Merge branch 'python-script-portability' into collected-post-stable-patches (db2c8887) · Commits · 郑智淋 / lammps

lib/Install.py

+9 −36

Original line number	Diff line number	Diff line
		@@ -6,34 +6,8 @@

		from __future__ import print_function
		import sys,os,subprocess

		# help message

		help = """
		Syntax from src dir: make lib-libname args="-m machine -e suffix"
		Syntax from lib dir: python Install.py -m machine -e suffix

		libname = name of lib dir (e.g. atc, h5md, meam, poems, etc)
		specify -m and optionally -e, order does not matter

		-m = peform a clean followed by "make -f Makefile.machine"
		machine = suffix of a lib/Makefile.* file
		-e = set EXTRAMAKE variable in Makefile.machine to Makefile.lammps.suffix
		does not alter existing Makefile.machine

		Examples:

		make lib-poems args="-m serial" # build POEMS lib with same settings as in the serial Makefile in src
		make lib-colvars args="-m mpi" # build USER-COLVARS lib with same settings as in the mpi Makefile in src
		make lib-meam args="-m ifort" # build MEAM lib with custom Makefile.ifort (using Intel Fortran)
		"""

		# print error message or help

		def error(str=None):
		if not str: print(help)
		else: print("ERROR",str)
		sys.exit()
		sys.path.append('..')
		from install_helpers import error,get_cpus

		# parse args

		@@ -83,17 +57,16 @@ for line in lines:
		fp.close()

		# make the library via Makefile.auto optionally with parallel make

		try:
		import multiprocessing
		n_cpus = multiprocessing.cpu_count()
		except:
		n_cpus = 1
		n_cpus = get_cpus()

		print("Building lib%s.a ..." % lib)
		cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
		try:
		txt = subprocess.check_output(cmd,shell=True,stderr=subprocess.STDOUT)
		print(txt.decode('UTF-8'))
		except subprocess.CalledProcessError as e:
		print("Make failed with:\n %s" % e.output.decode('UTF-8'))
		sys.exit(1)

		if os.path.exists("lib%s.a" % lib): print("Build was successful")
		else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

lib/colvars/Install.py

+14 −20

Original line number	Diff line number	Diff line
		@@ -4,6 +4,8 @@

		from __future__ import print_function
		import sys,os,subprocess
		sys.path.append('..')
		from install_helpers import error,get_cpus

		# help message

		@@ -24,18 +26,11 @@ Examples:
		make lib-colvars args="-m mpi" # build COLVARS lib with default mpi compiler wrapper
		"""

		# print error message or help

		def error(str=None):
		if not str: print(help)
		else: print("ERROR",str)
		sys.exit()

		# parse args

		args = sys.argv[1:]
		nargs = len(args)
		if nargs == 0: error()
		if nargs == 0: error(help=help)

		machine = None
		extraflag = False
		@@ -43,15 +38,15 @@ extraflag = False
		iarg = 0
		while iarg < nargs:
		if args[iarg] == "-m":
		if iarg+2 > len(args): error()
		if iarg+2 > len(args): error(help=help)
		machine = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-e":
		if iarg+2 > len(args): error()
		if iarg+2 > len(args): error(help=help)
		extraflag = True
		suffix = args[iarg+1]
		iarg += 2
		else: error()
		else: error(help=help)

		# set lib from working dir

		@@ -124,17 +119,16 @@ fp.close()

		# make the library via Makefile.auto optionally with parallel make

		try:
		import multiprocessing
		n_cpus = multiprocessing.cpu_count()
		except:
		n_cpus = 1
		n_cpus = get_cpus()

		print("Building lib%s.a ..." % lib)
		cmd = ["make -f Makefile.auto clean"]
		print(subprocess.check_output(cmd, shell=True).decode('UTF-8'))
		cmd = ["make -f Makefile.auto -j%d" % n_cpus]
		print(subprocess.check_output(cmd, shell=True).decode('UTF-8'))
		cmd = ["make -f Makefile.auto clearn; make -f Makefile.auto -j%d" % n_cpus]
		try:
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True);
		print(txt.decode('UTF-8'))
		except subprocess.CalledProcessError as e:
		print("Make failed with:\n %s" % e.output.decode('UTF-8'))
		sys.exit(1)

		if os.path.exists("lib%s.a" % lib): print("Build was successful")
		else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

lib/colvars/Makefile.deps

+0 −234

Original line number	Diff line number	Diff line

		$(COLVARS_OBJ_DIR)colvaratoms.o: colvaratoms.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
		colvarparse.h colvaratoms.h colvardeps.h
		$(COLVARS_OBJ_DIR)colvarbias_abf.o: colvarbias_abf.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvar.h \
		colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarbias_abf.h colvarbias.h colvargrid.h colvar_UIestimator.h
		$(COLVARS_OBJ_DIR)colvarbias_alb.o: colvarbias_alb.cpp colvarmodule.h \
		colvars_version.h colvarbias.h colvar.h colvarvalue.h colvartypes.h \
		colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarbias_alb.h
		$(COLVARS_OBJ_DIR)colvarbias.o: colvarbias.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvarbias.h \
		colvar.h colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvargrid.h
		$(COLVARS_OBJ_DIR)colvarbias_histogram.o: colvarbias_histogram.cpp \
		colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
		colvarvalue.h colvar.h colvarparse.h colvardeps.h \
		lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarbias_histogram.h colvarbias.h colvargrid.h
		$(COLVARS_OBJ_DIR)colvarbias_meta.o: colvarbias_meta.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvar.h \
		colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarbias_meta.h colvarbias.h colvargrid.h
		$(COLVARS_OBJ_DIR)colvarbias_restraint.o: colvarbias_restraint.cpp \
		colvarmodule.h colvars_version.h colvarproxy.h colvartypes.h \
		colvarvalue.h colvarbias_restraint.h colvarbias.h colvar.h colvarparse.h \
		colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h
		$(COLVARS_OBJ_DIR)colvarcomp_angles.o: colvarcomp_angles.cpp \
		colvarmodule.h colvars_version.h colvar.h colvarvalue.h colvartypes.h \
		colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h
		$(COLVARS_OBJ_DIR)colvarcomp_coordnums.o: colvarcomp_coordnums.cpp \
		colvarmodule.h colvars_version.h colvarparse.h colvarvalue.h \
		colvartypes.h colvaratoms.h colvarproxy.h colvardeps.h colvar.h \
		lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h
		$(COLVARS_OBJ_DIR)colvarcomp.o: colvarcomp.cpp colvarmodule.h \
		colvars_version.h colvarvalue.h colvartypes.h colvar.h colvarparse.h \
		colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h
		$(COLVARS_OBJ_DIR)colvarcomp_distances.o: colvarcomp_distances.cpp \
		colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
		colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h
		$(COLVARS_OBJ_DIR)colvarcomp_protein.o: colvarcomp_protein.cpp \
		colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
		colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h
		$(COLVARS_OBJ_DIR)colvarcomp_rotations.o: colvarcomp_rotations.cpp \
		colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
		colvarparse.h colvar.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h
		$(COLVARS_OBJ_DIR)colvar.o: colvar.cpp colvarmodule.h colvars_version.h \
		colvarvalue.h colvartypes.h colvarparse.h colvar.h colvardeps.h \
		lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h colvarscript.h colvarbias.h
		$(COLVARS_OBJ_DIR)colvardeps.o: colvardeps.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h colvardeps.h \
		colvarparse.h
		$(COLVARS_OBJ_DIR)colvargrid.o: colvargrid.cpp colvarmodule.h \
		colvars_version.h colvarvalue.h colvartypes.h colvarparse.h colvar.h \
		colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarcomp.h colvaratoms.h colvarproxy.h colvargrid.h
		$(COLVARS_OBJ_DIR)colvarmodule.o: colvarmodule.cpp colvarmodule.h \
		colvars_version.h colvarparse.h colvarvalue.h colvartypes.h \
		colvarproxy.h colvar.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarbias.h colvarbias_abf.h colvargrid.h colvar_UIestimator.h \
		colvarbias_alb.h colvarbias_histogram.h colvarbias_meta.h \
		colvarbias_restraint.h colvarscript.h colvaratoms.h colvarcomp.h
		$(COLVARS_OBJ_DIR)colvarparse.o: colvarparse.cpp colvarmodule.h \
		colvars_version.h colvarvalue.h colvartypes.h colvarparse.h
		$(COLVARS_OBJ_DIR)colvarproxy.o: colvarproxy.cpp colvarmodule.h \
		colvars_version.h colvarproxy.h colvartypes.h colvarvalue.h \
		colvarscript.h colvarbias.h colvar.h colvarparse.h colvardeps.h \
		lepton/include/Lepton.h lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvaratoms.h
		$(COLVARS_OBJ_DIR)colvarscript.o: colvarscript.cpp colvarscript.h \
		colvarmodule.h colvars_version.h colvarvalue.h colvartypes.h \
		colvarbias.h colvar.h colvarparse.h colvardeps.h lepton/include/Lepton.h \
		lepton/include/lepton/CompiledExpression.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/windowsIncludes.h \
		lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/ExpressionProgram.h \
		lepton/include/lepton/ExpressionTreeNode.h \
		lepton/include/lepton/Operation.h lepton/include/lepton/CustomFunction.h \
		lepton/include/lepton/Exception.h \
		lepton/include/lepton/ParsedExpression.h lepton/include/lepton/Parser.h \
		colvarproxy.h
		$(COLVARS_OBJ_DIR)colvartypes.o: colvartypes.cpp colvarmodule.h \
		colvars_version.h colvartypes.h colvarparse.h colvarvalue.h
		$(COLVARS_OBJ_DIR)colvarvalue.o: colvarvalue.cpp colvarmodule.h \
		colvars_version.h colvarvalue.h colvartypes.h

lib/gpu/Install.py

+19 −18

Original line number	Diff line number	Diff line
		@@ -5,6 +5,8 @@

		from __future__ import print_function
		import sys,os,subprocess
		sys.path.append('..')
		from install_helpers import error,get_cpus

		# help message

		@@ -51,18 +53,11 @@ make lib-gpu args="-m xk7 -p single -o xk7.single" # create new Makefile.xk
		make lib-gpu args="-m mpi -a sm_35 -p single -o mpi.mixed -b" # create new Makefile.mpi.mixed, also build GPU lib with these settings
		"""

		# print error message or help

		def error(str=None):
		if not str: print(help)
		else: print("ERROR",str)
		sys.exit()

		# parse args

		args = sys.argv[1:]
		nargs = len(args)
		if nargs == 0: error()
		if nargs == 0: error(help=help)

		isuffix = "linux"
		hflag = aflag = pflag = eflag = 0
		@@ -72,26 +67,26 @@ outflag = 0
		iarg = 0
		while iarg < nargs:
		if args[iarg] == "-m":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		isuffix = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-h":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		hflag = 1
		hdir = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-a":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		aflag = 1
		arch = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-p":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		pflag = 1
		precision = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-e":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		eflag = 1
		lmpsuffix = args[iarg+1]
		iarg += 2
		@@ -99,11 +94,11 @@ while iarg < nargs:
		makeflag = 1
		iarg += 1
		elif args[iarg] == "-o":
		if iarg+2 > nargs: error()
		if iarg+2 > nargs: error(help=help)
		outflag = 1
		osuffix = args[iarg+1]
		iarg += 2
		else: error()
		else: error(help=help)

		if pflag:
		if precision == "double": precstr = "-D_DOUBLE_DOUBLE"
		@@ -145,9 +140,15 @@ if makeflag:
		print("Building libgpu.a ...")
		if os.path.exists("libgpu.a"):
		os.remove("libgpu.a")
		cmd = "make -f Makefile.auto clean; make -f Makefile.auto"
		n_cpus = get_cpus()
		cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
		try:
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		print(txt.decode('UTF-8'))
		except subprocess.CalledProcessError as e:
		print("Make failed with:\n %s" % e.output.decode('UTF-8'))
		sys.exit(1)

		if not os.path.exists("libgpu.a"):
		error("Build of lib/gpu/libgpu.a was NOT successful")
		if not os.path.exists("Makefile.lammps"):

lib/gpu/Makefile.linux

+1 −1

Original line number	Diff line number	Diff line
		@@ -55,7 +55,7 @@ CUDA_PRECISION = -D_SINGLE_DOUBLE

		CUDA_INCLUDE = -I$(CUDA_HOME)/include
		CUDA_LIB = -L$(CUDA_HOME)/lib64
		CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math $(LMP_INC) -Xcompiler -fPIC
		CUDA_OPTS = -DUNIX -O3 --use_fast_math $(LMP_INC) -Xcompiler -fPIC

		CUDR_CPP = mpicxx -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC
		CUDR_OPTS = -O2 $(LMP_INC) # -xHost -no-prec-div -ansi-alias

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