mirror of
https://github.com/LCPQ/quantum_package
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64 lines
1.4 KiB
Bash
Executable File
64 lines
1.4 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=${PWD}
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if [[ -z ${IRPF90} ]] ;
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then
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make irpf90
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IRPF90=${QPACKAGE_ROOT}/bin/irpf90
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if [[ ! -x ${IRPF90} ]]
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then
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echo $RED "Error in IRPF90 installation" $BLACK
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exit 1
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fi
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fi
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cat << EOF > quantum_package.rc
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export IRPF90=${IRPF90}
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export QPACKAGE_ROOT=${QPACKAGE_ROOT}
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export PYTHONPATH=\${PYTHONPATH}:\${QPACKAGE_ROOT}/scripts
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/scripts
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/bin
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/ocaml
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export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache"
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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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make EZFIO
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if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]]
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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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make ocaml
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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 $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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source quantum_package.rc
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exec bash
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