#!/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="$( cd "$(dirname "$BASH_SOURCE")" ; pwd -P )" cat << EOF > quantum_package.rc export IRPF90="${IRPF90}" export QPACKAGE_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}") ; pwd -P ) 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 source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null EOF source quantum_package.rc echo "${BLUE}===== Installing IRPF90 ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_irpf90.sh | tee install_irpf90.log if [[ ! -d ${QPACKAGE_ROOT}/irpf90 ]] then echo $RED "Error in IRPF90 installation" $BLACK exit 1 fi if [[ ! -x ${QPACKAGE_ROOT}/bin/irpf90 ]] then echo $RED "Error in IRPF90 installation" $BLACK exit 1 fi if [[ ! -x ${QPACKAGE_ROOT}/bin/irpman ]] then echo $RED "Error in IRPF90 installation" $BLACK exit 1 fi echo "${BLUE}===== Installing EZFIO ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]] then echo $RED "Error in EZFIO installation" $BLACK exit 1 fi echo "${BLUE}===== Installing Zlib ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_zlib.sh | tee install_zlib.log echo "${BLUE}===== Installing Curl ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_curl.sh | tee install_curl.log echo "${BLUE}===== Installing M4 ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_m4.sh | tee install_m4.log echo "${BLUE}===== Installing EMSL Basis set library ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_emsl.sh | tee install_emsl.log if [[ ! -d ${QPACKAGE_ROOT}/EMSL_Basis ]] then echo $RED "Error in EMSL Basis set library installation" $BLACK exit 1 fi echo "${BLUE}===== Installing EZFIO ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]] then echo $RED "Error in EZFIO installation" $BLACK exit 1 fi echo "${BLUE}===== Installing Ocaml compiler and libraries ===== ${BLACK}" rm -f -- ocaml/Qptypes.ml ${QPACKAGE_ROOT}/scripts/install_ocaml.sh | tee install_ocaml.log if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]] then echo $RED "Error in Ocaml installation" $BLACK exit 1 fi echo "${BLUE}===== Installing resultsFile Python library ===== ${BLACK}" ${QPACKAGE_ROOT}/scripts/install_resultsFile.sh if [[ ! -d ${QPACKAGE_ROOT}/resultsFile ]] then echo $RED "Error in resultsFile 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 mkdir -p ${QPACKAGE_ROOT}/install_logs mv ${QPACKAGE_ROOT}/*.log ${QPACKAGE_ROOT}/install_logs/ if [[ $1 == "--robot" ]] ; then exit 0 else source quantum_package.rc exec bash fi