Commit 23ca0099 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

more updates to kim/Install.py to restore missing functionality and align with other scripts 

- build into local directory to replace existing installation is now default
- add wrapper function that calls curl in case python package has not ssl support
- have to specify -n flag to avoid wiping out the existing installation
- can specify -p to point to an existing kim-api installation (implies -n)
parent 59ac6ef5

lib/kim/.gitignore

+1 −0
Original line number Diff line number Diff line 
/Makefile.KIM_DIR

/Makefile.KIM_Config

/installed-kim-api-*

lib/kim/Install.py

+69 −33
Original line number Diff line number Diff line
@@ -4,18 +4,30 @@ 
# used to automate the steps described in the README file in this dir

from __future__ import print_function

import sys,os,re,subprocess



# transparently use either urllib or an external tool

try:

  import ssl

  try: from urllib.request import urlretrieve as geturl

  except: from urllib import urlretrieve as geturl

except:

  def geturl(url,fname):

    cmd = "curl -o %s %s" % (fname,url)

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

    return txt



help = """

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

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

Syntax from lib dir: python Install.py -v version  -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 example Models

  -b = download and build base KIM API library with example Models (default)

       this will delete any previous installation in the current folder

  -n = do NOT download and build base KIM API library. Use an existing installation

  -p = specify location of KIM API installation (implies -n)

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

       to existing KIM API lib (see example below).

       If kim-name = everything, then rebuild KIM API library with
@@ -24,10 +36,10 @@ specify one or more options, order does not matter 


Examples:



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

make lib-kim           # install KIM API lib with only example models

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

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

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



See the list of KIM model drivers here:

https://openkim.org/kim-items/model-drivers/alphabetical
@@ -44,19 +56,25 @@ def error(): 
  print(help)

  sys.exit()



# expand to full path name

# process leading '~' or relative path



def fullpath(path):

  return os.path.abspath(os.path.expanduser(path))



# parse args



args = sys.argv[1:]

nargs = len(args)

if nargs == 0: error()



thisdir = os.environ['PWD']

version = "kim-api-v1.8.2"



buildflag = False

buildflag = True

everythingflag = False

addflag = False

verboseflag = False

pathflag = False



iarg = 0

while iarg < len(args):
@@ -67,6 +85,15 @@ while iarg < len(args): 
  elif args[iarg] == "-b":

    buildflag = True

    iarg += 1

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

    buildflag = False

    iarg += 1

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

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

    kimdir = fullpath(args[iarg+1])

    pathflag = True

    buildflag = False

    iarg += 2

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

    addflag = True

    if iarg+2 > len(args): error()
@@ -84,34 +111,49 @@ while iarg < len(args): 
thisdir = os.path.abspath(thisdir)

url = "https://s3.openkim.org/kim-api/%s.tgz" % version



# download KIM tarball, unpack, build KIM

# either in lib/kim or user-requested location

# set KIM API directory



if buildflag:

if pathflag:

  if not os.path.isdir(kimdir):

    print("\nkim-api is not installed at %s" % kimdir)

    error()



  # set install directory

  # configure LAMMPS to use existing kim-api installation

  with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:

    mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)

    mkfile.write(".DUMMY: print_dir\n\n")

    mkfile.write("print_dir:\n")

    mkfile.write("	@printf $(KIM_INSTALL_DIR)\n")



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

  with open("%s/Makefile.KIM_Config" % thisdir, 'w') as cfgfile:

    cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % kimdir)



  print("Created %s/Makefile.KIM_DIR\n  using %s" % (thisdir,kimdir))

else:

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



# download KIM tarball, unpack, build KIM

if buildflag:



  # 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

  if os.path.isdir(kimdir):

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

    cmd = "rm -rf %s" % kimdir

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



  # configure LAMMPS to use kim-api to be installed



  with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:

    mkfile.write("KIM_INSTALL_DIR=%s\n\n" % dir)

    mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)

    mkfile.write(".DUMMY: print_dir\n\n")

    mkfile.write("print_dir:\n")

    mkfile.write("	@printf $(KIM_INSTALL_DIR)\n")



  with open("%s/Makefile.KIM_Config" % thisdir, 'w') as cfgfile:

    cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)

    cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % kimdir)



  print("Created %s/Makefile.KIM_DIR : using %s" % (thisdir,dir))

  print("Created %s/Makefile.KIM_DIR\n  using %s" % (thisdir,kimdir))



  # download entire kim-api tarball
@@ -124,7 +166,7 @@ if buildflag: 
  # configure kim-api



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

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

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

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



  # build kim-api
@@ -166,17 +208,11 @@ if buildflag: 


if addflag:



  # get location of installed kim-api



  if not os.path.isfile("%s/Makefile.KIM_DIR" % thisdir):

    print("kim-api is not installed")

  if not os.path.isdir(kimdir):

    print("\nkim-api is not installed")

    error()

  else:

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

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



  # download single model

  # try first via urllib



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

  url = "https://openkim.org/download/%s.tgz" % addmodelname
@@ -206,7 +242,7 @@ if addflag: 
      txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

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

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

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

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

      try:

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

      except subprocess.CalledProcessError as e:
@@ -218,7 +254,7 @@ if addflag: 
      # now install the model that needed the driver



      print("Now installing model : %s" % addmodelname)

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

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

      try:

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

      except subprocess.CalledProcessError as e:

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