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lammps/lib/mscg/Install.py
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Install.py
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#!/usr/bin/env python
# Install.py tool to download, unpack, build, and link to the MS-CG library
# used to automate the steps described in the README file in this dir
from __future__ import print_function
import sys,os,re,subprocess
# help message
help = """
Syntax from src dir: make lib-mscg args="-p [path] -m [suffix]"
or: make lib-mscg args="-b -m [suffix]"
Syntax from lib dir: python Install.py -p [path] -m [suffix]
Syntax from lib dir: python Install.py -b -m [suffix]
specify one or more options, order does not matter
-b = download and build MS-CG library
-p = specify folder of existing MS-CG installation
-m = machine suffix specifies which src/Make/Makefile.suffix to use
default suffix = g++_simple
Example:
make lib-mscg args="-b -m serial " # download/build in lib/mscg/MSCG-release-master with settings compatible with "make serial"
make lib-mscg args="-b -m mpi " # download/build in lib/mscg/MSCG-release-master with settings compatible with "make mpi"
make lib-mscg args="-p /usr/local/mscg-release " # use existing MS-CG installation in /usr/local/mscg-release
"""
# settings
url = "http://github.com/uchicago-voth/MSCG-release/archive/master.tar.gz"
tarfile = "MS-CG-master.tar.gz"
tardir = "MSCG-release-master"
# print error message or help
def error(str=None):
if not str: print(help)
else: print("ERROR",str)
sys.exit()
# expand to full path name
# process leading '~' or relative path
def fullpath(path):
return os.path.abspath(os.path.expanduser(path))
def which(program):
def is_exe(fpath):
return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
fpath, fname = os.path.split(program)
if fpath:
if is_exe(program):
return program
else:
for path in os.environ["PATH"].split(os.pathsep):
path = path.strip('"')
exe_file = os.path.join(path, program)
if is_exe(exe_file):
return exe_file
return None
def geturl(url,fname):
success = False
if which('curl') != None:
cmd = 'curl -L -o "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
if not success and which('wget') != None:
cmd = 'wget -O "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
if not success:
error("Failed to download source code with 'curl' or 'wget'")
return
# parse args
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error()
homepath = "."
homedir = tardir
buildflag = False
pathflag = False
linkflag = True
msuffix = "g++_simple"
iarg = 0
while iarg < nargs:
if args[iarg] == "-p":
if iarg+2 > nargs: error()
mscgpath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-m":
if iarg+2 > nargs: error()
msuffix = args[iarg+1]
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error()
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath,homedir)
if (pathflag):
if not os.path.isdir(mscgpath): error("MS-CG path does not exist")
homedir = mscgpath
if (buildflag and pathflag):
error("Cannot use -b and -p flag at the same time")
if (not buildflag and not pathflag):
error("Have to use either -b or -p flag")
# download and unpack MS-CG tarfile
if buildflag:
print("Downloading MS-CG ...")
geturl(url,"%s/%s" % (homepath,tarfile))
print("Unpacking MS-CG tarfile ...")
if os.path.exists("%s/%s" % (homepath,tardir)):
cmd = 'rm -rf "%s/%s"' % (homepath,tardir)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
cmd = 'cd "%s"; tar -xzvf %s' % (homepath,tarfile)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.remove("%s/%s" % (homepath,tarfile))
if os.path.basename(homedir) != tardir:
if os.path.exists(homedir):
cmd = 'rm -rf "%s"' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
os.rename("%s/%s" % (homepath,tardir),homedir)
# build MS-CG
if buildflag:
print("Building MS-CG ...")
if os.path.exists("%s/src/Make/Makefile.%s" % (homedir,msuffix)):
cmd = 'cd "%s/src"; cp Make/Makefile.%s .; make -f Makefile.%s' % \
(homedir,msuffix,msuffix)
elif os.path.exists("Makefile.%s" % msuffix):
cmd = 'cd "%s/src"; cp ../../Makefile.%s .; make -f Makefile.%s' % \
(homedir,msuffix,msuffix)
else:
error("Cannot find Makefile.%s" % msuffix)
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
print(txt.decode('UTF-8'))
if not os.path.exists("Makefile.lammps"):
print("Creating Makefile.lammps")
if os.path.exists("Makefile.lammps.%s" % msuffix):
cmd = 'cp Makefile.lammps.%s Makefile.lammps' % msuffix
else:
cmd = 'cp Makefile.lammps.default Makefile.lammps'
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
else: print("Makefile.lammps exists. Please check its settings")
# create 2 links in lib/mscg to MS-CG src dir
if linkflag:
print("Creating links to MS-CG include and lib files")
if os.path.isfile("includelink") or os.path.islink("includelink"):
os.remove("includelink")
if os.path.isfile("liblink") or os.path.islink("liblink"):
os.remove("liblink")
cmd = 'ln -s "%s/src" includelink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
cmd = 'ln -s "%s/src" liblink' % homedir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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