Makefile.lammps
4041db8d1a74master

Makefile.lammps
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			# Settings that the LAMMPS build will import when this package library is used

			# try to guess settings assuming there is a configured QUIP git checkout inside the lib/quip directory
			QUIPDIR=$(abspath ../../lib/quip/QUIP)
			ifeq (${QUIP_ROOT},)
			QUIP_ROOT=$(shell test -d $(QUIPDIR) && echo $(QUIPDIR))
			ifeq (${QUIP_ARCH},)
			QUIP_ARCH=$(notdir $(wildcard $(QUIP_ROOT)/build/*))
			endif
			else
			# uncomment and set manually or set the corresponding environment variables
			# QUIP_ROOT=
			# QUIP_ARCH=
			endif

			ifeq (${QUIP_ROOT},)
			$(error Environment or make variable QUIP_ROOT must be set.)
			endif
			ifeq (${QUIP_ARCH},)
			$(error Environment or make variable QUIP_ARCH must be set.)
			endif

			F95=$(shell egrep 'F95[ ]=' ${QUIP_ROOT}/arch/Makefile.${QUIP_ARCH} \| sed 's/.F95[ ]=[ ]//')
			include ${QUIP_ROOT}/build/${QUIP_ARCH}/Makefile.inc
			include ${QUIP_ROOT}/Makefile.rules

			quip_SYSLIB = -lquip
			quip_SYSLIB += ${NETCDF_SYSLIBS}
			quip_SYSLIB += ${MATH_LINKOPTS}

			ifeq (${F95},gfortran)
			quip_SYSLIB += -lgfortran
			else ifeq (${F95},ifort)
			quip_SYSLIB += -lifcore -lifport
			else
			$(error fortran compiler >>${F95}<< not recognised. Edit lib/quip/Makefile.lammps to specify the fortran library your linker should link to)
			endif

			quip_SYSPATH = -L${QUIP_ROOT}/build/${QUIP_ARCH}