centos7.5 安装gaussian09和 gaussianview4

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一、安装gaussian09

1. 解压安装包

$ mkdir Gaussian
$ cd Gaussian
$ tar xvf g09_linux.tar

2. 设置环境变量

#gaussian09

export PATH=$Programs/Gaussian/g09:$PATH

export g09root=$Programs/Gaussian

source $g09root/g09/bsd/g09.profile

export GUASS_EXEDIR=$g09root/g09

export GAUSS_SCRDIR=$g09root/g09/scratch/tmp

export LD_LIBRARY_PATH=$g09root/g09

3.错误 PGFIO/stdio: No such file or directory 解决方法：

mkdir -p $GAUSS_SCRDIR

4. g16安装方法基本类似

二、安装gaussianview4

1. 安装必要的库

$ yum install glibc-devel.i686 freeglut-devel.i686 mesa-libGLU-devel.i686 libXmu-devel.i686 libstdc++-devel.i686 compat-libstdc++-.i686 libstdc++-static.i686 libXrender-devel.i686 libXrandr-devel.i686 libXcursor-devel.i686 libXft-devel.i686

2. 解压gv04

$ tar zxvf gv--Linux-x86.tar.gz

3. 设置环境变量

#gaussianview4

export GV_DIR=$Programs/Gaussian/gv

export LIBPATH=$GV_DIR/lib

export PATH=$GV_DIR:$PATH

export LD_LIBRARY_PATH=$GV_DIR/lib:$LD_LIBRARY_PATH

alias gv='gview.exe'

4. 运行