/
Makefile.rules
201 lines (181 loc) · 5.4 KB
/
Makefile.rules
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# 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 (${HAVE_TB},1)
DEFINES += -DHAVE_TB
endif
ifeq (${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_SCALAPACK},1)
DEFINES += -DSCALAPACK
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}