Added QMCkl to QMC=CHEM as a submodule.

.gitmodules

@@ -0,0 +1,3 @@
+[submodule "src/qmckl"]
+	path = src/qmckl
+	url = https://github.com/TREX-CoE/qmckl

scripts/compile_irpf90.sh

@@ -30,9 +30,9 @@ 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"
+SRC="${SRC} ZMQ/f77_zmq_module.f90 QMCkl/qmckl_f.f90" 
+OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o IRPF90_temp/QMCkl/qmckl_f.o"
+INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ -I QMCkl"
 IRPF90_FLAGS="${IRPF90_FLAGS}"
 
 # Check IRPF90 version

scripts/compile_src.sh

@@ -13,10 +13,9 @@ cd ${QMCCHEM_PATH}/src || exit -1
 source ${QMCCHEM_PATH}/make.config
 
 LIB="${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt -lz ${LIB}"
-SRC="${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} ${INCLUDES}"
+SRC="${SRC} ZMQ/f77_zmq_module.f90 QMCkl/qmckl_f.f90" 
+OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o IRPF90_temp/QMCkl/qmckl_f.o"
+INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ -I QMCkl"
 
 # Check IRPF90 version
 if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]

src/QMCkl/qmckl_f.f90

@@ -0,0 +1 @@
+../../share/qmckl/fortran/qmckl_f.f90

src/qmckl

@@ -0,0 +1 @@
+Subproject commit de03986bda2be207377875ed5a0852cb721b86b9

src/simulation.irp.f

@@ -1,4 +1,5 @@
 BEGIN_PROVIDER [ logical, is_worker ]
+ use qmckl
  implicit none
  BEGIN_DOC
  ! True if the process is a worker process