port plumed and mscg Install.py files to use argparse

lib/mscg/Install.py

@@ -6,80 +6,76 @@
 from __future__ import print_function
 import sys,os,re,subprocess,shutil
 sys.path.append('..')
-from install_helpers import error,get_cpus,fullpath,which,get_cpus,geturl
+from install_helpers import get_cpus,fullpath,get_cpus,geturl
+
+from argparse import ArgumentParser
+
+parser = ArgumentParser(prog='Install.py',
+                        description="LAMMPS library build wrapper script")
+
+# settings
+
+version = "1.7.3.1"
+machine = "g++_simple"
 
 # help message
 
 help = """
-Syntax from src dir: make lib-mscg args="-p [path] -m [suffix]"
+Syntax from src dir: make lib-mscg args="-p [path] -m [suffix] -v [version]"
                  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 -p [path]  -m [suffix] -v [version]
 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 serial " # download/build in lib/mscg/MSCG-release 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="-b -m mpi " # download/build in lib/mscg/MSCG-release 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
 """
 
+# known checksums for different MSCG versions. used to validate the download.
+checksums = { \
+        '1.7.3.1' : '8c45e269ee13f60b303edd7823866a91', \
+        }
+
+# parse and process arguments
+
+pgroup = parser.add_mutually_exclusive_group()
+pgroup.add_argument("-b", "--build", action="store_true",
+                    help="download and build the MSCG library")
+pgroup.add_argument("-p", "--path",
+                    help="specify folder of existing MSCG installation")
+parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
+                    help="set version of MSCG to download and build (default: %s)" % version)
+parser.add_argument("-m", "--machine", default=machine, choices=['g++_simple','intel_simple','lapack', 'mac'],
+                    help="set machine suffix specifies which src/Make/Makefile.suffix to use. (default: %s)" % machine)
+
+args = parser.parse_args()
+
+# print help message and exit, if neither build nor path options are given
+if args.build == False and not args.path:
+  parser.print_help()
+  sys.exit(help)
+
+buildflag = args.build
+pathflag = args.path != None
+mscgpath= args.path
+msuffix = args.machine
+mscgver = args.version
+
 # settings
 
-mscgver = "1.7.3.1"
 url = "https://github.com/uchicago-voth/MSCG-release/archive/%s.tar.gz" % mscgver
 tarfile = "MS-CG-%s.tar.gz" % mscgver
 tardir = "MSCG-release-%s" % mscgver
 
-# parse args
+homepath = fullpath('.')
-
+homedir = "%s/%s" % (homepath,tardir)
-args = sys.argv[1:]
-nargs = len(args)
-if nargs == 0: error(help=help)
-
-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(help=help)
-    mscgpath = fullpath(args[iarg+1])
-    pathflag = True
-    iarg += 2
-  elif args[iarg] == "-m":
-    if iarg+2 > nargs: error(help=help)
-    msuffix = args[iarg+1]
-    iarg += 2
-  elif args[iarg] == "-b":
-    buildflag = True
-    iarg += 1
-  else: error(help=help)
-
-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:
@@ -127,13 +123,12 @@ if buildflag:
 
 # create 2 links in lib/mscg to MS-CG src dir
 
-if linkflag:
+print("Creating links to MS-CG include and lib files")
-  print("Creating links to MS-CG include and lib files")
+if os.path.isfile("includelink") or os.path.islink("includelink"):
-  if os.path.isfile("includelink") or os.path.islink("includelink"):
+  os.remove("includelink")
-    os.remove("includelink")
+if os.path.isfile("liblink") or os.path.islink("liblink"):
-  if os.path.isfile("liblink") or os.path.islink("liblink"):
+  os.remove("liblink")
-    os.remove("liblink")
+cmd = 'ln -s "%s/src" includelink' % homedir
-  cmd = 'ln -s "%s/src" includelink' % homedir
+subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+cmd = 'ln -s "%s/src" liblink' % homedir
-  cmd = 'ln -s "%s/src" liblink' % homedir
+subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

lib/plumed/Install.py

@@ -6,7 +6,16 @@
 from __future__ import print_function
 import sys,os,re,subprocess,hashlib,shutil
 sys.path.append('..')
-from install_helpers import error,get_cpus,fullpath,which,geturl,checkmd5sum
+from install_helpers import get_cpus,fullpath,geturl,checkmd5sum
+from argparse import ArgumentParser
+
+parser = ArgumentParser(prog='Install.py',
+                        description="LAMMPS library build wrapper script")
+
+# settings
+
+version = "2.4.3"
+mode = "static"
 
 # help message
 
@@ -19,24 +28,12 @@ Syntax from lib dir: python Install.py -b -v 2.4.3
                  or: python Install.py -b
                  or: python Install.py -p /usr/local/plumed2 -m shared
 
-specify one or more options, order does not matter
-
-  -b = download and build the plumed2 library
-  -v = set version of plumed2 to download and build (default: 2.4.3)
-  -p = specify folder of existing plumed2 installation
-  -m = set plumed linkage mode: static (default), shared, or runtime
-
 Example:
 
 make lib-plumed args="-b"   # download/build in lib/plumed/plumed2
 make lib-plumed args="-p $HOME/plumed2 -m shared" # use existing Plumed2 installation in $HOME/plumed2
 """
 
-# settings
-
-version = "2.4.3"
-mode = "static"
-
 # known checksums for different PLUMED versions. used to validate the download.
 checksums = { \
         '2.4.2' : '88188743a6e03ef076e5377d03ebb0e7', \
@@ -44,55 +41,36 @@ checksums = { \
         '2.5b'  : 'e341bdef469be1da058b8a0b97a3db22', \
         }
 
-# parse args
+# parse and process arguments
 
-args = sys.argv[1:]
+pgroup = parser.add_mutually_exclusive_group()
-nargs = len(args)
+pgroup.add_argument("-b", "--build", action="store_true",
-if nargs == 0: error(help=help)
+                    help="download and build the plumed2 library")
+pgroup.add_argument("-p", "--path",
+                    help="specify folder of existing plumed2 installation")
+parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
+                    help="set version of plumed to download and build (default: %s)" % version)
+parser.add_argument("-m", "--mode", default=mode, choices=['static', 'shared', 'runtime'],
+                    help="set plumed linkage mode: static (default), shared, or runtime")
 
-homepath = "."
+args = parser.parse_args()
 
-buildflag = False
+# print help message and exit, if neither build nor path options are given
-pathflag = False
+if args.build == False and not args.path:
-suffixflag = False
+  parser.print_help()
-linkflag = True
+  sys.exit(help)
 
-iarg = 0
+buildflag = args.build
-while iarg < nargs:
+pathflag = args.path != None
-  if args[iarg] == "-v":
+plumedpath= args.path
-    if iarg+2 > nargs: error(help=help)
-    version = args[iarg+1]
-    iarg += 2
-  elif args[iarg] == "-p":
-    if iarg+2 > nargs: error(help=help)
-    plumedpath = fullpath(args[iarg+1])
-    pathflag = True
-    iarg += 2
-  elif args[iarg] == "-m":
-    if iarg+2 > nargs: error(help=help)
-    mode = args[iarg+1]
-    iarg += 2
-  elif args[iarg] == "-b":
-    buildflag = True
-    iarg += 1
-  else: error(help=help)
 
-homepath = fullpath(homepath)
+homepath = fullpath('.')
 homedir = "%s/plumed2" % (homepath)
 
 if (pathflag):
     if not os.path.isdir(plumedpath): error("Plumed2 path does not exist")
     homedir = plumedpath
 
-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")
-
-if ((mode != "static") and (mode != "shared") and (mode != "runtime")):
-    error("Unknown linkage mode '%s' for Plumed" % mode)
-
 # download and unpack plumed2 tarball
 
 if buildflag:
@@ -128,18 +106,17 @@ if buildflag:
  
 # create 2 links in lib/plumed to plumed2 installation dir
 
-if linkflag:
+print("Creating links to plumed2 include and lib files")
-  print("Creating links to plumed2 include and lib files")
+if os.path.isfile("includelink") or os.path.islink("includelink"):
-  if os.path.isfile("includelink") or os.path.islink("includelink"):
+  os.remove("includelink")
-    os.remove("includelink")
+if os.path.isfile("liblink") or os.path.islink("liblink"):
-  if os.path.isfile("liblink") or os.path.islink("liblink"):
+  os.remove("liblink")
-    os.remove("liblink")
+cmd = 'ln -s "%s/include" includelink' % homedir
-  cmd = 'ln -s "%s/include" includelink' % homedir
+subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+cmd = 'ln -s "%s/lib" liblink' % homedir
+subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+if os.path.isfile("Makefile.lammps.%s" % mode):
+  print("Creating Makefile.lammps")
+  cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
   subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  cmd = 'ln -s "%s/lib" liblink' % homedir
-  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
-  if os.path.isfile("Makefile.lammps.%s" % mode):
-    print("Creating Makefile.lammps")
-    cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
-    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
 

lib/voronoi/Install.py

@@ -23,6 +23,7 @@ help = """
 Syntax from src dir: make lib-voronoi args="-b"
                  or: make lib-voronoi args="-p /usr/local/voro++-0.4.6"
                  or: make lib-voronoi args="-b -v voro++-0.4.6"
+
 Syntax from lib dir: python Install.py -b -v voro++-0.4.6
                  or: python Install.py -b
                  or: python Install.py -p /usr/local/voro++-0.4.6
@@ -41,7 +42,7 @@ pgroup.add_argument("-b", "--build", action="store_true",
 pgroup.add_argument("-p", "--path",
                     help="specify folder of existing Voro++ installation")
 parser.add_argument("-v", "--version", default=version,
-                    help="set Voro++ version of Voro++ to download and build (default: %s)" % version)
+                    help="set version of Voro++ to download and build (default: %s)" % version)
 
 args = parser.parse_args()
 
@@ -53,7 +54,6 @@ if args.build == False and not args.path:
 buildflag = args.build
 pathflag = args.path != None
 voropath = args.path
-linkflag = True
 
 homepath = fullpath(".")
 homedir = "%s/%s" % (homepath,version)