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lammps/lib/kim/install.py
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install.py
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#!usr/local/python
# install.py tool to setup the kim-api library
# used to automate the steps described in the README file in this dir
import sys,os,re,urllib,commands
help = """
Syntax: install.py -v version -c kim-dir -b kim-model-name -a kim-name
specify one or more options, order does not matter
-v = version of kim-api to download and work with
default = kim-api-v1.8.2 (current as of June 2017)
-c = create Makefile.KIM_DIR within lammps lib/kim to configure lammps
for use with the kim-api library installed at "kim-dir" (absolute
path). default = this dir
-b = build kim-api and kim model where kim-model-name can be a specific
openkim.org model name (such as
"EAM_Dynamo_Ackland_W__MO_141627196590_002") or the keyword
"OpenKIM" to install all compatible models from the openkim.org
site.
-a = add kim-name openkim.org item (model driver or model) to existing
kim-api instalation.
"""
def error():
print help
sys.exit()
# parse args
args = sys.argv
thisdir = os.environ['PWD']
dir = thisdir
version = "kim-api-v1.8.2"
dirflag = 0
buildflag = 0
addflag = 0
iarg = 1
while iarg < len(args):
if args[iarg] == "-v":
if iarg+2 > len(args): error()
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-c":
dirflag = 1
if iarg+2 > len(args): error()
dir = args[iarg+1]
iarg += 2
elif args[iarg] == "-b":
buildflag = 1
if iarg+2 > len(args): error()
modelname = args[iarg+1]
iarg += 2
elif args[iarg] == "-a":
addflag = 1
if iarg+2 > len(args): error()
addmodelname = args[iarg+1]
iarg += 2
else: error()
thisdir = os.path.abspath(thisdir)
dir = os.path.abspath(dir)
url = "https://s3.openkim.org/kim-api/%s.tgz" % version
# download and unpack tarball
if not os.path.isfile("%s/Makefile.KIM_DIR" % thisdir):
open("%s/Makefile.KIM_DIR" % thisdir, 'w').write("KIM_INSTALL_DIR=%s" % dir)
open("%s/Makefile.KIM_Config" % thisdir, 'w').write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)
print "Created %s/Makefile.KIM_DIR : using %s" % (thisdir,dir)
else:
if dirflag == 1:
open("%s/Makefile.KIM_DIR" % thisdir, 'w').write("KIM_INSTALL_DIR=%s" % dir)
open("%s/Makefile.KIM_Config" % thisdir, 'w').write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)
print "Updated %s/Makefile.KIM_DIR : using %s" % (thisdir,dir)
if buildflag == 1:
# download kim-api
print "Downloading kim-api tarball ..."
urllib.urlretrieve(url,"%s/%s.tgz" % (thisdir,version))
print "Unpacking kim-api tarball ..."
cmd = "cd %s; rm -rf %s; tar zxvf %s.tgz" % (thisdir,version,version)
txt = commands.getstatusoutput(cmd)
if txt[0] != 0: error()
# configure kim-api
print "Configuring kim-api ..."
cmd = "cd %s/%s; ./configure --prefix='%s'" % (thisdir,version,dir)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
# build kim-api
print "Configuring model : %s" % modelname
cmd = "cd %s/%s; make add-%s" % (thisdir,version,modelname)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
#
print "Building kim-api ..."
cmd = "cd %s/%s; make" % (thisdir,version)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
# install kim-api
print "Installing kim-api ..."
cmd = "cd %s/%s; make install" % (thisdir,version)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
#
cmd = "cd %s/%s; make install-set-default-to-v1" %(thisdir,version)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
# remove source files
print "Removing kim-api source and build files ..."
cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" % (thisdir,version,version)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
if addflag == 1:
# download model
url = "https://openkim.org/download/%s.tgz" % addmodelname
print "Downloading item tarball ..."
urllib.urlretrieve(url,"%s/%s.tgz" % (thisdir,addmodelname))
print "Unpacking item tarball ..."
cmd = "cd %s; tar zxvf %s.tgz" % (thisdir,addmodelname)
txt = commands.getstatusoutput(cmd)
if txt[0] != 0: error()
#
print "Building item ..."
cmd = "cd %s/%s; make; make install" %(thisdir,addmodelname)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
#
print "Removing kim item source and build files ..."
cmd = "cd %s; rm -rf %s; rm -rf %s.tgz" %(thisdir,addmodelname,addmodelname)
txt = commands.getstatusoutput(cmd)
print txt[1]
if txt[0] != 0: error()
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