From 65fc312b3bd77411cc1db7e0b21c5acc83d1c760 Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi <p.giannozzi@gmail.com>
Date: Fri, 4 Feb 2022 17:30:29 +0100
Subject: [PATCH] Compilation with make for MBD simplified Not sure what to do
 with the scalapack make (we do not use it)

---
 archive/README                                |   5 --
 .../libmbd-0.10.3-non-cmake-makefiles.tar.gz  | Bin 1006 -> 0 bytes
 external/mbd.make                             |  49 ++++++++++++++++++
 install/extlibs_makefile                      |  11 ++--
 4 files changed, 54 insertions(+), 11 deletions(-)
 delete mode 100644 archive/README
 delete mode 100644 archive/libmbd-0.10.3-non-cmake-makefiles.tar.gz
 create mode 100644 external/mbd.make

diff --git a/archive/README b/archive/README
deleted file mode 100644
index b511785b0..000000000
--- a/archive/README
+++ /dev/null
@@ -1,5 +0,0 @@
-Archive contains the tarballs of external libraries and codes used by "make"
-to build QE. Note that "CMake" stores such packages in external/ instead.
-In the future, these files should be removed or replaced as follows:
-
-- libmbd-0.10.3-non-cmake-makefiles.tar.gz (patches for libmbd-0.10.3.tar.gz to add non-cmake support)
diff --git a/archive/libmbd-0.10.3-non-cmake-makefiles.tar.gz b/archive/libmbd-0.10.3-non-cmake-makefiles.tar.gz
deleted file mode 100644
index a24ae9f9eb8399f2a15591a99f6b8b65db6438a1..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 1006
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diff --git a/external/mbd.make b/external/mbd.make
new file mode 100644
index 000000000..600b659f9
--- /dev/null
+++ b/external/mbd.make
@@ -0,0 +1,49 @@
+.SUFFIXES : .o .f90 .F90
+
+%.o: %.f90
+	$(FXX) $(FXXOPT) -c $<
+%.o: %.F90
+	$(FXX) $(FXXOPT)  -c $<
+
+OBJS := mbd.o mbd_c_api.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_vdw_param.o
+ifeq ($(LIBMBD_C_API),0)
+OBJS := $(filter-out mbd_c_api.o,$(OBJS))
+endif
+
+libmbd.a: $(OBJS)
+	ar -r $@ $^
+
+
+mbd.o: mbd_constants.o mbd_damping.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_methods.o mbd_ts.o mbd_utils.o mbd_vdw_param.o fallback_version
+mbd_c_api.o: mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_dipole.o mbd_geom.o mbd_gradients.o mbd_matrix.o mbd_methods.o mbd_ts.o mbd_utils.o
+mbd_constants.o: 
+mbd_coulomb.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_geom.o mbd_lapack.o mbd_linalg.o mbd_matrix.o
+mbd_damping.o: mbd_constants.o mbd_gradients.o mbd_utils.o
+mbd_dipole.o: mbd_constants.o mbd_damping.o mbd_geom.o mbd_gradients.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_utils.o
+mbd_formulas.o: mbd_constants.o mbd_gradients.o mbd_utils.o
+mbd_geom.o: mbd_constants.o mbd_lapack.o mbd_utils.o mbd_vdw_param.o
+mbd_gradients.o: mbd_constants.o
+mbd_hamiltonian.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_geom.o mbd_gradients.o mbd_matrix.o mbd_utils.o
+mbd_lapack.o: mbd_constants.o mbd_utils.o
+mbd_linalg.o: mbd_constants.o
+mbd_matrix.o: mbd_constants.o mbd_lapack.o mbd_utils.o
+mbd_methods.o: mbd_constants.o mbd_damping.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_rpa.o mbd_scs.o mbd_utils.o
+mbd_rpa.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_matrix.o mbd_utils.o
+mbd_scs.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_matrix.o mbd_utils.o
+mbd_ts.o: mbd_constants.o mbd_damping.o mbd_geom.o mbd_utils.o
+mbd_utils.o: mbd_constants.o mbd_gradients.o
+mbd_vdw_param.o: mbd_constants.o mbd_utils.o
+
+fallback_version:
+	echo '#define MBD_VERSION_MAJOR 0'  > version.h
+	echo '#define MBD_VERSION_MINOR 10'>> version.h
+	echo '#define MBD_VERSION_PATCH 0' >> version.h
+	echo '#define MBD_VERSION "0.10.0"' >> version.h
+
+.PHONY: clean distclean
+clean:
+	rm -f *.o
+
+distclean: clean
+	rm -f *.mod
+	rm -f $(LIB)
diff --git a/install/extlibs_makefile b/install/extlibs_makefile
index fd23462a5..bc9fc94a1 100644
--- a/install/extlibs_makefile
+++ b/install/extlibs_makefile
@@ -99,20 +99,19 @@ libmbd:
 	$(call update_submodule,external,mbd)
 	if test ! -d ../MBD; then \
         mkdir ../MBD; \
-        cd $(TOPDIR)/external/mbd; \
-        tar -xzvf $(TOPDIR)/archive/libmbd-0.10.3-non-cmake-makefiles.tar.gz --strip-components=1; \
-	cd src; export FXX=$(F90); export FXXOPT="$(F90FLAGS)"; \
-	cp serial.make Makefile; $(MAKE) ; cp *.mod *.a $(TOPDIR)/MBD; cd ../../.. ;fi
+        cd $(TOPDIR)/external/mbd/src; \
+	export FXX=$(F90); export FXXOPT="$(F90FLAGS)"; \
+	$(MAKE) -f ../../mbd.make; cp *.mod *.a $(TOPDIR)/MBD; cd ../../.. ;fi
 
 libmbd_clean:
 	if test -d ../MBD; then (rm -R -f ../MBD); fi
 	if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
-          (if test -f ./serial.make; then $(MAKE) clean; fi); fi
+          $(MAKE) -f ../../mbd.make clean; fi
 
 libmbd_distclean:
 	if test -d ../MBD; then (rm -R -f ../MBD); fi
 	if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
-          (if test -f ./serial.make; then $(MAKE) distclean; fi); fi
+          $(MAKE) -f ../../mbd.make distclean; fi
 
 ###################################
 # cleaning