new Section package and start doc pages and build scripts

lib/gpu/Install.py

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+#!/usr/bin/env python
+
+# Install.py tool to build the GPU library
+# used to automate the steps described in the README file in this dir
+
+import sys,os,re,commands
+
+# help message
+
+help = """
+Syntax: python Install.py -i isuffix -h hdir -a arch -p precision -e esuffix -m -o osuffix
+  specify one or more options, order does not matter
+  copies an existing Makefile.isuffix in lib/gpu to Makefile.auto 
+  optionally edits these variables in Makefile.auto:
+    CUDA_HOME, CUDA_ARCH, CUDA_PRECISION, EXTRAMAKE
+  optionally uses Makefile.auto to build the GPU library -> libgpu.a
+    and to copy a Makefile.lammps.esuffix -> Makefile.lammps
+  optionally copies Makefile.auto to a new Makefile.osuffix
+
+  -i = use Makefile.isuffix as starting point, copy to Makefile.auto
+       default isuffix = linux
+  -h = set CUDA_HOME variable in Makefile.auto to hdir
+       hdir = path to NVIDIA Cuda software, e.g. /usr/local/cuda
+  -a = set CUDA_ARCH variable in Makefile.auto to arch
+       use arch = ?? for K40 (Tesla)
+       use arch = 37 for dual K80 (Tesla)
+       use arch = 60 for P100 (Pascal)
+  -p = set CUDA_PRECISION variable in Makefile.auto to precision
+       use precision = double or mixed or single
+  -e = set EXTRAMAKE variable in Makefile.auto to Makefile.lammps.esuffix
+  -m = make the GPU library using Makefile.auto
+       first performs a "make clean"
+       produces libgpu.a if successful
+       also copies EXTRAMAKE file -> Makefile.lammps
+         -e can set which Makefile.lammps.esuffix file is copied
+  -o = copy final Makefile.auto to Makefile.osuffix
+"""
+
+# 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()
+
+isuffix = "linux"
+hflag = aflag = pflag = eflag = 0
+makeflag = 0
+outflag = 0
+
+iarg = 0
+while iarg < nargs:
+  if args[iarg] == "-i":
+    if iarg+2 > nargs: error()
+    isuffix = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-h":
+    if iarg+2 > nargs: error()
+    hflag = 1
+    hdir = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-a":
+    if iarg+2 > nargs: error()
+    aflag = 1
+    arch = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-p":
+    if iarg+2 > nargs: error()
+    pflag = 1
+    precision = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-e":
+    if iarg+2 > nargs: error()
+    eflag = 1
+    lmpsuffix = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-m":
+    makeflag = 1
+    iarg += 1
+  elif args[iarg] == "-o":
+    if iarg+2 > nargs: error()
+    outflag = 1
+    osuffix = args[iarg+1]
+    iarg += 2
+  else: error()
+
+if pflag:
+  if precision == "double": precstr = "-D_DOUBLE_DOUBLE"
+  elif precision == "mixed": precstr = "-D_SINGLE_DOUBLE"
+  elif precision == "single": precstr = "-D_SINGLE_SINGLE"
+  else: error("Invalid precision setting")
+  
+# create Makefile.auto
+# reset EXTRAMAKE, CUDA_HOME, CUDA_ARCH, CUDA_PRECISION if requested
+  
+if not os.path.exists("Makefile.%s" % isuffix):
+  error("lib/gpu/Makefile.%s does not exist" % isuffix)
+
+lines = open("Makefile.%s" % isuffix,'r').readlines()
+fp = open("Makefile.auto",'w')
+
+for line in lines:
+  words = line.split()
+  if len(words) != 3:
+    print >>fp,line,
+    continue
+  
+  if hflag and words[0] == "CUDA_HOME" and words[1] == '=':
+    line = line.replace(words[2],hdir)
+  if aflag and words[0] == "CUDA_ARCH" and words[1] == '=':
+    line = line.replace(words[2],"-arch=sm_%s" % arch)
+  if pflag and words[0] == "CUDA_PRECISION" and words[1] == '=':
+    line = line.replace(words[2],precstr)
+  if eflag and words[0] == "EXTRAMAKE" and words[1] == '=':
+    line = line.replace(words[2],"Makefile.lammps.%s" % lmpsuffix)
+    
+  print >>fp,line,
+
+fp.close()
+
+# perform make
+# make operations copies EXTRAMAKE file to Makefile.lammps
+
+if makeflag:
+  print "Building libgpu.a ..."
+  cmd = "rm -f libgpu.a"
+  commands.getoutput(cmd)
+  cmd = "make -f Makefile.auto clean; make -f Makefile.auto"
+  commands.getoutput(cmd)
+  if not os.path.exists("libgpu.a"):
+    error("Build of lib/gpu/libgpu.a was NOT successful")
+  if not os.path.exists("Makefile.lammps"):
+    error("lib/gpu/Makefile.lammps was NOT created")
+
+# copy new Makefile.auto to Makefile.osuffix
+
+if outflag:
+  print "Creating new Makefile.%s" % osuffix
+  cmd = "cp Makefile.auto Makefile.%s" % osuffix
+  commands.getoutput(cmd)