Make KIM Install.py Python 3 compatible
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@ -2,8 +2,8 @@
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# install.pa tool to setup the kim-api library
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# used to automate the steps described in the README file in this dir
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import sys,os,re,urllib,commands
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from __future__ import print_function
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import sys,os,re,urllib,subprocess
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help = """
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Syntax from src dir: make lib-kim args="-v version -b kim-install-dir kim-name -a kim-name"
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@ -42,7 +42,7 @@ in the "What is in the KIM API source package?" section
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"""
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def error():
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print help
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print(help)
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sys.exit()
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# parse args
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@ -54,8 +54,8 @@ if nargs == 0: error()
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thisdir = os.environ['PWD']
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version = "kim-api-v1.8.2"
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buildflag = 0
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addflag = 0
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buildflag = False
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addflag = False
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iarg = 0
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while iarg < len(args):
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@ -64,13 +64,13 @@ while iarg < len(args):
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version = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-b":
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buildflag = 1
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buildflag = True
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if iarg+3 > len(args): error()
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dir = args[iarg+1]
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modelname = args[iarg+2]
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iarg += 3
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elif args[iarg] == "-a":
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addflag = 1
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addflag = True
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if iarg+2 > len(args): error()
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addmodelname = args[iarg+1]
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iarg += 2
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@ -82,176 +82,175 @@ url = "https://s3.openkim.org/kim-api/%s.tgz" % version
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# download KIM tarball, unpack, build KIM
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# either in lib/kim or user-requested location
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if buildflag == 1:
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if buildflag:
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# set install directory
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dir = os.path.abspath(dir) + "/installed-" + version
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dir = os.path.join(os.path.abspath(dir), "installed-" + version)
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# check to see if an installed kim-api already exists
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if os.path.isdir(dir):
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print "kim-api is already installed at %s" % dir
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print "Must remove this directory in order to resintall at this location"
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print("kim-api is already installed at %s" % dir)
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print("Must remove this directory in order to resintall at this location")
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sys.exit()
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# configure LAMMPS to use kim-api to be installed
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mkfle = open("%s/Makefile.KIM_DIR" % thisdir, 'w')
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mkfle.write("KIM_INSTALL_DIR=%s\n" % dir)
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mkfle.write("\n")
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mkfle.write(".DUMMY: print_dir\n")
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mkfle.write("\n")
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mkfle.write("print_dir:\n")
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mkfle.write(" @printf $(KIM_INSTALL_DIR)\n")
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mkfle.close()
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open("%s/Makefile.KIM_Config" % thisdir, 'w'). \
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write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)
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print "Created %s/Makefile.KIM_DIR : using %s" % (thisdir,dir)
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with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
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mkfle.write("KIM_INSTALL_DIR=%s\n\n" % dir)
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mkfle.write(".DUMMY: print_dir\n\n")
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mkfle.write("print_dir:\n")
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mkfle.write(" @printf $(KIM_INSTALL_DIR)\n")
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with open("%s/Makefile.KIM_Config" % thisdir, 'w') as cfgfile:
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cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)
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print("Created %s/Makefile.KIM_DIR : using %s" % (thisdir,dir))
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# download entire kim-api tarball
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# try first via urllib
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# if fails (probably due to no SSL support), use wget
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print "Downloading kim-api tarball ..."
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print("Downloading kim-api tarball ...")
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try: urllib.urlretrieve(url,"%s/%s.tgz" % (thisdir,version))
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except:
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cmd = "wget %s %s/%s.tgz" % (url,thisdir,version)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if not os.path.isfile("%s/%s.tgz" % (thisdir,version)):
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print "Both urllib.urlretrieve() and wget command failed to download"
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print("Both urllib.urlretrieve() and wget command failed to download")
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sys.exit()
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print "Unpacking kim-api tarball ..."
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print("Unpacking kim-api tarball ...")
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cmd = "cd %s; rm -rf %s; tar zxvf %s.tgz" % (thisdir,version,version)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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if txt[0] != 0: error()
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# configure kim-api
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print "Configuring kim-api ..."
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print("Configuring kim-api ...")
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cmd = "cd %s/%s; ./configure --prefix='%s'" % (thisdir,version,dir)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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# build kim-api
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print "Configuring model : %s" % modelname
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print("Configuring model : %s" % modelname)
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if modelname == "none":
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cmd = "cd %s/%s; make add-examples" % (thisdir,version)
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else:
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if modelname == "OpenKIM":
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print "configuring all OpenKIM models, this will take a while ..."
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print("configuring all OpenKIM models, this will take a while ...")
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cmd = "cd %s/%s; make add-examples; make add-%s" % \
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(thisdir,version,modelname)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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print "Building kim-api ..."
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print("Building kim-api ...")
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cmd = "cd %s/%s; make" % (thisdir,version)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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# install kim-api
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print "Installing kim-api ..."
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print("Installing kim-api ...")
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cmd = "cd %s/%s; make install" % (thisdir,version)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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cmd = "cd %s/%s; make install-set-default-to-v1" %(thisdir,version)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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# remove source files
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print "Removing kim-api source and build files ..."
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print("Removing kim-api source and build files ...")
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cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" % (thisdir,version,version)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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# add a single model (and possibly its driver) to existing KIM installation
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if addflag == 1:
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if addflag:
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# get location of installed kim-api
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if not os.path.isfile("%s/Makefile.KIM_DIR" % thisdir):
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print "kim-api is not installed"
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print("kim-api is not installed")
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error()
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else:
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cmd = "cd %s; make -f Makefile.KIM_DIR print_dir" % thisdir
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dir = commands.getstatusoutput(cmd)[1]
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dir = subprocess.getstatusoutput(cmd)[1]
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# download single model
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# try first via urllib
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# if fails (probably due to no SSL support), use wget
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print "Downloading item tarball ..."
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print("Downloading item tarball ...")
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url = "https://openkim.org/download/%s.tgz" % addmodelname
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try: urllib.urlretrieve(url,"%s/%s.tgz" % (thisdir,addmodelname))
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except:
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cmd = "wget %s %s/%s.tgz" % (url,thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if not os.path.isfile("%s/%s.tgz" % (thisdir,addmodelname)):
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print "Both urllib.urlretrieve() and wget command failed to download"
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print("Both urllib.urlretrieve() and wget command failed to download")
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sys.exit()
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print "Unpacking item tarball ..."
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print("Unpacking item tarball ...")
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cmd = "cd %s; tar zxvf %s.tgz" % (thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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if txt[0] != 0: error()
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print "Building item ..."
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print("Building item ...")
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cmd = "cd %s/%s; make; make install" %(thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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firstRunOutput = txt[1]
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if txt[0] != 0:
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# Error: but first, check to see if it needs a driver
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cmd = "cd %s/%s; make kim-item-type" % (thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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if txt[1] == "ParameterizedModel":
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# Get and install driver
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cmd = "cd %s/%s; make model-driver-name" % (thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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adddrivername = txt[1]
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print "First Installing model driver: %s" % adddrivername
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print("First Installing model driver: %s" % adddrivername)
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cmd = "cd %s; python Install.py -a %s" % (thisdir,adddrivername)
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txt = commands.getstatusoutput(cmd)
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txt = subprocess.getstatusoutput(cmd)
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if txt[0] != 0:
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print firstRunOutput
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print txt[1]
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print(firstRunOutput)
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print(txt[1])
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error()
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else:
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print txt[1]
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print(txt[1])
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cmd = "cd %s; python Install.py -a %s" % (thisdir,addmodelname)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0:
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error()
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else:
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print firstRunOutput
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print(firstRunOutput)
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error()
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else:
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# success
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print firstRunOutput
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print "Removing kim item source and build files ..."
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print(firstRunOutput)
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print("Removing kim item source and build files ...")
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cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" %(thisdir,addmodelname,addmodelname)
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txt = commands.getstatusoutput(cmd)
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print txt[1]
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txt = subprocess.getstatusoutput(cmd)
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print(txt[1])
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if txt[0] != 0: error()
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