#!/bin/bash # # Setup script. Downloads dependencies if they are not already present # in the current installation. # Thu Oct 23 22:02:08 CEST 2014 BLUE="" RED="" BLACK="(B" QPACKAGE_ROOT=${PWD} if [[ -z ${IRPF90} ]] ; then make irpf90 IRPF90=${QPACKAGE_ROOT}/bin/irpf90 if [[ ! -x ${IRPF90} ]] then echo $RED "Error in IRPF90 installation" $BLACK exit 1 fi fi if [[ -z ${OCAMLBREW_BASE} ]] then export OCAMLBREW_BASE="$HOME/ocamlbrew" fi cat << EOF > quantum_package.rc export IRPF90=${IRPF90} export OCAMLBREW_BASE=${OCAMLBREW_BASE} export QPACKAGE_ROOT=${QPACKAGE_ROOT} export LD_LIBRARY_PATH="\${QPACKAGE_ROOT}/lib":\${LD_LIBRARY_PATH} export LIBRARY_PATH="\${QPACKAGE_ROOT}/lib":\${LIBRARY_PATH} export C_INCLUDE_PATH=\${QPACKAGE_ROOT}/include:\${C_INCLUDE_PATH} export PYTHONPATH=\${PYTHONPATH}:\${QPACKAGE_ROOT}/scripts export PATH=\${PATH}:\${QPACKAGE_ROOT}/scripts export PATH=\${PATH}:\${QPACKAGE_ROOT}/bin export PATH=\${PATH}:\${QPACKAGE_ROOT}/ocaml export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache" source "\${QPACKAGE_ROOT}/bin/irpman" &> /dev/null source "\${OCAMLBREW_BASE}"/ocaml-4*/etc/ocamlbrew.bashrc &> /dev/null EOF source quantum_package.rc make EZFIO if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]] then echo $RED "Error in IRPF90 installation" $BLACK exit 1 fi make ocaml if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]] then echo $RED "Error in ocaml installation" $BLACK exit 1 fi echo $RED " ======================================================= To complete the installation, add the following line to your ~/.bashrc: source ${QPACKAGE_ROOT}/quantum_package.rc ======================================================= " $BLACK source quantum_package.rc exec bash