/usr/share/psi/scripts/psi4depend-v2.sh is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 | #!/bin/bash
# This is a psi4 dependencies installer based on Robert Harrison's
# installer from madness. MSM
# You will need ~2GB of free disk to build and
# about 150MB of free disk to install.
#Specify the install and build directories
#(they will be made if they do not exist)
INSTALLDIR=$HOME/temp-install2
#BUILDDIR should be the fastest possible disk available
#this will be destroyed at the end
BUILDDIR=/scratch/$USER/temp-build2
#If you need to force the build type (apple needs this)
BUILD=""
#BUILD="--build=i686-apple-darwin8"
#BUILD="--build=x86_64-apple-darwin10"
#No. of processes to use when building gcc
NPROC=`cat /proc/cpuinfo | grep processor | wc -l`
#NPROC=4
# Versions of everything
#PSI4 needs the following:
AUTOCONFVER=autoconf-2.68
AUTOMAKEVER=automake-1.11
M4VER=m4-1.4.13
GMPVER=gmp-4.3.1 #mpc depend
MPFRVER=mpfr-2.4.2 #mpc depend
MPCVER=mpc-0.8.2 #gcc depend
GCCVER=gcc-4.1.2
MPICH2VER=mpich2-1.2.1
PYTHONVER=2.6.6
LAPACKVER=lapack-3.2.2
BOOST=1.48.0
######################################
# Should not need to modify below here
######################################
mkdir -p $INSTALLDIR
mkdir -p $BUILDDIR
#lets do some work
cd $BUILDDIR
export PATH=$INSTALLDIR/bin:$PATH
export LD_LIBRARY_PATH=$INSTALLDIR/lib:$INSTALLDIR/lib64:$LD_LIBRARY_PATH
# m4
echo 'WORKING ON M4'
curl -O http://vergil.chemistry.gatech.edu/download/$M4VER.tar.gz
tar xzf $M4VER.tar.gz
cd $M4VER
./configure --prefix=$INSTALLDIR
make
make install
cd ..
/bin/rm -rf $M4VER*
# autoconf
echo 'WORKING ON AUTOCONF'
curl -O http://vergil.chemistry.gatech.edu/download/$AUTOCONFVER.tar.gz
tar xzf $AUTOCONFVER.tar.gz
cd $AUTOCONFVER
./configure --prefix=$INSTALLDIR
make
make install
cd ..
/bin/rm -rf $AUTOCONFVER*
# automake
echo 'WORKING ON AUTOMAKE'
curl -O http://vergil.chemistry.gatech.edu/download/$AUTOMAKEVER.tar.gz
tar xzf $AUTOMAKEVER.tar.gz
cd $AUTOMAKEVER
./configure --prefix=$INSTALLDIR
make
make install
cd ..
/bin/rm -rf $AUTOMAKEVER*
# GMP - needed by gcc
echo 'WORKING ON GMP'
curl -O http://vergil.chemistry.gatech.edu/download/$GMPVER.tar.gz
tar xzf $GMPVER.tar.gz
cd $GMPVER
./configure --prefix=$INSTALLDIR $BUILD
make -j $NPROC
make install
cd ..
# MPFR - needed by gcc
echo 'WORKING ON MPFR'
curl -O http://vergil.chemistry.gatech.edu/download/$MPFRVER.tar.gz
tar xzf $MPFRVER.tar.gz
cd $MPFRVER
./configure --prefix=$INSTALLDIR --with-gmp=$INSTALLDIR $BUILD
make -j $NPROC
make install
cd ..
# MPC - needed by gcc
echo 'WORKING ON MPC'
curl -O http://vergil.chemistry.gatech.edu/download/$MPCVER.tar.gz
tar xzf $MPCVER.tar.gz
cd $MPCVER
./configure --prefix=$INSTALLDIR --with-gmp=$INSTALLDIR --with-mpfr=$INSTALLDIR $BUILD
make -j $NPROC
make install
cd ..
# gcc ... this will need about 2GB of empty space
echo 'WORKING ON GCC'
curl -O http://vergil.chemistry.gatech.edu/download/$GCCVER.tar.bz2
tar xjf $GCCVER.tar.bz2
mkdir build
cd build
../$GCCVER/configure --prefix=$INSTALLDIR --enable-languages=c,c++,fortran --with-gmp=$INSTALLDIR --with-mpfr=$INSTALLDIR --with-mpc=$INSTALLDIR --disable-checking $BUILD
make -j $NPROC
make install
cd ..
/bin/rm -rf $GCCVER* $GMPVER* $MPFRVER* $MPCVER* build
# mpich2
echo 'WORKING ON MPICH2'
MPICH2NUM=`echo $MPICH2VER | sed -e 's/mpich2-//'`
curl -O http://vergil.chemistry.gatech.edu/download/$MPICH2VER.tar.gz
tar xzf $MPICH2VER.tar.gz
cd $MPICH2VER
./configure --prefix=$INSTALLDIR --with-pm=gforker,mpd --enable-fast --disable-f90 $BUILD
make
make install
cd ..
/bin/rm -rf $MPICH2VER*
# Python
echo 'WORKING ON PYTHON'
curl -O http://vergil.chemistry.gatech.edu/download/Python-$PYTHONVER.tgz
tar xzf Python-$PYTHONVER.tgz
cd Python-$PYTHONVER
./configure --prefix=$INSTALLDIR
make clean
make install
cd ..
/bin/rm -rf Python-$PYTHONVER
# Blas and Lapack
echo 'WORKING ON BLAS AND LAPACK'
curl -O http://vergil.chemistry.gatech.edu/download/$LAPACKVER.tgz
tar xzf $LAPACKVER.tgz
cd $LAPACKVER
cp INSTALL/make.inc.gfortran make.inc
make blaslib
make lapacklib
cp lapack_LINUX.a $INSTALLDIR/lib/liblapack.a
cp blas_LINUX.a $INSTALLDIR/lib/libblas.a
cd ..
/bin/rm -rf $LAPACKVER
# BOOST
echo 'WORKING ON BOOST'
curl -O http://vergil.chemistry.gatech.edu/download/boost_1_48_0.tar.gz
tar xzf boost_1_48_0.tar.gz
cd boost_1_48_0
sh bootstrap.sh
./b2 --prefix=$INSTALLDIR
cd ..
/bin/rm -rf build
#destroy build dir
rm -rf $BUILDDIR
echo
echo
echo '======================================'
echo 'Add the following to your *.rc path:'
echo $INSTALLDIR/bin
echo 'Add the following to your *.rc LD_LIBRARY_PATH:'
echo $INSTALLDIR/lib:$INSTALLDIR/lib64
echo '======================================'
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