.anicca
make -f Makefile.anicca


# Now exit /lib 
cd /share/apps/lammps-5Mar12_intel/src/MAKE
wget http://www2.fizik.usm.my/configrepo/howto/mylammps/lammps_template_anicca_5March_12/src/MAKE/Makefile.anicca

cd /share/apps/lammps-5Mar12_intel/src
make yes-all
make no-user-cuda
make no-gpu
make no-user-awpmd
make no-kim
make anicca

### creating link
cd /share/apps/lammps-5Mar12_intel/src
rm -rf lmp_intel
ln -s lmp_anicca lmp_intel
cd /share/apps/local/bin
rm -rf lmp_intel
ln -s /share/apps/lammps-5Mar12_intel/src/lmp_intel .

# place the path /share/apps/local/bin in the .bashrc of home users who wishes to use the executable lmp_intel