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qmcchem/scripts/compile_src.sh

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2015-12-20 01:09:14 +01:00
#!/bin/bash
if [[ -z ${QMCCHEM_PATH} ]]
then
echo "Error: qmcchemrc not loaded"
exit -1
fi
2019-09-30 20:09:54 +02:00
cd ${QMCCHEM_PATH}/src || exit -1
source ${QMCCHEM_PATH}/make.config
LIB="${LIB} ${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz"
SRC="${SRC} ZMQ/f77_zmq_module.f90"
OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o"
INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ"
IRPF90_FLAGS="${IRPF90_FLAGS} ${INCLUDES}"
# Check IRPF90 version
if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
then
echo "IRPF90 version >= 1.6 required"
exit -1
fi
export IRPF90 IRPF90_FLAGS INCLUDES LIB SRC OBJ
exec make ${@}