mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-07 22:53:57 +01:00
122 lines
3.2 KiB
Bash
Executable File
122 lines
3.2 KiB
Bash
Executable File
#!/bin/bash
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#
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# Setup script. Downloads dependencies if they are not already present
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# in the current installation.
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# Thu Oct 23 22:02:08 CEST 2014
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BLUE="[34m"
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RED="[31m"
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BLACK="(B[m"
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QPACKAGE_ROOT="$( cd "$(dirname "$BASH_SOURCE")" ; pwd -P )"
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cat << EOF > quantum_package.rc
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export IRPF90="${IRPF90}"
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export QPACKAGE_ROOT=\$( cd \$(dirname "\${BASH_SOURCE}") ; pwd -P )
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export LD_LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LD_LIBRARY_PATH}
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export LIBRARY_PATH="\${QPACKAGE_ROOT}"/lib:\${LIBRARY_PATH}
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export C_INCLUDE_PATH="\${QPACKAGE_ROOT}"/include:\${C_INCLUDE_PATH}
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export PYTHONPATH=\${PYTHONPATH}:"\${QPACKAGE_ROOT}"/scripts
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export PYTHONPATH=\${PYTHONPATH}:"\${QPACKAGE_ROOT}"/scripts/ezfio_interface
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export PYTHONPATH=\${PYTHONPATH}:"\${QPACKAGE_ROOT}"/scripts/pseudo
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export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/scripts:"\${QPACKAGE_ROOT}"/scripts/ezfio_interface
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export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/bin
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export PATH=\${PATH}:"\${QPACKAGE_ROOT}"/ocaml
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source "\${QPACKAGE_ROOT}"/bin/irpman &> /dev/null
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EOF
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source quantum_package.rc
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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 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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echo $RED "Error in EMSL Basis set library 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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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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then
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echo $RED "Error in resultsFile installation" $BLACK
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exit 1
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fi
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echo $RED "
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=======================================================
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To complete the installation, add the following line to
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your ~/.bashrc:
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source ${QPACKAGE_ROOT}/quantum_package.rc
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=======================================================
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" $BLACK
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mkdir -p ${QPACKAGE_ROOT}/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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then
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exit 0
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else
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source quantum_package.rc
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exec bash
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fi
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