[资源] 【原创】CPMD3.15.1 和3.13.2在Ubuntu下的自动下载，安装，测试脚本 （Gfortran）

#!/bin/sh
# 'ubuntucpmd15' from Ernst Schumacher
# Version 2012-08-04
# make sure we are in /home/$USER
cd /home/$USER
export PATH=.:$PATH
echo 'check the second box "... (universe)",'
echo 'then "close", "close" again'
echo 'and later "Y" when asked to continue'
gksu gksu --desktop /usr/share/applications/software-properties.desktop /usr/bin/software-properties-gtk
sudo apt-get update
sudo apt-get install tcsh make eog gfortran libblas-dev libatlas-base-dev fftw-dev
test -e ./cpmdmake15 || wget chemsoft.ch/downloads/cpmdmake15
test -e ./cpmd-v3_15_1.tgz || wget chemsoft.ch/downloads/cpmd-v3_15_1.tgz
test -e ./cpmd2cube.tar.gz || wget chemsoft.ch/downloads/cpmd2cube.tar.gz
test -e ./cpmd-test.tar.gz || wget chemsoft.ch/downloads/cpmd-test.tar.gz
chmod +x cpmdmake15
./cpmdmake15
exit

export LD_LIBRARY_PATH=/home/$USER/CPMD-3.15.1

test -e ./cpmdmake15 || wget chemsoft.ch/downloads/cpmdmake15
test -e ./cpmd-v3_15_1.tgz || wget chemsoft.ch/downloads/cpmd-v3_15_1.tgz

test -e ./cpmdmake || wget chemsoft.ch/downloads/cpmdmake
#test -e ./cpmd-v3_15_1.tgz || wget chemsoft.ch/downloads/cpmd-v3_15_1.tgz