#!/bin/bash if [[ -z ${QMCCHEM_PATH} ]] then echo "Error: qmcchemrc not loaded" exit -1 fi cd ${QMCCHEM_PATH}/src LSMD5_FILE=${QMCCHEM_PATH}/src/.ls_md5 FILES="*.f *.f90 *.F *.py */*.f */*.f90 */*.F */*.py" MD5=$(ls -ltr --full-time ${FILES} 2>/dev/null | md5sum | cut -d ' ' -f 1) REF=0 if [[ -f ${LSMD5_FILE} ]] then REF=$(cat ${LSMD5_FILE}) fi if [[ ${MD5} == ${REF} ]] then exit 0 fi echo ${MD5} > ${LSMD5_FILE} echo Running IRPF90 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}" # 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 ${IRPF90} ${IRPF90_FLAGS} ${INCLUDES} || exit -1