Add install.py and update config for kim lib

lib/kim/Makefile.lammps

@@ -16,7 +16,12 @@
 # Settings that the LAMMPS build will import when this package is installed
 
 
-KIM_CONFIG_HELPER = kim-api-build-config
+
+ifeq ($(wildcard ../../lib/kim/bin/kim-api-build-config),)
+  KIM_CONFIG_HELPER = kim-api-build-config
+else
+  KIM_CONFIG_HELPER = ../../lib/kim/bin/kim-api-build-config
+endif
 ifeq ($(shell $(KIM_CONFIG_HELPER) --version 2> /dev/null),)
   $(error $(KIM_CONFIG_HELPER) utility is not available.  Something is wrong with your KIM API package setup)
 endif

lib/kim/README

@@ -9,13 +9,16 @@ KIM API and he also maintains the code that implements the pair_style
 kim command.
 
 To download, build, and install the KIM API on your system, follow
-these steps.  We are working on scripts that will automate this
-process.
+these steps.  You can use the install.py script to automate these steps.
 
-The KIM API is available for download from "this
-site"_https://openkim.org, namely https://openkim.org.  The tarball
-you download is "kim-api-vX.Y.Z.tgz", which can be unpacked in this
-directory or whereever you wish:
+**Note** The process described below will compile the kim-api using absolute
+paths names.  This means that if you move your lammps directory to a new
+location after compilation the kim-api library will not be able to find some of
+its components.  It is best to recompile after moving the lammps directory.
+
+The KIM API is available for download from "this site"_https://openkim.org,
+namely https://openkim.org.  The tarball you download is "kim-api-vX.Y.Z.tgz",
+which can be unpacked in this directory or whereever you wish:
 
 tar xvfz kim*tgz
 
@@ -41,13 +44,7 @@ $ tar zxvf kim-api-vX.Y.Z.tgz
 
 # get OpenKIM models, setup and compile
 $ cd kim-api-vX.Y.Z
-$ cp Makefile.KIM_Config.example Makefile.KIM_Config
-
-# edit this file as appropriate following the instructions given in
-# INSTALL.  Here, we'll assume you set the 'prefix' variable as
-# follows in order to install the KIM API to your home directory:
-# prefix = $(HOME)/local
-$ vi Makefile.KIM_Config
+$ ./configure --prefix=??????
 
 $ make add-EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_001
 $ make

lib/kim/install.py

@@ -0,0 +1,72 @@
+#!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
+        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)
+"""
+
+def error():
+  print help
+  sys.exit()
+
+# parse args
+
+args = sys.argv
+
+dir = "."
+version = "kim-api-v1.8.2"
+
+iarg = 1
+while iarg < len(args):
+  if args[iarg] == "-v":
+    if iarg+2 > len(args): error()
+    version = args[iarg+1]
+    iarg += 2
+  else: error()
+
+dir = os.path.abspath(dir)
+url = "https://s3.openkim.org/kim-api/%s.tgz" % version
+
+# download and unpack tarball
+
+print "Downloading kim-api tarball ..."
+urllib.urlretrieve(url,"%s/%s.tgz" % (dir,version))
+print "Unpacking kim-api tarball ..."
+cmd = "cd %s; rm -rf %s; tar zxvf %s.tgz" % (dir,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'" % (dir,version,dir)
+txt = commands.getstatusoutput(cmd)
+print txt[1]
+if txt[0] != 0: error()
+
+# build kim-api
+
+print "Building kim-api ..."
+cmd = "cd %s/%s; make" % (dir,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" % (dir,version)
+txt = commands.getstatusoutput(cmd)
+print txt[1]
+if txt[0] != 0: error()
+
+cmd = "cd %s/%s; make install-set-default-to-v1" %(dir,version)
+txt = commands.getstatusoutput(cmd)
+print txt[1]
+if txt[0] != 0: error()