mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-01 17:13:42 +02:00
125 lines
1.8 KiB
Bash
Executable File
125 lines
1.8 KiB
Bash
Executable File
#!/bin/bash
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#
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# Runs the programs.
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# Thu Jun 26 23:40:20 CEST 2014
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# Check environment
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###################
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if [[ -z $QPACKAGE_ROOT ]]
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then
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echo "Error:"
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echo "QPACKAGE_ROOT environment variable is not set."
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echo "source quantum_package.rc"
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exit 1
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fi
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# List of executables
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#####################
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declare -A EXECUTABLES
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for EXE in $(find $QPACKAGE_ROOT/src -type f -executable | grep -e "$QPACKAGE_ROOT/src/[^/]*/[^/]*$")
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do
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EXECUTABLES[$(basename ${EXE})]="${EXE}"
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done
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function print_list()
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{
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echo
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echo "Available programs:"
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echo
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for EXE in ${!EXECUTABLES[@]}
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do
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printf " * %-30s [ %s ]\n" $EXE ${EXECUTABLES[$EXE]}
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done | sort
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echo
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}
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# Help message
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##############
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function print_help()
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{
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cat << EOF
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Usage:
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qpackage -h | --help
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qpackage -l | --list
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qpackage run <program> <EZFIO_input>
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qpackage reset <EZFIO_input>
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Options:
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-h --help Print help message
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-l --list List executables
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EOF
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}
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ARGS=$(getopt -o "hl" -l "help,list" -n $0 -- "$@")
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[[ $? -eq 0 ]] || exit 1
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eval set -- "$ARGS"
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while true
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do
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case "$1" in
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-h|--help)
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print_help
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exit 0
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shift ;;
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-l|--list)
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print_list
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exit 0
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shift ;;
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--)
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shift
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break;;
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esac
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done
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# Run commands
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##############
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function run()
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{
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# run $EXE $EZFIO
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# Starts the executable in one process and
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# displays the output files in stdout
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EXE=${EXECUTABLES[$1]}
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EZFIO=$2
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date
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${QPACKAGE_ROOT}/scripts/follow_output.py ${EZFIO} &
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${EXE} ${EZFIO}
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kill -2 %1
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wait
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date
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}
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function reset()
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{
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# reset $EZFIO
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rm -rf $1/output/*.rst
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rm -rf $1/determinants/{n_det,psi_det.gz,psi_coef.gz}
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}
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COMMAND=$1
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shift
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case "${COMMAND}" in
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run)
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run $1 $2
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;;
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reset)
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reset $1
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;;
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*)
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print_help
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;;
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esac
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