Merge pull request #586 from ellio167/kim-install
Refactor lib/kim/Install.py; works with python 3 and 2.7
This commit is contained in:
Axel Kohlmeyer
@ -1,6 +1,6 @@
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#!/usr/bin/env python
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# install.pa tool to setup the kim-api library
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# install.py 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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from __future__ import print_function
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import sys,os,re,subprocess
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@ -8,28 +8,25 @@ try: from urllib.request import urlretrieve as geturl
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except: from urllib import urlretrieve as geturl
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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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Syntax from lib dir: python Install.py -v version -b kim-install-dir kim-name -a kim-name
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Syntax from src dir: make lib-kim args="-v version -b -a kim-name"
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Syntax from lib dir: python Install.py -v version -b -a kim-name
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specify one or more options, order does not matter
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-v = version of KIM API library to use
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default = kim-api-v1.8.2 (current as of June 2017)
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-b = download and build KIM API library with KIM models
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kim-dir = where to install/build the KIM API library
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use "." to install in lib/kim
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kim-name = none to install only the example KIM models
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kim-name = KIM model name (see example below) + examples
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kim-name = OpenKIM to install all models
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from the openkim.org site (this can take 30 minutes or more)
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-b = download and build KIM API library with example Models
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-a = add single KIM model or model driver with kim-name
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to existing KIM API lib (see example below)
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to existing KIM API lib (see example below).
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If kim-name = everything, then rebuild KIM API library with
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all available OpenKIM Models (this implies -b).
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-vv = be more verbose about what is happening while the script runs
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Examples:
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make lib-kim args="-b . none" # install KIM API lib with only example models
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make lib-kim args="-b . Glue_Ercolessi_Adams_Al__MO_324507536345_001" # ditto plus one model
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make lib-kim args="-b . OpenKIM" # install KIM API lib with all models
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make lib-kim args="-b" # install KIM API lib with only example models
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make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001" # Ditto plus one model
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make lib-kim args="-b -a everything" # install KIM API lib with all models
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make lib-kim args="-a EAM_Dynamo_Ackland_W__MO_141627196590_002" # add one model or model driver
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See the list of KIM model drivers here:
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@ -57,7 +54,9 @@ thisdir = os.environ['PWD']
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version = "kim-api-v1.8.2"
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buildflag = False
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everythingflag = False
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addflag = False
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verboseflag = False
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iarg = 0
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while iarg < len(args):
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@ -67,15 +66,19 @@ while iarg < len(args):
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iarg += 2
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elif args[iarg] == "-b":
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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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iarg += 1
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elif args[iarg] == "-a":
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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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if addmodelname == "everything":
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buildflag = True
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everythingflag = True
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addflag = False
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iarg += 2
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elif args[iarg] == "-vv":
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verboseflag = True
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iarg += 1
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else: error()
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thisdir = os.path.abspath(thisdir)
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@ -88,14 +91,14 @@ if buildflag:
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# set install directory
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dir = os.path.join(os.path.abspath(dir), "installed-" + version)
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dir = os.path.join(os.path.abspath(thisdir), "installed-" + version)
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# check to see if an installed kim-api already exists and wipe it out.
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if os.path.isdir(dir):
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print("kim-api is already installed at %s.\nRemoving it for re-install" % dir)
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cmd = "rm -rf %s" % dir
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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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# configure LAMMPS to use kim-api to be installed
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@ -116,44 +119,48 @@ if buildflag:
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geturl(url,"%s/%s.tgz" % (thisdir,version))
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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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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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# configure 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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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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# build kim-api
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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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cmd = "cd %s/%s; make add-examples; make add-%s" % \
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(thisdir,version,modelname)
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subprocess.check_output(cmd,shell=True)
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print("Configuring example Models")
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cmd = "cd %s/%s; make add-examples" % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print (txt.decode("UTF-8"))
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if everythingflag:
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print("Configuring all OpenKIM models, this will take a while ...")
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cmd = "cd %s/%s; make add-OpenKIM" % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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print("Building kim-api ...")
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cmd = "cd %s/%s; make" % (thisdir,version)
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subprocess.check_output(cmd,shell=True)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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# install 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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subprocess.check_output(cmd,shell=True)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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cmd = "cd %s/%s; make install-set-default-to-v1" %(thisdir,version)
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subprocess.check_output(cmd,shell=True)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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# remove source 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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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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# add a single model (and possibly its driver) to existing KIM installation
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@ -166,19 +173,18 @@ if addflag:
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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 = subprocess.check_output(cmd,shell=True)[1]
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dir = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)[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 tarball for %s..." % addmodelname)
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url = "https://openkim.org/download/%s.tgz" % addmodelname
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geturl(url,"%s/%s.tgz" % (thisdir,addmodelname))
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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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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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print("Building item ...")
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cmd = "cd %s/%s; make; make install" %(thisdir,addmodelname)
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@ -187,19 +193,19 @@ if addflag:
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except subprocess.CalledProcessError as e:
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# Error: but first, check to see if it needs a driver
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firstRunOutput = e.output.decode()
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firstRunOutput = e.output.decode("UTF-8")
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cmd = "cd %s/%s; make kim-item-type" % (thisdir,addmodelname)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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txt = txt.decode().strip()
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txt = txt.decode("UTF-8")
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if txt == "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 = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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adddrivername = txt.decode().strip()
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print("First installing model driver: %s" % adddrivername)
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adddrivername = txt.decode("UTF-8").strip()
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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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try:
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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@ -207,6 +213,8 @@ if addflag:
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print(e.output)
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sys.exit()
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if verboseflag: print(txt.decode("UTF-8"))
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# now install the model that needed the driver
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print("Now installing model : %s" % addmodelname)
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@ -216,7 +224,7 @@ if addflag:
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except subprocess.CalledProcessError as e:
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print(e.output)
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sys.exit()
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print(txt.decode())
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print(txt.decode("UTF-8"))
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sys.exit()
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else:
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print(firstRunOutput)
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@ -226,7 +234,7 @@ if addflag:
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# success the first time
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print(txt)
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if verboseflag: print(txt.decode("UTF-8"))
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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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subprocess.check_output(cmd,shell=True)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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