Further work on lib/kim/install.py (b0be8b24) · Commits · 郑智淋 / lammps

lib/kim/.gitignore

0 → 100644

+1 −0

Original line number	Diff line number	Diff line
		/Makefile.KIM_DIR

lib/kim/Makefile.lammps

+3 −2

Original line number	Diff line number	Diff line
		@@ -16,11 +16,12 @@
		# Settings that the LAMMPS build will import when this package is installed


		include ./Makefile.KIM_DIR

		ifeq ($(wildcard ../../lib/kim/bin/kim-api-build-config),)
		ifeq ($(wildcard $(KIM_INSTALL_DIR)/bin/kim-api-build-config),)
		KIM_CONFIG_HELPER = kim-api-build-config
		else
		KIM_CONFIG_HELPER = ../../lib/kim/bin/kim-api-build-config
		KIM_CONFIG_HELPER = $(KIM_INSTALL_DIR)/bin/kim-api-build-config
		endif
		ifeq ($(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)

lib/kim/install.py

+103 −36

Original line number	Diff line number	Diff line
		@@ -6,10 +6,20 @@
		import sys,os,re,urllib,commands

		help = """
		Syntax: install.py -v version
		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():
		@@ -20,53 +30,110 @@ def error():

		args = sys.argv

		dir = "."
		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)
		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)
		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" % (dir,version))
		urllib.urlretrieve(url,"%s/%s.tgz" % (thisdir,version))
		print "Unpacking kim-api tarball ..."
		cmd = "cd %s; rm -rf %s; tar zxvf %s.tgz" % (dir,version,version)
		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'" % (dir,version,dir)
		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" % (dir,version)
		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" % (dir,version)
		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()

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

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