#/bin/bash 

# statepartition1_packages, to be installed in the dir=/state/partition1 directory
# Manual responses are needed


###### PRELIMINARY ################################
dir='/state/partition1'

if [ ! -d "$dir" ] ; then
     mkdir -p dir
fi
echo ' ' 

testdir=/share/apps/configrepo
###### END OF PRELIMINARY ################################


#1. Intel Paralell studio (~ 15 mins, excluding time to download the installation source)
##  Do not install the intel parallel studio if it is already installed in /opt/intel in a node. Note also that if intel parallel studio already existed in /opt/intel, the installation will be automatically terminated. Follow the following instruction if you still wish to proceed with the installation of intel parallel studio in a node.

	cd /share/apps/configrepo
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/intel/inst_intel_parallelstudioXE17_opt.txt
	chmod +x inst_intel_parallelstudioXE17_opt.txt
	./inst_intel_parallelstudioXE17_opt.txt
	
#### Note that it is possible to opt to not to make any download and installation upon executing inst_intel_parallelstudioXE17_opt.txt.
#### Install in the default directory /opt/intel

# After the completion of the installation of intel parallel studio in a given node, it is possible that the necessary symbolic link required by later applications is not done /opt/intel. For the sake of robustness, perform the symbolic linking in the node via the folliwing command line, i.e.,

cd /opt/intel
lastdir=compilers_and_libraries_2017
yn=$("if [ -d  /opt/intel/compilers_and_libraries ]; then echo 1; else echo 0; fi")
if [ "$yn" -eq 1 ];then
	echo /opt/intel/compilers_and_libraries exists in $HOSTNAME. Not to do symbolic link
fi

if [ "$yn" -eq 0 ];then
	echo /opt/intel/compilers_and_libraries does not exist in $HOSTNAME. Do symbolic link
	cd /opt/intel; ln -s $lastdir compilers_and_libraries
fi

# 1.5 install fftw3 lib in the intel parallel studio 
cd /opt/intel/compilers_and_libraries/linux/mkl/interfaces/fftw3xf/
make libintel64 compiler=intel INTERFACE=ilp64
cp libfftw3xf_intel.a  /opt/intel/compilers_and_libraries/linux/mkl/lib/intel64/


#2. Install LAMMPS with intel compilers + gpu accelerator in /state/partition1. #### not in /share/apps #####
	### An auto process; do not need manual response.
	cd /share/apps/configrepo
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/lammps/inst_lammps-19Mar20_intel_sp1.txt
	chmod +x inst_lammps-19Mar20_intel_sp1.txt
	./inst_lammps-19Mar20_intel_sp1.txt
	ln -s /state/partition1/lammps-19Mar20_intel /share/apps/
	
#3. Tunned atlas libraries (lapack and gnu) with gnu compilers
# 	Install optimised atlas libraries ver 3.10.2 in /state/partition1/atlas-3-10-2/gnu
	cd /share/apps/configrepo
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/BLAS_and_LAPACK/inst_atlas_worked_sp1
    chmod +x inst_atlas_worked_sp1
    ./inst_atlas_worked_sp1
#   Be warned that this installtion may not work as intended due to failure of setting off the cpu throttling.

#4
##  vmd, to be installed in /state/partition1
	cd /share/apps/configrepo
	wget http://comsics.usm.my/configrepo/howto/customise_centos/vmd/inst_vmd_194_sp1.txt
	chmod +x inst_vmd_194_sp1.txt
	./inst_vmd_194_sp1.txt


#5.  Install Mathematica in dir=/state/partition1
cd $testdir
f2i=Mathematica_11.0.0_LINUX.sh

if [ ! -e "$f2i" ] ; then
     echo "$f2i" not found
else 
	 echo "$f2i" found.
fi
echo ' ' 

read -p "Press ENTER to proceed with the download of $f2i. Press 'n' if DO NOT wish to download $f2i. " pass
if test "$pass" = "n"
then
     	echo "Will not download" $f2i
else
	echo "To scp " $f2i
	scp root@anicca.usm.my:/share/apps/configrepo/Mathematica_11.0.0_LINUX.sh .
fi
echo ' ' 

read -p "Press ENTER to proceed with the installation of $f2i. Press 'n' if DO NOT wish to proceed with the installation of $f2i. " pass
if test "$pass" = "n"
then
     echo "Will not proceed with the installatoin of " $f2i
else
     echo "Proceed with the installatoin of " $f2i
## %%%%%
		./Mathematica_11.0.0_LINUX.sh   ### response to prompt, install it in /state/partition1/Wolfram instead of in the default directory.

fi # end if "Proceed with the installatoin of " $f2i