mirror of https://gitlab.com/QEF/q-e.git
Merge branch 'nosolver' into 'develop'
Compilation with make for MBD simplified See merge request QEF/q-e!1751
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commit
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Archive contains the tarballs of external libraries and codes used by "make"
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to build QE. Note that "CMake" stores such packages in external/ instead.
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In the future, these files should be removed or replaced as follows:
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- libmbd-0.10.3-non-cmake-makefiles.tar.gz (patches for libmbd-0.10.3.tar.gz to add non-cmake support)
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.SUFFIXES : .o .f90 .F90
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%.o: %.f90
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$(FXX) $(FXXOPT) -c $<
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%.o: %.F90
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$(FXX) $(FXXOPT) -c $<
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OBJS := mbd.o mbd_c_api.o mbd_constants.o mbd_coulomb.o mbd_damping.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_gradients.o mbd_hamiltonian.o mbd_lapack.o mbd_linalg.o mbd_matrix.o mbd_methods.o mbd_rpa.o mbd_scs.o mbd_ts.o mbd_utils.o mbd_vdw_param.o
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ifeq ($(LIBMBD_C_API),0)
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OBJS := $(filter-out mbd_c_api.o,$(OBJS))
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endif
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libmbd.a: $(OBJS)
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ar -r $@ $^
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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
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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
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mbd_constants.o:
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mbd_coulomb.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_geom.o mbd_lapack.o mbd_linalg.o mbd_matrix.o
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mbd_damping.o: mbd_constants.o mbd_gradients.o mbd_utils.o
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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
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mbd_formulas.o: mbd_constants.o mbd_gradients.o mbd_utils.o
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mbd_geom.o: mbd_constants.o mbd_lapack.o mbd_utils.o mbd_vdw_param.o
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mbd_gradients.o: mbd_constants.o
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mbd_hamiltonian.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_geom.o mbd_gradients.o mbd_matrix.o mbd_utils.o
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mbd_lapack.o: mbd_constants.o mbd_utils.o
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mbd_linalg.o: mbd_constants.o
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mbd_matrix.o: mbd_constants.o mbd_lapack.o mbd_utils.o
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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
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mbd_rpa.o: mbd_constants.o mbd_damping.o mbd_dipole.o mbd_formulas.o mbd_geom.o mbd_matrix.o mbd_utils.o
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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
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mbd_ts.o: mbd_constants.o mbd_damping.o mbd_geom.o mbd_utils.o
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mbd_utils.o: mbd_constants.o mbd_gradients.o
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mbd_vdw_param.o: mbd_constants.o mbd_utils.o
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fallback_version:
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echo '#define MBD_VERSION_MAJOR 0' > version.h
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echo '#define MBD_VERSION_MINOR 10'>> version.h
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echo '#define MBD_VERSION_PATCH 0' >> version.h
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echo '#define MBD_VERSION "0.10.0"' >> version.h
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.PHONY: clean distclean
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clean:
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rm -f *.o
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distclean: clean
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rm -f *.mod
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rm -f $(LIB)
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@ -4347,8 +4347,6 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
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then
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then
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# CUDA toolkit v < 10.1: cusolver not available
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# CUDA toolkit v < 10.1: cusolver not available
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as_fn_error $? "Unsupported CUDA Toolkit, too old" "$LINENO" 5
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as_fn_error $? "Unsupported CUDA Toolkit, too old" "$LINENO" 5
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else
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try_dflags="$try_dflags -D__USE_CUSOLVER"
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fi
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fi
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# -----------------------------------------
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# -----------------------------------------
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# C flags
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# C flags
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@ -99,20 +99,19 @@ libmbd:
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$(call update_submodule,external,mbd)
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$(call update_submodule,external,mbd)
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if test ! -d ../MBD; then \
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if test ! -d ../MBD; then \
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mkdir ../MBD; \
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mkdir ../MBD; \
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cd $(TOPDIR)/external/mbd; \
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cd $(TOPDIR)/external/mbd/src; \
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tar -xzvf $(TOPDIR)/archive/libmbd-0.10.3-non-cmake-makefiles.tar.gz --strip-components=1; \
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export FXX=$(F90); export FXXOPT="$(F90FLAGS)"; \
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cd src; export FXX=$(F90); export FXXOPT="$(F90FLAGS)"; \
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$(MAKE) -f ../../mbd.make; cp *.mod *.a $(TOPDIR)/MBD; cd ../../.. ;fi
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cp serial.make Makefile; $(MAKE) ; cp *.mod *.a $(TOPDIR)/MBD; cd ../../.. ;fi
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libmbd_clean:
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libmbd_clean:
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if test -d ../MBD; then (rm -R -f ../MBD); fi
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if test -d ../MBD; then (rm -R -f ../MBD); fi
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if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
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if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
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(if test -f ./serial.make; then $(MAKE) clean; fi); fi
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$(MAKE) -f ../../mbd.make clean; fi
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libmbd_distclean:
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libmbd_distclean:
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if test -d ../MBD; then (rm -R -f ../MBD); fi
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if test -d ../MBD; then (rm -R -f ../MBD); fi
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if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
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if test -d $(TOPDIR)/external/mbd/src; then cd $(TOPDIR)/external/mbd/src; \
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(if test -f ./serial.make; then $(MAKE) distclean; fi); fi
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$(MAKE) -f ../../mbd.make distclean; fi
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###################################
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###################################
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# cleaning
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# cleaning
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then
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then
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# CUDA toolkit v < 10.1: cusolver not available
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# CUDA toolkit v < 10.1: cusolver not available
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AC_MSG_ERROR([Unsupported CUDA Toolkit, too old])
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AC_MSG_ERROR([Unsupported CUDA Toolkit, too old])
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else
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try_dflags="$try_dflags -D__USE_CUSOLVER"
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fi
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fi
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# -----------------------------------------
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# -----------------------------------------
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# C flags
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# C flags
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