# * # *_________________________________________________________________________* # * Fortran Library for Reactive Force Field * # * DESCRIPTION: SEE READ-ME * # * FILE NAME: Makefile * # * CONTRIBUTING AUTHORS: Hansohl Cho(MIT), Aidan Thompson(SNL) * # * and Greg Wagner(SNL) * # * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov * # *_________________________________________________________________________*/ # To compile and link LAMMPS to the reax library generated by this Makefile, # you need to first install the reax package (make yes-reax), after which the # file Makefile.package should look something like: # PKG_INC = -I../../lib/reax # PKG_PATH = -L../../lib/reax # PKG_LIB = -lreax # PKG_SYSPATH = $(reax_SYSPATH) # PKG_SYSLIB = $(reax_SYSLIB) # The reax_SYSPATH and reax_SYSLIB variables contain compiler options # giving the paths of needed FORTRAN libraries, and their names, respectively # # For Makefile.gfortran, try # # reax_SYSPATH = -L/usr/lib # reax_SYSLIB = -lgfortran SHELL = /bin/sh # ------ FILES ------ SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F HEADERFILES = reax_defs.h *.blk # ------ DEFINITIONS ------ LIB = libreax.a OBJ = $(SRC:.F=.o) # ------ SETTINGS ------ F90 = gfortran #F90FLAGS = -O3 -Wall -march=native -mpc64 -ffast-math -funroll-loops -fno-second-underscore F90FLAGS = -O3 -Wall -ffast-math -funroll-loops -fno-second-underscore ARCHIVE = ar ARCHFLAG = -rc USRLIB = SYSLIB = # ------ MAKE PROCEDURE ------ lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) # ------ COMPILE RULES ------ %.o:%.F $(HEADERFILES) $(F90) $(F90FLAGS) -c $< # ------ CLEAN ------ clean: -rm *.o $(LIB)