Commit d2f76ae3 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #586 from ellio167/kim-install 

Refactor lib/kim/Install.py; works with python 3 and 2.7
parents 355aad96 84065dde

lib/kim/Install.py

+54 −46
Original line number Diff line number Diff line 
#!/usr/bin/env python



# install.pa tool to setup the kim-api library

# install.py tool to setup the kim-api library

# used to automate the steps described in the README file in this dir

from __future__ import print_function

import sys,os,re,subprocess
@@ -8,28 +8,25 @@ try: from urllib.request import urlretrieve as geturl 
except: from urllib import urlretrieve as geturl



help = """

Syntax from src dir: make lib-kim args="-v version -b kim-install-dir kim-name -a kim-name"

Syntax from lib dir: python Install.py -v version -b kim-install-dir kim-name -a kim-name

Syntax from src dir: make lib-kim args="-v version -b -a kim-name"

Syntax from lib dir: python Install.py -v version -b -a kim-name



specify one or more options, order does not matter



  -v = version of KIM API library to use

       default = kim-api-v1.8.2 (current as of June 2017)

  -b = download and build KIM API library with KIM models

       kim-dir = where to install/build the KIM API library

         use "." to install in lib/kim

       kim-name = none to install only the example KIM models

       kim-name = KIM model name (see example below) + examples

       kim-name = OpenKIM to install all models

         from the openkim.org site (this can take 30 minutes or more)

  -b = download and build KIM API library with example Models

  -a = add single KIM model or model driver with kim-name

       to existing KIM API lib (see example below)

       to existing KIM API lib (see example below).

       If kim-name = everything, then rebuild KIM API library with

       all available OpenKIM Models (this implies -b).

  -vv = be more verbose about what is happening while the script runs



Examples:



make lib-kim args="-b . none"   # install KIM API lib with only example models

make lib-kim args="-b . Glue_Ercolessi_Adams_Al__MO_324507536345_001"  # ditto plus one model

make lib-kim args="-b . OpenKIM"   # install KIM API lib with all models

make lib-kim args="-b"   # install KIM API lib with only example models

make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001"  # Ditto plus one model

make lib-kim args="-b -a everything"   # install KIM API lib with all models

make lib-kim args="-a EAM_Dynamo_Ackland_W__MO_141627196590_002"   # add one model or model driver



See the list of KIM model drivers here:
@@ -57,7 +54,9 @@ thisdir = os.environ['PWD'] 
version = "kim-api-v1.8.2"



buildflag = False

everythingflag = False

addflag = False

verboseflag = False



iarg = 0

while iarg < len(args):
@@ -67,15 +66,19 @@ while iarg < len(args): 
    iarg += 2

  elif args[iarg] == "-b":

    buildflag = True

    if iarg+3 > len(args): error()

    dir = args[iarg+1]

    modelname = args[iarg+2]

    iarg += 3

    iarg += 1

  elif args[iarg] == "-a":

    addflag = True

    if iarg+2 > len(args): error()

    addmodelname = args[iarg+1]

    if addmodelname == "everything":

      buildflag = True

      everythingflag = True

      addflag = False

    iarg += 2

  elif args[iarg] == "-vv":

    verboseflag = True

    iarg += 1

  else: error()



thisdir = os.path.abspath(thisdir)
@@ -88,14 +91,14 @@ if buildflag: 


  # set install directory



  dir = os.path.join(os.path.abspath(dir), "installed-" + version)

  dir = os.path.join(os.path.abspath(thisdir), "installed-" + version)



  # check to see if an installed kim-api already exists and wipe it out.



  if os.path.isdir(dir):

    print("kim-api is already installed at %s.\nRemoving it for re-install" % dir)

    cmd = "rm -rf %s" % dir

    subprocess.check_output(cmd,shell=True)

    subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)



  # configure LAMMPS to use kim-api to be installed
@@ -116,44 +119,48 @@ if buildflag: 
  geturl(url,"%s/%s.tgz" % (thisdir,version))

  print("Unpacking kim-api tarball ...")

  cmd = "cd %s; rm -rf %s; tar zxvf %s.tgz" % (thisdir,version,version)

  subprocess.check_output(cmd,shell=True)

  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)



  # configure kim-api



  print("Configuring kim-api ...")

  cmd = "cd %s/%s; ./configure --prefix='%s'" % (thisdir,version,dir)

  subprocess.check_output(cmd,shell=True)

  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)



  # build kim-api



  print("Configuring model : %s" % modelname)

  if modelname == "none":

  print("Configuring example Models")

  cmd = "cd %s/%s; make add-examples" % (thisdir,version)

  else:

    if modelname == "OpenKIM":

      print("configuring all OpenKIM models, this will take a while ...")

    cmd = "cd %s/%s; make add-examples; make add-%s" % \

        (thisdir,version,modelname)

  subprocess.check_output(cmd,shell=True)

  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

  if verboseflag: print (txt.decode("UTF-8"))



  if everythingflag:

    print("Configuring all OpenKIM models, this will take a while ...")

    cmd = "cd %s/%s; make add-OpenKIM" % (thisdir,version)

    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

    if verboseflag: print(txt.decode("UTF-8"))



  print("Building kim-api ...")

  cmd = "cd %s/%s; make" % (thisdir,version)

  subprocess.check_output(cmd,shell=True)

  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

  if verboseflag: print(txt.decode("UTF-8"))



  # install kim-api



  print("Installing kim-api ...")

  cmd = "cd %s/%s; make install" % (thisdir,version)

  subprocess.check_output(cmd,shell=True)

  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

  if verboseflag: print(txt.decode("UTF-8"))



  cmd = "cd %s/%s; make install-set-default-to-v1" %(thisdir,version)

  subprocess.check_output(cmd,shell=True)

  txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

  if verboseflag: print(txt.decode("UTF-8"))



  # remove source files



  print("Removing kim-api source and build files ...")

  cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" % (thisdir,version,version)

  subprocess.check_output(cmd,shell=True)

  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)



# add a single model (and possibly its driver) to existing KIM installation
@@ -166,19 +173,18 @@ if addflag: 
    error()

  else:

    cmd = "cd %s; make -f Makefile.KIM_DIR print_dir" % thisdir

    dir = subprocess.check_output(cmd,shell=True)[1]

    dir = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)[1]



  # download single model

  # try first via urllib

  # if fails (probably due to no SSL support), use wget



  print("Downloading item tarball ...")

  print("Downloading tarball for %s..." % addmodelname)

  url = "https://openkim.org/download/%s.tgz" % addmodelname

  geturl(url,"%s/%s.tgz" % (thisdir,addmodelname))



  print("Unpacking item tarball ...")

  cmd = "cd %s; tar zxvf %s.tgz" % (thisdir,addmodelname)

  subprocess.check_output(cmd,shell=True)

  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)



  print("Building item ...")

  cmd = "cd %s/%s; make; make install" %(thisdir,addmodelname)
@@ -187,19 +193,19 @@ if addflag: 
  except subprocess.CalledProcessError as e:



    # Error: but first, check to see if it needs a driver

    firstRunOutput = e.output.decode()

    firstRunOutput = e.output.decode("UTF-8")



    cmd = "cd %s/%s; make kim-item-type" % (thisdir,addmodelname)

    txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

    txt = txt.decode().strip()

    txt = txt.decode("UTF-8")

    if txt == "ParameterizedModel":



      # Get and install driver



      cmd = "cd %s/%s; make model-driver-name" % (thisdir,addmodelname)

      txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

      adddrivername = txt.decode().strip()

      print("First installing model driver: %s" % adddrivername)

      adddrivername = txt.decode("UTF-8").strip()

      print("First installing model driver: %s..." % adddrivername)

      cmd = "cd %s; python Install.py -a %s" % (thisdir,adddrivername)

      try:

        txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
@@ -207,6 +213,8 @@ if addflag: 
        print(e.output)

        sys.exit()



      if verboseflag: print(txt.decode("UTF-8"))



      # now install the model that needed the driver



      print("Now installing model : %s" % addmodelname)
@@ -216,7 +224,7 @@ if addflag: 
      except subprocess.CalledProcessError as e:

        print(e.output)

        sys.exit()

      print(txt.decode())

      print(txt.decode("UTF-8"))

      sys.exit()

    else:

      print(firstRunOutput)
@@ -226,7 +234,7 @@ if addflag: 


  # success the first time



  print(txt)

  if verboseflag: print(txt.decode("UTF-8"))

  print("Removing kim item source and build files ...")

  cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" %(thisdir,addmodelname,addmodelname)

  subprocess.check_output(cmd,shell=True)
 
  subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

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