mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-25 05:51:46 +02:00
Improved setup
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951538a01d
commit
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@ -27,4 +27,3 @@ echo '${QPACKAGE_ROOT}/irpf90/bin/irpman $@' > bin/irpman
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chmod +x bin/irpf90 bin/irpman
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chmod +x bin/irpf90 bin/irpman
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@ -41,22 +41,81 @@ export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/ocaml
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source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null
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source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null
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EOF
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EOF
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source quantum_package.rc
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source quantum_package.rc
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make EZFIO
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echo "${BLUE}===== Installing IRPF90 ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_irpf90.sh | tee install_irpf90.log
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if [[ ! -d ${QPACKAGE_ROOT}/irpf90 ]]
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then
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echo $RED "Error in IRPF90 installation" $BLACK
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exit 1
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fi
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if [[ ! -x ${QPACKAGE_ROOT}/bin/irpf90 ]]
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then
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echo $RED "Error in IRPF90 installation" $BLACK
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exit 1
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fi
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if [[ ! -x ${QPACKAGE_ROOT}/bin/irpman ]]
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then
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echo $RED "Error in IRPF90 installation" $BLACK
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exit 1
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fi
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echo "${BLUE}===== Installing EZFIO ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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then
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then
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echo $RED "Error in EZFIO installation" $BLACK
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echo $RED "Error in EZFIO installation" $BLACK
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exit 1
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exit 1
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fi
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fi
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make ocaml
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if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]]
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echo "${BLUE}===== Installing Zlib ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_zlib.sh | tee install_zlib.log
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echo "${BLUE}===== Installing Curl ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_curl.sh | tee install_curl.log
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echo "${BLUE}===== Installing M4 ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_m4.sh | tee install_m4.log
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echo "${BLUE}===== Installing EMSL Basis set library ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_emsl.sh | tee install_emsl.log
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if [[ ! -d ${QPACKAGE_ROOT}/EMSL_Basis ]]
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then
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then
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echo $RED "Error in ocaml installation" $BLACK
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echo $RED "Error in EMSL Basis set library installation" $BLACK
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exit 1
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exit 1
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fi
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fi
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make resultsFile
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echo "${BLUE}===== Installing EZFIO ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_ezfio.sh | tee install_ezfio.log
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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then
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echo $RED "Error in EZFIO installation" $BLACK
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exit 1
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fi
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echo "${BLUE}===== Installing Ocaml compiler and libraries ===== ${BLACK}"
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rm -f -- ocaml/Qptypes.ml
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${QPACKAGE_ROOT}/scripts/install_ocaml.sh | tee install_ocaml.log
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if [[ ! -f ${QPACKAGE_ROOT}/ocaml/Qptypes.ml ]]
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then
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echo $RED "Error in Ocaml installation" $BLACK
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exit 1
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fi
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echo "${BLUE}===== Installing resultsFile Python library ===== ${BLACK}"
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${QPACKAGE_ROOT}/scripts/install_resultsFile.sh
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if [[ ! -d ${QPACKAGE_ROOT}/resultsFile ]]
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if [[ ! -d ${QPACKAGE_ROOT}/resultsFile ]]
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then
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then
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echo $RED "Error in resultsFile installation" $BLACK
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echo $RED "Error in resultsFile installation" $BLACK
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@ -75,8 +134,8 @@ source ${QPACKAGE_ROOT}/quantum_package.rc
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" $BLACK
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" $BLACK
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mkdir -f install_logs
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mkdir -p ${QPACKAGE_ROOT}/install_logs
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mv *.log install_logs/
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mv ${QPACKAGE_ROOT}/*.log ${QPACKAGE_ROOT}/install_logs/
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if [[ $1 == "--robot" ]] ;
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if [[ $1 == "--robot" ]] ;
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then
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then
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