#! /bin/bash ## Before running this script, make sure that the following numerical packages fftw2-devel.x86_64 fftw2.x86_64 fftw-static.x86_64 fftw-devel.x86_64 mpich2.x86_64 mpich2-devel.x86_64 libblas liblapack have been installed. The best option is to first download and execute the file http://www2.fizik.usm.my/configrepo/howto/inst_numeric before running this script. # This script will create a folder lamps-icms in ~/. # Choose either scp from www2 (not current version) or git (current/latest version) or wget. By default, wget is used. # Make sure you have git installed, or yum install git.x86_64 as root, if you wish to download with git clone (instead of scp) cd ~/ #scp -r tlyoon@www2.fizik.usm.my:/home/tlyoon/repo/lammps-icms . #git clone http://git.icms.temple.edu/lammps-icms.git lammps-icms #git clone takes a bit longer time to complete. wget http://www2.fizik.usm.my/configrepo/howto/lammps-icms/lammps-icms.tar tar -xvf lammps-icms.tar ################################################################# cd lammps-icms cd lib cd atc wget http://www2.fizik.usm.my/configrepo/howto/lammps-icms/Makefile.g++.lammps.atc.fedora15 mv Makefile.g++ Makefile.g++.bk cp Makefile.g++.lammps.atc.fedora15 Makefile.g++ make -f Makefile.g++ cd .. cd linalg make -f Makefile.gfortran cd .. cd meam make -f Makefile.gfortran cd .. cd reax make -f Makefile.gfortran cd .. cd poems make -f Makefile.g++ cd .. cd .. cd src make yes-all make no-gpu cd MAKE wget http://www2.fizik.usm.my/configrepo/howto/lammps-icms/Makefile.g++.lammps.src.MAKE.f15 cp Makefile.g++ Makefile.g++.bk cp Makefile.g++.lammps.src.MAKE.f15 Makefile.g++ cd .. make g++ echo 'alias lg++='~/lammps-icms/src/lmp_g++' >> ~/.bashrc