git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12574 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
333
src/Make.py
333
src/Make.py
@ -1,14 +1,17 @@
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#!/usr/bin/python
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# Make.py tool for building LAMMPS and its package libs
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# Make.py tool for managing packages and their auxiliary libs,
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# auto-editing machine Makefiles, and building LAMMPS
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# Sytax: Make.py -h (for help)
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import sys,os,commands,re,copy
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# switch abbrevs
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# switch classes = created class for each switch
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# lib classes = all auxiliary libs in LAMMPS plus "all"
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# extra classes = packages that need extra build options
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# setargs = allowed settings
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# lib classes = auxiliary package libs
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# build classes = used to build with certain packages
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# option classes = used for options
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# setargs = makefile settings
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# actionargs = allowed actions (also lib-dir and machine)
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abbrevs = "adhjmoprsv"
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@ -17,7 +20,8 @@ switchclasses = ("actions","dir","help","jmake","makefile",
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"output","packages","redo","settings","verbose")
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libclasses = ("atc","awpmd","colvars","cuda","gpu",
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"meam","poems","qmmm","reax")
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extraclasses = ("intel","kokkos")
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buildclasses = ("cc","intel","kokkos")
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optionclasses = ("jpg","png","fft")
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setargs = ("gzip","#gzip","ffmpeg","#ffmpeg","smallbig","bigbig","smallsmall")
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actionargs = ("lib-all","file","clean","exe")
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@ -26,11 +30,15 @@ actionargs = ("lib-all","file","clean","exe")
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# functions
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# ----------------------------------------------------------------
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# print error str and exit
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# if flag = 1, print str and exit
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# if flag = 0, print str as warning and do not exit
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def error(str):
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print "ERROR:",str
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sys.exit()
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def error(str,flag=1):
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if flag:
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print "ERROR:",str
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sys.exit()
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else:
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print "WARNING:",str
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# store command-line args as sw = dict of key/value
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# key = switch letter, value = list of following args
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@ -56,7 +64,7 @@ def parse_args(args):
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if switch == 'a':
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sw[switch] = args[first:]
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break
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last = first+1
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last = first
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while last < narg and args[last][0] != '-' and \
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args[last] not in actionargs and \
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not args[last].startswith("lib-"):
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@ -96,7 +104,7 @@ Actions:
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can specify zero or more actions in any order
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except machine must be last (if used)
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each action can appear no more than once
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if switches used and machine is only action, prefix by "-a" switch
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if switches used and machine is only action, must prefix with "-a" switch
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actions happen in order below, indpendent of specified order
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some actions depend on installed packages
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installed packages = currently installed + result of -p switch
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@ -160,12 +168,13 @@ Actions:
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self.alist[-1] = "exe"
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return machine
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# build libraries needed in installed packages
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# build one or more auxiliary package libraries
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def lib(self,suffix):
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if suffix != "all":
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print " building library",suffix
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exec("%s.build()" % suffix)
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str = "%s.build()" % suffix
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exec(str)
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else:
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final = packages.final
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for one in packages.lib:
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@ -185,27 +194,58 @@ Actions:
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if makefile: machine = makefile.machine
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else: machine = "auto"
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make = MakeReader(machine,1)
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# if compiler not explicitly set, examine CC makefile setting
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# if mpi, use "mpicxx -show" (for example) to determine underlying compiler
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if not cc.compiler:
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ccfile = make.getvar("CC")
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if "mpi" in ccfile[0]:
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showtxt = commands.getoutput("%s -show" % ccfile[0])
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words = showtxt.split()
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if words[0] == "g++" or words[0] == "c++": cc.compiler = "g++"
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elif words[0] == "icc": cc.compiler = "icc"
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else: cc.compiler = "mpi"
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elif "icc" in ccfile: cc.compiler = "icc"
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elif "g++" in ccfile: cc.compiler = "g++"
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elif "nvcc" in ccfile: cc.compiler = "nvcc"
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if cc.compiler == "mpi":
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error("Makefile.auto using compiler = mpi, b/c could not grok " +
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"%s result from %s -show" % (words[0],ccfile[0]),0)
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# be careful to match makefile settings to compiler being used
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if tweak:
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final = packages.final
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if final["opt"]:
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if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
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if final["user-omp"]:
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make.addvar("CCFLAGS","-fopenmp")
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make.addvar("CCFLAGS","-restrict")
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make.addvar("LINKFLAGS","-fopenmp")
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if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
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# KOKKOS Cuda build will add -Xcompiler -fopenmp
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if cc.compiler != "nvcc": make.addvar("CCFLAGS","-fopenmp")
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if cc.compiler != "nvcc": make.addvar("LINKFLAGS","-fopenmp")
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if final["user-intel"]:
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if intel.mode == "cpu":
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if cc.compiler != "icc":
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error("Makefile.auto for intel/cpu but without some settings " +
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"b/c may not be using Intel icc compiler",0)
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make.addvar("CCFLAGS","-fopenmp")
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make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
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make.addvar("CCFLAGS","-restrict")
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make.addvar("CCFLAGS","-xHost")
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make.addvar("CCFLAGS","-fno-alias")
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make.addvar("CCFLAGS","-ansi-alias")
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make.addvar("CCFLAGS","-override-limits")
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make.addvar("LINKFLAGS","-fopenmp")
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make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
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if cc.compiler == "icc": make.addvar("CCFLAGS","-restrict")
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make.addvar("CCFLAGS","-xHost")
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if cc.compiler == "icc": make.addvar("CCFLAGS","-fno-alias")
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if cc.compiler == "icc": make.addvar("CCFLAGS","-ansi-alias")
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if cc.compiler == "icc": make.addvar("CCFLAGS","-override-limits")
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if cc.compiler == "icc": make.addvar("LINKFLAGS","-xHost")
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make.delvar("CCFLAGS","-DLMP_INTEL_OFFLOAD")
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make.delvar("LINKFLAGS","-offload")
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elif intel.mode == "phi":
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if cc.compiler != "icc":
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error("Makefile.auto for intel/phi but may not be " +
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"using Intel icc compiler",0)
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make.addvar("CCFLAGS","-fopenmp")
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make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
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make.addvar("CCFLAGS","-restrict")
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@ -227,6 +267,9 @@ Actions:
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make.delvar("CUDA")
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make.delvar("MIC")
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elif kokkos.mode == "cuda":
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if cc.compiler != "nvcc":
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error("Makefile.auto for kokkos/cuda but may not be " +
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"using NVIDIA nvcc compiler",0)
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make.addvar("OMP","yes")
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make.addvar("CUDA","yes")
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make.delvar("MIC")
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@ -258,6 +301,49 @@ Actions:
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make.delvar("LMP_INC","-DLAMMPS_BIGBIG")
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make.addvar("LMP_INC","-DLAMMPS_SMALLSMALL")
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if jpg:
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if jpg.on == 0:
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make.delvar("LMP_INC","-DLAMMPS_JPEG")
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make.delvar("JPG_LIB","-ljpeg")
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else:
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make.addvar("LMP_INC","-DLAMMPS_JPEG")
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make.addvar("JPG_LIB","-ljpeg")
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if jpg.dir:
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make.addvar("JPG_INC","-I%s/include" % jpg.dir)
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make.addvar("JPG_PATH","-L%s/lib" % jpg.dir)
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else:
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if jpg.incdir: make.addvar("JPG_INC","-I%s" % jpg.incdir)
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if jpg.libdir: make.addvar("JPG_PATH","-L%s" % jpg.libdir)
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if png:
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if png.on == 0:
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make.delvar("LMP_INC","-DLAMMPS_PNG")
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make.delvar("JPG_LIB","-lpng")
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else:
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make.addvar("LMP_INC","-DLAMMPS_PNG")
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make.addvar("JPG_LIB","-lpng")
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if png.dir:
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make.addvar("JPG_INC","-I%s/include" % png.dir)
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make.addvar("JPG_PATH","-L%s/lib" % png.dir)
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else:
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if png.incdir: make.addvar("JPG_INC","-I%s" % png.incdir)
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if png.libdir: make.addvar("JPG_PATH","-L%s" % png.libdir)
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if fft:
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make.delvar("FFT_INC","*")
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make.delvar("FFT_PATH","*")
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make.delvar("FFT_LIB","*")
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if fft.mode == "none": make.addvar("FFT_INC","-DFFT_NONE")
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else:
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make.addvar("FFT_INC","-DFFT_%s" % fft.mode.upper())
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make.addvar("FFT_LIB",fft.lib)
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if fft.dir:
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make.addvar("FFT_INC","-I%s/include" % fft.dir)
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make.addvar("FFT_PATH","-L%s/lib" % fft.dir)
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else:
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if fft.incdir: make.addvar("FFT_INC","-I%s" % fft.incdir)
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if fft.libdir: make.addvar("FFT_PATH","-L%s" % fft.libdir)
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make.write("%s/MAKE/MINE/Makefile.auto" % dir.src,1)
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print "Created src/MAKE/MINE/Makefile.auto"
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@ -281,7 +367,7 @@ Actions:
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if not os.path.isfile("%s/lmp_auto" % dir.src):
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if not verbose: print txt
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error('Unsuccessful "make auto"')
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else: print "Created src/lmp_auto"
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elif not output: print "Created src/lmp_auto"
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# dir switch
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@ -335,11 +421,12 @@ Syntax: Make.py switch args ... {action1} {action2} ...
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switches for libs:
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-atc, -awpmd, -colvars, -cuda
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-gpu, -meam, -poems, -qmmm, -reax
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switches for extra package options:
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-intel, -kokkos
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switches for build and makefile options:
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-intel, -kokkos, -jpg, -png, -fft
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add -h switch to command line to print this message
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and help on other specified switches or actions
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add -a switch if not seeing action help
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"""
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# jmake switch
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@ -420,9 +507,9 @@ class Packages:
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lib = all standard and user packages with auxiliary libs
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can abbreviate package names and yes/no
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omp = user-omp = yes-user-omp
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#omp = #user-omp = no-user-omp
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user = yes-user, #user = no-user
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all = yes-all, #all = no-all
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^omp = ^user-omp = no-user-omp
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user = yes-user, ^user = no-user
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all = yes-all, ^all = no-all
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when action performed, list is processed in order,
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as if typed "make yes/no" for each
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if "orig" or "original" is last package in list,
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@ -455,17 +542,17 @@ class Packages:
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plist.append("yes-%s" % one)
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elif "user-"+one in user:
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plist.append("yes-user-%s" % one)
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elif one == '#' and one[1:] in std:
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elif one == '^' and one[1:] in std:
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plist.append("no-%s" % one[1:])
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elif one[0] == '#' and one[1:] in user:
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elif one[0] == '^' and one[1:] in user:
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plist.append("no-%s" % one[1:])
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elif one[0] == '#' and "user-"+one[1:] in user:
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elif one[0] == '^' and "user-"+one[1:] in user:
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plist.append("no-user-%s" % one[1:])
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elif one == "std" or one == "standard" or one == "user" or \
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one == "lib" or one == "all":
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plist.append("yes-%s" % one)
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elif one == "#std" or one == "#standard" or one == "#user" or \
|
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one == "#lib" or one == "#all":
|
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elif one == "^std" or one == "^standard" or one == "^user" or \
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one == "^lib" or one == "^all":
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plist.append("no-%s" % one[1:])
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elif one == "orig": plist.append(one)
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else: error("Invalid package name %s" % one)
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@ -1115,9 +1202,30 @@ class REAX:
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else: print "Created lib/reax library"
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# ----------------------------------------------------------------
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# extra classes for intel and kokkos package options
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# classes for cc and intel and kokkos build options
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# ----------------------------------------------------------------
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# Cc class
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class Cc:
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def __init__(self,list):
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if list == None: self.inlist = None
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else: self.inlist = list[:]
|
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self.compiler = ""
|
||||
|
||||
def help(self):
|
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return """
|
||||
-cc compiler
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compiler = g++ or icc or nvcc
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||||
def = CC setting in Makefile.auto, result of "mpicxx -show" if MPI wrapper
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||||
used to tailor some Makefile.machine settings for specific compilers
|
||||
"""
|
||||
|
||||
def check(self):
|
||||
if self.inlist == None: return
|
||||
if len(self.inlist) != 1: error("-cc args are invalid")
|
||||
self.compiler = self.inlist[0]
|
||||
|
||||
# Intel class
|
||||
|
||||
class Intel:
|
||||
@ -1174,6 +1282,120 @@ class Kokkos:
|
||||
self.arch = words[1]
|
||||
self.archflag = 1
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||||
else: error("-kokkos args are invalid")
|
||||
|
||||
# ----------------------------------------------------------------
|
||||
# classes for JPG, PNG, FFT makefile options
|
||||
# ----------------------------------------------------------------
|
||||
|
||||
# Jpg class
|
||||
|
||||
class Jpg:
|
||||
def __init__(self,list):
|
||||
self.inlist = list[:]
|
||||
self.on = 1
|
||||
self.dir = self.incdir = self.libdir = ""
|
||||
|
||||
def help(self):
|
||||
return """
|
||||
-jpg flag dir=homedir idir=incdir ldir=libdir
|
||||
all args are optional, flag must come first if specified
|
||||
flag = yes or no (def = yes)
|
||||
include or exclude JPEG support
|
||||
adds/removes -DLAMMPS_JPEG and -ljpeg settings
|
||||
dir = home dir for include and library files (def = none)
|
||||
adds -Idir/include and -Ldir/lib settings
|
||||
if set, overrides idir and ldir args
|
||||
idir = dir for include file (def = none)
|
||||
adds -Iidir setting
|
||||
ldir = dir for library file (def = none)
|
||||
adds -Lldir setting
|
||||
"""
|
||||
|
||||
def check(self):
|
||||
for i,one in enumerate(self.inlist):
|
||||
if one == "no" and i == 0: self.on = 0
|
||||
elif one == "yes" and i == 0: self.on = 1
|
||||
else:
|
||||
words = one.split('=')
|
||||
if len(words) != 2: error("-jpeg args are invalid")
|
||||
if words[0] == "dir": self.dir = words[1]
|
||||
elif words[0] == "idir": self.incdir = words[1]
|
||||
elif words[0] == "ldir": self.libdir = words[1]
|
||||
else: error("-jpeg args are invalid")
|
||||
|
||||
# Png class
|
||||
|
||||
class Png:
|
||||
def __init__(self,list):
|
||||
self.inlist = list[:]
|
||||
self.on = 1
|
||||
self.dir = self.incdir = self.libdir = ""
|
||||
|
||||
def help(self):
|
||||
return """
|
||||
-png flag dir=homedir idir=incdir ldir=libdir
|
||||
all args are optional, flag must come first if specified
|
||||
flag = yes or no (def = yes)
|
||||
include or exclude PNG support
|
||||
adds/removes -DLAMMPS_PNG and -lpng settings
|
||||
dir = home dir for include and library files (def = none)
|
||||
adds -Idir/include and -Ldir/lib settings
|
||||
if set, overrides idir and ldir args
|
||||
idir = dir for include file (def = none)
|
||||
adds -Iidir setting
|
||||
ldir = dir for library file (def = none)
|
||||
adds -Lldir setting
|
||||
"""
|
||||
|
||||
def check(self):
|
||||
for i,one in enumerate(self.inlist):
|
||||
if one == "no" and i == 0: self.on = 0
|
||||
elif one == "yes" and i == 0: self.on = 1
|
||||
else:
|
||||
words = one.split('=')
|
||||
if len(words) != 2: error("-png args are invalid")
|
||||
if words[0] == "dir": self.dir = words[1]
|
||||
elif words[0] == "idir": self.incdir = words[1]
|
||||
elif words[0] == "ldir": self.libdir = words[1]
|
||||
else: error("-png args are invalid")
|
||||
|
||||
# Fft class
|
||||
|
||||
class Fft:
|
||||
def __init__(self,list):
|
||||
self.inlist = list[:]
|
||||
self.dir = self.incdir = self.libdir = ""
|
||||
|
||||
def help(self):
|
||||
return """
|
||||
-fft mode lib=libname dir=homedir idir=incdir ldir=libdir
|
||||
mode is required, all other args are optional
|
||||
removes all current FFT variable settings
|
||||
mode = none or fftw or ...
|
||||
adds -DFFT_MODE setting
|
||||
lib = name of FFT library to link with (def is libname = mode)
|
||||
adds -lliblibname setting
|
||||
dir = home dir for include and library files (def = none)
|
||||
adds -Idir/include and -Ldir/lib settings
|
||||
if set, overrides idir and ldir args
|
||||
idir = dir for include file (def = none)
|
||||
adds -Iidir setting
|
||||
ldir = dir for library file (def = none)
|
||||
adds -Lldir setting
|
||||
"""
|
||||
|
||||
def check(self):
|
||||
if not len(self.inlist): error("-fft args are invalid")
|
||||
self.mode = self.inlist[0]
|
||||
self.lib = "-l%s" % self.mode
|
||||
for one in self.inlist[1:]:
|
||||
words = one.split('=')
|
||||
if len(words) != 2: error("-fft args are invalid")
|
||||
if words[0] == "lib": self.lib = "-l%s" % words[1]
|
||||
elif words[0] == "dir": self.dir = words[1]
|
||||
elif words[0] == "idir": self.incdir = words[1]
|
||||
elif words[0] == "ldir": self.libdir = words[1]
|
||||
else: error("-fft args are invalid")
|
||||
|
||||
# ----------------------------------------------------------------
|
||||
# auxiliary classes
|
||||
@ -1344,6 +1566,11 @@ class MakeReader:
|
||||
|
||||
cmd_switches,cmd_switch_order = parse_args(sys.argv[1:])
|
||||
|
||||
if "v" in cmd_switches:
|
||||
print "Command-line parsing:"
|
||||
for switch in cmd_switch_order:
|
||||
print " %s: %s" % (switch,' '.join(cmd_switches[switch]))
|
||||
|
||||
# check for redo switch, process redo file
|
||||
# redolist = list of commands to execute
|
||||
|
||||
@ -1411,8 +1638,9 @@ while 1:
|
||||
|
||||
for one in switchclasses: exec("%s = None" % one)
|
||||
for one in libclasses: exec("%s = None" % one)
|
||||
for one in extraclasses: exec("%s = None" % one)
|
||||
|
||||
for one in buildclasses: exec("%s = None" % one)
|
||||
for one in optionclasses: exec("%s = None" % one)
|
||||
|
||||
# classes = dictionary of created classes
|
||||
# key = switch, value = class instance
|
||||
|
||||
@ -1424,16 +1652,22 @@ while 1:
|
||||
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
|
||||
(switchclasses[i],switch,capitalized,switch)
|
||||
exec(txt)
|
||||
elif len(switch) > 1 and switch in libclasses:
|
||||
elif switch in libclasses:
|
||||
i = libclasses.index(switch)
|
||||
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
|
||||
(libclasses[i],switch,libclasses[i].upper(),switch)
|
||||
exec(txt)
|
||||
elif len(switch) > 1 and switch in extraclasses:
|
||||
i = extraclasses.index(switch)
|
||||
capitalized = extraclasses[i][0].upper() + extraclasses[i][1:]
|
||||
elif switch in buildclasses:
|
||||
i = buildclasses.index(switch)
|
||||
capitalized = buildclasses[i][0].upper() + buildclasses[i][1:]
|
||||
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
|
||||
(extraclasses[i],switch,capitalized,switch)
|
||||
(buildclasses[i],switch,capitalized,switch)
|
||||
exec(txt)
|
||||
elif switch in optionclasses:
|
||||
i = optionclasses.index(switch)
|
||||
capitalized = optionclasses[i][0].upper() + optionclasses[i][1:]
|
||||
txt = '%s = classes["%s"] = %s(switches["%s"])' % \
|
||||
(optionclasses[i],switch,capitalized,switch)
|
||||
exec(txt)
|
||||
else: error("Unknown command-line switch -%s" % switch)
|
||||
|
||||
@ -1448,7 +1682,7 @@ while 1:
|
||||
sys.exit()
|
||||
|
||||
# create needed default classes if not specified with switch
|
||||
# dir and packages, all lib classes so defaults are set
|
||||
# dir and packages plus lib and build classes so defaults are set
|
||||
|
||||
if not dir: dir = Dir(None)
|
||||
if not packages: packages = Packages(None)
|
||||
@ -1457,7 +1691,7 @@ while 1:
|
||||
txt = "if not %s: %s = %s(None)" % (one,one,one.upper())
|
||||
exec(txt)
|
||||
|
||||
for one in extraclasses:
|
||||
for one in buildclasses:
|
||||
capitalized = one[0].upper() + one[1:]
|
||||
txt = "if not %s: %s = %s(None)" % (one,one,capitalized)
|
||||
exec(txt)
|
||||
@ -1468,7 +1702,7 @@ while 1:
|
||||
|
||||
# prep for action
|
||||
# actions.setup() detects if last action = machine
|
||||
# if yes, induces addition of "-m" and "-o" switches
|
||||
# if yes, induce addition of "-m" and "-o" switches
|
||||
|
||||
dir.setup()
|
||||
packages.setup()
|
||||
@ -1480,13 +1714,13 @@ while 1:
|
||||
if 'm' not in switches:
|
||||
switches['m'] = [machine]
|
||||
switch_order.insert(-1,'m')
|
||||
classes['m'] = Makefile(switches['m'])
|
||||
classes['m'].check()
|
||||
makefile = classes['m'] = Makefile(switches['m'])
|
||||
makefile.check()
|
||||
if 'o' not in switches:
|
||||
switches['o'] = [machine]
|
||||
switch_order.insert(-1,'o')
|
||||
classes['o'] = Makefile(switches['o'])
|
||||
classes['o'].check()
|
||||
output = classes['o'] = Makefile(switches['o'])
|
||||
output.check()
|
||||
|
||||
# perform actions
|
||||
|
||||
@ -1507,7 +1741,8 @@ while 1:
|
||||
if output and actions and "exe" in actions.alist:
|
||||
txt = "cp %s/lmp_auto %s/lmp_%s" % (dir.src,dir.cwd,output.machine)
|
||||
commands.getoutput(txt)
|
||||
|
||||
print "Created lmp_%s in %s" % (output.machine,dir.cwd)
|
||||
|
||||
# write current Make.py command to src/Make.py.last
|
||||
|
||||
argstr = switch2str(switches,switch_order)
|
||||
|
||||
Reference in New Issue
Block a user