Makefile.rules

# H0 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
# H0 X
# H0 X   libAtoms+QUIP: atomistic simulation library
# H0 X
# H0 X   Portions of this code were written by
# H0 X     Albert Bartok-Partay, Silvia Cereda, Gabor Csanyi, James Kermode,
# H0 X     Ivan Solt, Wojciech Szlachta, Csilla Varnai, Steven Winfield.
# H0 X
# H0 X   Copyright 2006-2010.
# H0 X
# H0 X   These portions of the source code are released under the GNU General
# H0 X   Public License, version 2, http://www.gnu.org/copyleft/gpl.html
# H0 X
# H0 X   If you would like to license the source code under different terms,
# H0 X   please contact Gabor Csanyi, gabor@csanyi.net
# H0 X
# H0 X   Portions of this code were written by Noam Bernstein as part of
# H0 X   his employment for the U.S. Government, and are not subject
# H0 X   to copyright in the USA.
# H0 X
# H0 X
# H0 X   When using this software, please cite the following reference:
# H0 X
# H0 X   http://www.libatoms.org
# H0 X
# H0 X  Additional contributions by
# H0 X    Alessio Comisso, Chiara Gattinoni, and Gianpietro Moras
# H0 X
# H0 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX

.SUFFIXES: .c .h .f .f95 .f90 .fpp

FOX_LIBS = -lFoX_sax -lFoX_wxml -lFoX_utils -lFoX_common -lFoX_fsys
FX_LIB = -lfx
MDCORE_LIBS = -lmdcore
GIT_VERSION := -D'GIT_VERSION="$(shell ${QUIP_ROOT}/bin/gitversion)"'
ifeq (${HAVE_GAP},1)
  GAP_VERSION := -D'GAP_VERSION=$(shell ${QUIP_ROOT}/src/GAP/gapversion)'
endif

ifndef AR
	AR = ar
endif
RANLIB = ranlib
NM = nm --print-file-name --extern-only --defined-only --no-sort --portability

ifeq (${COPTIM},)
  COPTIM=${OPTIM}
endif
ifeq (${CDEBUG},)
  CDEBUG=${DEBUG}
endif

DEFINES += ${GIT_VERSION} ${GAP_VERSION} -D'QUIP_ARCH="${QUIP_ARCH}"' -D'SIZEOF_FORTRAN_T=${SIZEOF_FORTRAN_T}'
F95FLAGS += ${INCLUDES} ${OPTIM} ${DEBUG} ${DEFINES} ${CUSTOM_F95FLAGS}
F77FLAGS += ${INCLUDES} ${OPTIM} ${DEBUG} ${DEFINES} ${CUSTOM_F77FLAGS}
CPLUSPLUSFLAGS += ${INCLUDES} ${COPTIM} ${CDEBUG} ${DEFINES} ${CUSTOM_CPLUSPLUSFLAGS}
CFLAGS += ${INCLUDES} ${COPTIM} ${CDEBUG} ${DEFINES} ${CUSTOM_CFLAGS}

SYSLIBS += -L${FOX_LIBDIR} ${FOX_LIBS} 
INCLUDES += -I${QUIP_ROOT}/src/libAtoms -I${FOX_INCDIR}
QUIPPY_LIBS=

ifeq (${HAVE_NETCDF4},1)
  SYSLIBS += ${NETCDF4_LIBS}
  INCLUDES += ${NETCDF4_FLAGS}
  DEFINES  += -DHAVE_NETCDF4
# for LAMMPS
  NETCDF_SYSLIBS = ${NETCDF4_LIBS}
endif

ifeq (${HAVE_MDCORE},1)
  SYSLIBS += -L${MDCORE_LIBDIR} ${MDCORE_LIBS}
  INCLUDES += -I${MDCORE_INCDIR}
  DEFINES  += -DHAVE_MDCORE
endif
ifeq (${HAVE_ASAP},1)
  SYSLIBS += -L${ASAP_LIBDIR} -lasap
  INCLUDES += -I${ASAP_LIBDIR}
  DEFINES += -DHAVE_ASAP
endif
ifeq (${HAVE_KIM},1)
  SYSLIBS += `kim-api-v1-build-config --ldflags` `kim-api-v1-build-config --ldlibs` 
  INCLUDES += `kim-api-v1-build-config --includes`
  DEFINES += -DHAVE_KIM
  ifeq (${KIM_NO_AUTOGENERATE_TEST_KIM},1)
    DEFINES += -DKIM_NO_AUTOGENERATE_TEST_KIM
  endif
endif
ifeq (${HAVE_FX},1)
  DEFINES += -DHAVE_FX
  SYSLIBS += ${FX_LIB}
endif
ifeq (${HAVE_GAP},1)
  DEFINES += -DHAVE_GAP
  GAP_LIB += -lgap
  GAP_LIBFILE += libgap.a
  GAPFIT_LIB += -lgapfit
  GAPFIT_LIBFILE += libgapfit.a
endif
ifeq (${HAVE_TURBOGAP},1)
  DEFINES += -DHAVE_TURBOGAP
  INCLUDES += $(addprefix -I,${TURBOGAP_DIR}/include)
  SYSLIBS += $(addprefix -L,${TURBOGAP_DIR}/lib)
  SYSLIBS += -lturbogap
  QUIPPY_LIBS += $(addprefix -L,${TURBOGAP_DIR}/lib)
  QUIPPY_LIBS += -lturbogap
endif
ifeq (${HAVE_TB},1)
  DEFINES += -DHAVE_TB
endif
ifeq (${HAVE_PRECON},1)
  DEFINES += -DHAVE_PRECON
endif
ifeq (${HAVE_QP_TEACH},1)
  DEFINES += -DHAVE_QP -DHAVE_QP_TEACH
endif
ifeq (${HAVE_QP_PREDICT},1)
  DEFINES += -DHAVE_QP -DHAVE_QP_PREDICT
endif
ifeq (${HAVE_QR},1)
  DEFINES += -DHAVE_QR
endif
ifeq (${HAVE_LOTF},1)
  DEFINES += -DHAVE_LOTF
endif
ifeq (${HAVE_CP2K},1)
  DEFINES += -DHAVE_CP2K
endif
ifeq (${HAVE_ONIOM},1)
  DEFINES += -DHAVE_ONIOM
endif
ifeq (${HAVE_LOCAL_E_MIX},1)
  DEFINES += -DHAVE_LOCAL_E_MIX
endif
ifeq (${HAVE_CGAL},1)
  DEFINES += -DHAVE_CGAL
  CUSTOM_CPLUSPLUSFLAGS += -frounding-math -DCGAL_FPU_HAS_EXCESS_PRECISION
  INCLUDES += $(addprefix -I,${CGAL_INCDIR})
  SYSLIBS += $(addprefix -L,${CGAL_LIBDIR})
  SYSLIBS += -lCGAL -lgmpxx -lmpfr -lgmp -lboost_thread-mt -lstdc++ #/usr/lib/libstdc++.6.dylib
endif
ifeq (${HAVE_THIRDPARTY},1)
  DEFINES += -DHAVE_THIRDPARTY
endif
ifeq (${HAVE_METIS},1)
  DEFINES += -DHAVE_METIS
  SYSLIBS += $(addprefix -L,${METIS_LIBDIR})
  SYSLIBS += -lmetis
endif
ifeq (${HAVE_SCME},1)
  DEFINES += -DHAVE_SCME
  SYSLIBS += -lscme -lstdc++
endif
ifeq (${HAVE_MTP},1)
  DEFINES += -DHAVE_MTP
  SYSLIBS += -lmtp -lstdc++
endif
ifeq (${HAVE_MBD},1)
  DEFINES += -DHAVE_MBD
  SYSLIBS += -lmbd
endif
ifeq (${HAVE_TTM_NF},1)
  DEFINES += -DHAVE_TTM_NF
  SYSLIBS += -lttm_nf -lstdc++
endif
ifeq (${HAVE_CH4},1)
  DEFINES += -DHAVE_CH4
  SYSLIBS += -lch4
endif
ifeq (${HAVE_LMTO_TBE},1)
  DEFINES += -DHAVE_LMTO_TBE
  INCLUDES += $(addprefix -I,${LMTO_TBE_LIBDIR}/mods)
  SYSLIBS += -Wl,--start-group ${LMTO_TBE_LIBDIR}/tb/libtb.a ${LMTO_TBE_LIBDIR}/subs/liblm.a
  SYSLIBS += ${LMTO_TBE_LIBDIR}/slatsm/libsl.a ${LMTO_TBE_LIBDIR}/v7input/libv7inp.a -Wl,--end-group
  SYSLIBS += -lxcf90 -lxc
endif


SYSLIBS += ${MATH_LINKOPTS} ${EXTRA_LINKOPTS}

LINKOPTS += ${OPTIM} ${DEBUG} ${SYSLIBS} ${CUSTOM_LINKOPTS}

.f.o:
	${F77}  ${F77FLAGS} -c $< -o $@

.c.o:	
	${CC} ${CFLAGS} -c $<  -o $@

.cpp.o:	
	${CPLUSPLUS} ${CPLUSPLUSFLAGS} -c $<  -o $@

.f95.o:
	${F95}  ${F95FLAGS} -c ${F95_PRE_FILENAME_FLAG} $< -o $@

.f90.o:
	${F95}  ${F95FLAGS} -c ${F95_PRE_FILENAME_FLAG} $< -o $@

FPP_PRE_TARGET_STRING ?= >

.f95.fpp:
	${FPP}  ${F95FLAGS} ${F95_PRE_FILENAME_FLAG} $< ${FPP_PRE_TARGET_STRING} $@

%.o : %.mod

-include Makefiles/Makefile.rules.${QUIP_ARCH}