diff --git a/lib/colvars/Makefile.32-bit b/lib/colvars/Makefile.32-bit new file mode 100644 index 0000000000..e187da0d40 --- /dev/null +++ b/lib/colvars/Makefile.32-bit @@ -0,0 +1,103 @@ +# library build -*- makefile -*- for colvars module + +# ------ SETTINGS ------ + +CXX = g++ -m32 +CXXFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ + -fno-rtti -fno-exceptions -finline-functions \ + -ffast-math -funroll-loops -fstrict-aliasing \ + -Wall -W -Wno-uninitialized +ARCHIVE = ar +ARCHFLAG = -rscv +SHELL = /bin/sh + +# ------ DEFINITIONS ------ + +SRC = colvaratoms.cpp colvarbias_abf.cpp colvarbias.cpp colvarbias_meta.cpp \ + colvar.cpp colvarcomp_angles.cpp colvarcomp.cpp colvarcomp_coordnums.cpp \ + colvarcomp_distances.cpp colvarcomp_protein.cpp colvarcomp_rotations.cpp \ + colvargrid.cpp colvarmodule.cpp colvarparse.cpp colvarvalue.cpp + +DIR = Obj_32-bit/ +LIB = $(DIR)libcolvars.a +OBJ = $(SRC:%.cpp=$(DIR)%.o) +EXE = #colvars_standalone + +# ------ MAKE PROCEDURE ------ + +default: $(DIR) $(LIB) $(EXE) + +$(DIR): + mkdir $(DIR) + +$(LIB): $(DIR) $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) + +$(DIR)colvars_standalone: colvars_main.o colvarproxy_standalone.o $(LIB) + $(CXX) -o $@ $(CXXFLAGS) $^ + +# ------ MAKE FLAGS ------ + +.SUFFIXES: +.SUFFIXES: .cpp .o + +.PHONY: default clean + +# ------ COMPILE RULES ------ + +$(DIR)%.o: %.cpp + $(CXX) $(CXXFLAGS) -c $< -o $@ + +# ------ DEPENDENCIES ------ +# +$(DIR)colvars_main.o: colvars_main.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarproxy_standalone.h colvaratoms.h colvarparse.h colvarvalue.h +$(DIR)colvarproxy_standalone.o: colvarproxy_standalone.cpp colvarmodule.h \ + colvartypes.h colvarproxy.h colvaratoms.h colvarparse.h colvarvalue.h \ + colvarproxy_standalone.h +$(DIR)colvaratoms.o: colvaratoms.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarparse.h colvarvalue.h colvaratoms.h +$(DIR)colvarbias_abf.o: colvarbias_abf.cpp colvarmodule.h colvartypes.h \ + colvarproxy.h colvar.h colvarvalue.h colvarparse.h colvarbias_abf.h \ + colvarbias.h colvargrid.h +$(DIR)colvarbias.o: colvarbias.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h colvarbias.h colvar.h colvarparse.h +$(DIR)colvarbias_meta.o: colvarbias_meta.cpp colvar.h colvarmodule.h \ + colvartypes.h colvarproxy.h colvarvalue.h colvarparse.h \ + colvarbias_meta.h colvarbias.h colvargrid.h +$(DIR)colvar.o: colvar.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h colvarparse.h colvar.h colvarcomp.h colvaratoms.h +$(DIR)colvarcomp_angles.o: colvarcomp_angles.cpp colvarmodule.h colvartypes.h \ + colvarproxy.h colvar.h colvarvalue.h colvarparse.h colvarcomp.h \ + colvaratoms.h +$(DIR)colvarcomp.o: colvarcomp.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h colvar.h colvarparse.h colvarcomp.h colvaratoms.h +$(DIR)colvarcomp_coordnums.o: colvarcomp_coordnums.cpp colvarmodule.h \ + colvartypes.h colvarproxy.h colvarparse.h colvarvalue.h colvaratoms.h \ + colvar.h colvarcomp.h +$(DIR)colvarcomp_distances.o: colvarcomp_distances.cpp colvarmodule.h \ + colvartypes.h colvarproxy.h colvarvalue.h colvarparse.h colvar.h \ + colvarcomp.h colvaratoms.h +$(DIR)colvarcomp_protein.o: colvarcomp_protein.cpp colvarmodule.h colvartypes.h \ + colvarproxy.h colvarvalue.h colvarparse.h colvar.h colvarcomp.h \ + colvaratoms.h +$(DIR)colvarcomp_rotations.o: colvarcomp_rotations.cpp colvarmodule.h \ + colvartypes.h colvarproxy.h colvarvalue.h colvarparse.h colvar.h \ + colvarcomp.h colvaratoms.h +$(DIR)colvargrid.o: colvargrid.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h colvarparse.h colvar.h colvarcomp.h colvaratoms.h \ + colvargrid.h +$(DIR)colvarmodule.o: colvarmodule.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarparse.h colvarvalue.h colvar.h colvarbias.h colvarbias_meta.h \ + colvargrid.h colvarbias_abf.h +$(DIR)colvarparse.o: colvarparse.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h colvarparse.h +$(DIR)colvarvalue.o: colvarvalue.cpp colvarmodule.h colvartypes.h colvarproxy.h \ + colvarvalue.h + +# ------ CLEAN ------ + +clean: + -rm $(DIR)*.o *~ $(LIB) + -rmdir $(DIR) + diff --git a/lib/colvars/Makefile.lammps b/lib/colvars/Makefile.lammps new file mode 100644 index 0000000000..e69de29bb2 diff --git a/lib/meam/Makefile.32-bit b/lib/meam/Makefile.32-bit new file mode 100644 index 0000000000..0e1e49857b --- /dev/null +++ b/lib/meam/Makefile.32-bit @@ -0,0 +1,66 @@ +# * -*- makefile -*- +# *_________________________________________________________________________* +# * MEAM: MODEFIED EMBEDDED ATOM METHOD * +# * DESCRIPTION: SEE READ-ME * +# * FILE NAME: Makefile * +# * AUTHORS: Greg Wagner, Sandia National Laboratories * +# * CONTACT: gjwagne@sandia.gov * +# *_________________________________________________________________________*/ + +# To compile and link LAMMPS to the reax library generated by this Makefile, +# try appending the following definitions to the standard definitions in +# whatever LAMMPS Makefile your are using. +# LINKFLAGS = -L../../lib/meam +# USRLIB = -lmeam -lgfortran + +SHELL = /bin/sh + +# ------ FILES ------ + +SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F + +FILES = $(SRC) Makefile + +# ------ DEFINITIONS ------ + +DIR = Obj_32-bit/ +LIB = $(DIR)libmeam.a +OBJ = $(SRC:%.F=$(DIR)%.o) + +# ------ SETTINGS ------ + +F90 = gfortran -m32 +F90FLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ + -ffast-math -funroll-loops -fstrict-aliasing -J$(DIR) \ + -Wall -W -Wno-uninitialized -fno-second-underscore +#F90FLAGS = -O +ARCHIVE = ar +ARCHFLAG = -rcs +LINK = g++ +LINKFLAGS = -O +USRLIB = +SYSLIB = + +# ------ MAKE PROCEDURE ------ + +default: $(DIR) $(LIB) + +$(DIR): + -mkdir $(DIR) + +$(LIB): $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) + +# ------ COMPILE RULES ------ + +$(DIR)%.o:%.F + $(F90) $(F90FLAGS) -c $< -o $@ + +# ------ CLEAN ------ + +clean: + -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB) + -rmdir $(DIR) + +tar: + -tar -cvf ../MEAM.tar $(FILES) diff --git a/lib/poems/Makefile.32-bit b/lib/poems/Makefile.32-bit new file mode 100644 index 0000000000..035c469b08 --- /dev/null +++ b/lib/poems/Makefile.32-bit @@ -0,0 +1,113 @@ +# * +# *_________________________________________________________________________* +# * POEMS: PARALLELIZABLE OPEN SOURCE EFFICIENT MULTIBODY SOFTWARE * +# * DESCRIPTION: SEE READ-ME * +# * FILE NAME: Makefile * +# * AUTHORS: See Author List * +# * GRANTS: See Grants List * +# * COPYRIGHT: (C) 2005 by Authors as listed in Author's List * +# * LICENSE: Please see License Agreement * +# * DOWNLOAD: Free at www.rpi.edu/~anderk5 * +# * ADMINISTRATOR: Prof. Kurt Anderson * +# * Computational Dynamics Lab * +# * Rensselaer Polytechnic Institute * +# * 110 8th St. Troy NY 12180 * +# * CONTACT: anderk5@rpi.edu * +# *_________________________________________________________________________*/ + +SHELL = /bin/sh + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.empty + +# ------ FILES ------ + +SRC_MAIN = workspace.cpp system.cpp poemsobject.cpp +INC_MAIN = workspace.h system.h poemsobject.h + +SRC_BODY = body.cpp rigidbody.cpp particle.cpp inertialframe.cpp +INC_BODY = bodies.h body.h rigidbody.h particle.h inertialframe.h + + +SRC_JOINT = joint.cpp revolutejoint.cpp prismaticjoint.cpp sphericaljoint.cpp \ + freebodyjoint.cpp body23joint.cpp mixedjoint.cpp +INC_JOINT = joints.h joint.h revolutejoint.h prismaticjoint.h sphericaljoint.h \ + freebodyjoint.h body23joint.h mixedjoint.h + +SRC_POINT = point.cpp fixedpoint.cpp +INC_POINT = points.h point.h fixedpoint.h + +SRC_SOLVE = solver.cpp +INC_SOLVE = solver.h + +SRC_ORDERN = onsolver.cpp onfunctions.cpp onbody.cpp +INC_ORDERN = onsolver.h onfunctions.h onbody.h + +SRC_MAT = virtualmatrix.cpp matrix.cpp matrixfun.cpp mat3x3.cpp virtualcolmatrix.cpp \ + colmatrix.cpp vect3.cpp virtualrowmatrix.cpp rowmatrix.cpp mat6x6.cpp vect6.cpp \ + fastmatrixops.cpp colmatmap.cpp eulerparameters.cpp vect4.cpp norm.cpp mat4x4.cpp \ + +INC_MAT = matrices.h virtualmatrix.h matrix.h matrixfun.h mat3x3.h virtualcolmatrix.h \ + colmatrix.h vect3.h virtualrowmatrix.h rowmatrix.h mat6x6.h vect6.h \ + fastmatrixops.h colmatmap.h eulerparameters.h vect4.h norm.h mat4x4.h + +SRC_MISC = poemstreenode.cpp +INC_MISC = poemslist.h poemstreenode.h poemstree.h poemsnodelib.h SystemProcessor.h defines.h POEMSChain.h + +SRC = $(SRC_MAIN) $(SRC_BODY) $(SRC_JOINT) $(SRC_POINT) $(SRC_SOLVE) $(SRC_ORDERN) $(SRC_MAT) $(SRC_MISC) +INC = $(INC_MAIN) $(INC_BODY) $(INC_JOINT) $(INC_POINT) $(INC_SOLVE) $(INC_ORDERN) $(INC_MAT) $(INC_MISC) + +FILES = $(SRC) $(INC) Makefile Authors_List.txt Grants_List.txt POEMS_License.txt README Copyright_Notice + +# ------ DEFINITIONS ------ + +DIR = Obj_32-bit/ +LIB = $(DIR)libpoems.a +OBJ = $(SRC:%.cpp=$(DIR)%.o) + +# ------ SETTINGS ------ + +CC = g++ -m32 +CCFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ + -ffast-math -funroll-loops -finline-functions -fno-rtti \ + -fno-exceptions -fstrict-aliasing \ + -Wall -W -Wno-uninitialized +ARCHIVE = ar +ARCHFLAG = -rcs +DEPFLAGS = -M +LINK = g++ -m32 +LINKFLAGS = -O +USRLIB = +SYSLIB = + +# ------ MAKE PROCEDURE ------ + +default: $(DIR) $(LIB) + +$(DIR): + -mkdir $(DIR) + +$(LIB): $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) + @cp $(EXTRAMAKE) Makefile.lammps + +# ------ COMPILE RULES ------ + +$(DIR)%.o:%.cpp + $(CC) $(CCFLAGS) -c $< -o $@ + +$(DIR)%.d:%.cpp + $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + +# ------ DEPENDENCIES ------ + +DEPENDS = $(OBJ:.o=.d) + +# ------ CLEAN ------ + +clean: + -rm $(DIR)*.o $(DIR)*.d *~ $(LIB) + +tar: + -tar -cvf ../POEMS.tar $(FILES) diff --git a/lib/poems/Makefile.lammps b/lib/poems/Makefile.lammps new file mode 100644 index 0000000000..3d33366081 --- /dev/null +++ b/lib/poems/Makefile.lammps @@ -0,0 +1,5 @@ +# Settings that the LAMMPS build will import when this package library is used + +poems_SYSINC = +poems_SYSLIB = +poems_SYSPATH = diff --git a/lib/voronoi/Makefile.32-bit b/lib/voronoi/Makefile.32-bit new file mode 100644 index 0000000000..555948105b --- /dev/null +++ b/lib/voronoi/Makefile.32-bit @@ -0,0 +1,72 @@ +# library build -*- makefile -*- for voro++ library + +# ------ SETTINGS ------ + +CXX = g++ -m32 +CXXFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ + -fno-rtti -fno-exceptions -finline-functions \ + -ffast-math -funroll-loops -fstrict-aliasing \ + -Wall -W -Wno-uninitialized +ARCHIVE = ar +ARCHFLAG = -rscv +SHELL = /bin/sh + +# ------ DEFINITIONS ------ + +SRC = src/cell.cc src/c_loops.cc src/common.cc src/container.cc \ + src/container_prd.cc src/pre_container.cc src/unitcell.cc \ + src/v_base.cc src/v_compute.cc src/wall.cc + +DIR = Obj_32-bit/ +LIB = $(DIR)libvoronoi.a +OBJ = $(SRC:src/%.cc=$(DIR)%.o) + +# ------ MAKE PROCEDURE ------ + +default: $(DIR) $(LIB) $(EXE) + +$(DIR): + mkdir $(DIR) + +$(LIB): $(DIR) $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) + +# ------ CLEAN ------ + +clean: + -rm $(DIR)*.o *~ $(LIB) + -rmdir $(DIR) + +# ------ MAKE FLAGS ------ + +.SUFFIXES: +.SUFFIXES: .cc .o + +.PHONY: default clean + +# ------ COMPILE RULES ------ + +$(DIR)%.o: src/%.cc + $(CXX) $(CXXFLAGS) -c $< -o $@ + +# ------ DEPENDENCIES ------ + +$(DIR)cell.o: src/cell.cc src/config.hh src/common.hh src/cell.hh +$(DIR)c_loops.o: src/c_loops.cc src/c_loops.hh src/config.hh +$(DIR)common.o: src/common.cc src/common.hh src/config.hh +$(DIR)container.o: src/container.cc src/container.hh src/config.hh \ + src/common.hh src/v_base.hh src/worklist.hh src/cell.hh src/c_loops.hh \ + src/v_compute.hh src/rad_option.hh +$(DIR)container_prd.o: src/container_prd.cc src/container_prd.hh src/config.hh \ + src/common.hh src/v_base.hh src/worklist.hh src/cell.hh src/c_loops.hh \ + src/v_compute.hh src/unitcell.hh src/rad_option.hh +$(DIR)pre_container.o: src/pre_container.cc src/config.hh src/pre_container.hh \ + src/c_loops.hh src/container.hh src/common.hh src/v_base.hh \ + src/worklist.hh src/cell.hh src/v_compute.hh src/rad_option.hh +$(DIR)unitcell.o: src/unitcell.cc src/unitcell.hh src/config.hh src/cell.hh \ + src/common.hh +$(DIR)v_base.o: src/v_base.cc src/v_base.hh src/worklist.hh src/config.hh \ + src/v_base_wl.cc +$(DIR)wall.o: src/wall.cc src/wall.hh src/cell.hh src/config.hh src/common.hh \ + src/container.hh src/v_base.hh src/worklist.hh src/c_loops.hh \ + src/v_compute.hh src/rad_option.hh diff --git a/src/STUBS/Makefile.32-bit b/src/STUBS/Makefile.32-bit new file mode 100644 index 0000000000..065161419c --- /dev/null +++ b/src/STUBS/Makefile.32-bit @@ -0,0 +1,40 @@ +# Makefile for MPI stubs - edit this for your platform + +SHELL = /bin/sh +.IGNORE: + +# Files + +SRC = mpi.c +INC = mpi.h + +# Definitions + +EXE = libmpi_32-bit.a +OBJ = $(SRC:%.c=%_32-bit.o) + +# System-specific settings + +CC = gcc -m32 +CCFLAGS = -O2 -Wall -march=i686 -mtune=generic -mfpmath=387 -mpc64 +ARCHIVE = ar +ARCHFLAG = rs + +# Target + +$(EXE): $(OBJ) + $(ARCHIVE) $(ARCHFLAG) $(EXE) $(OBJ) + +# Clean + +clean: + rm *.o libmpi.a $(EXE) $(OBJ) + +# Compilation rules + +%_32-bit.o: %.c + $(CC) $(CCFLAGS) -c $< -o $@ + +# Individual dependencies + +$(OBJ): $(INC)