From cb46a0ff1d83335acc63044015a9bd08477dc8ad Mon Sep 17 00:00:00 2001
From: Abdallah Ammar <abd.ammar.phys@gmail.com>
Date: Thu, 23 Sep 2021 15:28:33 +0200
Subject: [PATCH] Added QMCkl to QMC=CHEM as a submodule.

---
 .gitmodules               | 3 +++
 scripts/compile_irpf90.sh | 6 +++---
 scripts/compile_src.sh    | 7 +++----
 src/QMCkl/qmckl_f.f90     | 1 +
 src/qmckl                 | 1 +
 src/simulation.irp.f      | 1 +
 6 files changed, 12 insertions(+), 7 deletions(-)
 create mode 100644 .gitmodules
 create mode 120000 src/QMCkl/qmckl_f.f90
 create mode 160000 src/qmckl

diff --git a/.gitmodules b/.gitmodules
new file mode 100644
index 0000000..0a7657b
--- /dev/null
+++ b/.gitmodules
@@ -0,0 +1,3 @@
+[submodule "src/qmckl"]
+	path = src/qmckl
+	url = https://github.com/TREX-CoE/qmckl
diff --git a/scripts/compile_irpf90.sh b/scripts/compile_irpf90.sh
index 2bee7bb..70de4c7 100755
--- a/scripts/compile_irpf90.sh
+++ b/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
diff --git a/scripts/compile_src.sh b/scripts/compile_src.sh
index f9f9cab..15181e6 100755
--- a/scripts/compile_src.sh
+++ b/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 ]]
diff --git a/src/QMCkl/qmckl_f.f90 b/src/QMCkl/qmckl_f.f90
new file mode 120000
index 0000000..d8ba940
--- /dev/null
+++ b/src/QMCkl/qmckl_f.f90
@@ -0,0 +1 @@
+../../share/qmckl/fortran/qmckl_f.f90
\ No newline at end of file
diff --git a/src/qmckl b/src/qmckl
new file mode 160000
index 0000000..de03986
--- /dev/null
+++ b/src/qmckl
@@ -0,0 +1 @@
+Subproject commit de03986bda2be207377875ed5a0852cb721b86b9
diff --git a/src/simulation.irp.f b/src/simulation.irp.f
index 88b74d0..93e4a21 100644
--- a/src/simulation.irp.f
+++ b/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