mirror of
https://gitlab.com/scemama/qmcchem.git
synced 2024-07-07 11:55:47 +02:00
Added QMCkl to QMC=CHEM as a submodule.
This commit is contained in:
parent
8471cb050a
commit
cb46a0ff1d
3
.gitmodules
vendored
Normal file
3
.gitmodules
vendored
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@ -0,0 +1,3 @@
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[submodule "src/qmckl"]
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path = src/qmckl
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url = https://github.com/TREX-CoE/qmckl
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@ -30,9 +30,9 @@ echo Running IRPF90
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source ${QMCCHEM_PATH}/make.config
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source ${QMCCHEM_PATH}/make.config
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LIB="${LIB} ${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz"
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LIB="${LIB} ${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz"
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SRC="${SRC} ZMQ/f77_zmq_module.f90"
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SRC="${SRC} ZMQ/f77_zmq_module.f90 QMCkl/qmckl_f.f90"
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OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o"
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OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o IRPF90_temp/QMCkl/qmckl_f.o"
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INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ"
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INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ -I QMCkl"
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IRPF90_FLAGS="${IRPF90_FLAGS}"
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IRPF90_FLAGS="${IRPF90_FLAGS}"
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# Check IRPF90 version
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# Check IRPF90 version
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@ -13,10 +13,9 @@ cd ${QMCCHEM_PATH}/src || exit -1
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source ${QMCCHEM_PATH}/make.config
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source ${QMCCHEM_PATH}/make.config
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LIB="${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz ${LIB}"
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LIB="${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz ${LIB}"
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SRC="${SRC} ZMQ/f77_zmq_module.f90"
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SRC="${SRC} ZMQ/f77_zmq_module.f90 QMCkl/qmckl_f.f90"
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OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o"
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OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o IRPF90_temp/QMCkl/qmckl_f.o"
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INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ"
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INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ -I QMCkl"
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IRPF90_FLAGS="${IRPF90_FLAGS} ${INCLUDES}"
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# Check IRPF90 version
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# Check IRPF90 version
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if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
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if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
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1
src/QMCkl/qmckl_f.f90
Symbolic link
1
src/QMCkl/qmckl_f.f90
Symbolic link
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../../share/qmckl/fortran/qmckl_f.f90
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1
src/qmckl
Submodule
1
src/qmckl
Submodule
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Subproject commit de03986bda2be207377875ed5a0852cb721b86b9
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@ -1,4 +1,5 @@
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BEGIN_PROVIDER [ logical, is_worker ]
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BEGIN_PROVIDER [ logical, is_worker ]
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use qmckl
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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! True if the process is a worker process
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! True if the process is a worker process
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