#! /bin/bash

# Mandatory requirement: composer_xe_2015.3.187
# /gclst/tlyoon/share/apps/intel/composer_xe_2015.3.187
# MKLINCLUDE=/gclst/tlyoon/share/apps/intel/composer_xe_2015.3.187/mkl/include
# MKLPATH= /gclst/tlyoon/share/apps/intel/mkl/lib/intel64
# FC=/gclst/tlyoon/local/estools/openmpi/1.10.2/intel/bin/mpif90
# /gclst/tlyoon/share/apps/intel/mkl/lib/intel64/libfftw3xf_intel.a 

## note: to creat libfftw3xf_intel.a: cd /gclst/tlyoon/share/apps/intel/mkl/interfaces/fftw3xf/; make libintel64 compiler=intel; cd /gclst/tlyoon/share/apps/intel/mkl/lib/intel64; ln -s /gclst/tlyoon/share/apps/intel/mkl/interfaces/fftw3xf/libfftw3xf_intel.a .

mkdir ~/VASP

cd ~/VASP
mkdir pot
cd pot
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/pot/potcar.Apr00.tar
tar -xvf potcar.Apr00.tar

cd ~/VASP
mkdir pot_GGA
cd pot_GGA
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/pot_GGA/potcar_GGA.Apr00.tar
tar -xvf potcar_GGA.Apr00.tar

cd ~/VASP
mkdir Potentials
cd Potentials
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/Potentials/potpaw_GGA.tar
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/Potentials/potpaw_LDA.tar
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/Potentials/potpaw_PBE.tar
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/Potentials/potUSPP_GGA.tar
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/Potentials/potUSPP_LDA.tar
tar -xvf potpaw_GGA.tar  
tar -xvf potpaw_LDA.tar  
tar -xvf potpaw_PBE.tar  
tar -xvf potUSPP_GGA.tar  
tar -xvf potUSPP_LDA.tar

cd ~/VASP
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/bench.Hg.tar 
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/benchmark.tar
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/vasp.util.tar
tar -xvf bench.Hg.tar 
tar -xvf benchmark.tar 
tar -xvf vasp.util.tar

mkdir ~/VASP/src
cd ~/VASP/src
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/vasp.4.lib.src.tar
tar -xvf vasp.4.lib.src.tar
cd vasp.4.lib
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/make.gclce_ifort
make -f make.gclce_ifort

cd ..
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/vasp.4.6.src.tar
tar -xvf vasp.4.6.src.tar
cd vasp.4.6
wget http://10.205.18.24/configrepo/howto/customise_centos/vasp4.6/makefile.gclce_ifort
make -f makefile.gclce_ifort