Merge pull request #685 from ellio167/kim-api-v1.9.2 (d3ef4bd5) · Commits · 郑智淋 / lammps

lib/kim/Install.py

+24 −84

Original line number	Diff line number	Diff line
		@@ -21,7 +21,7 @@ Syntax from lib dir: python Install.py -b -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)
		default = kim-api-v1.9.2 (current as of Oct 2017)
		-b = download and build base KIM API library with example Models
		this will delete any previous installation in the current folder
		-n = do NOT download and build base KIM API library.
		@@ -109,7 +109,7 @@ nargs = len(args)
		if nargs == 0: error()

		thisdir = os.environ['PWD']
		version = "kim-api-v1.8.2"
		version = "kim-api-v1.9.2"

		buildflag = False
		everythingflag = False
		@@ -150,7 +150,7 @@ while iarg < len(args):
		else: error()

		thisdir = os.path.abspath(thisdir)
		url = "https://s3.openkim.org/kim-api/%s.tgz" % version
		url = "https://s3.openkim.org/kim-api/%s.txz" % version

		# set KIM API directory

		@@ -199,9 +199,9 @@ if buildflag:
		# download entire kim-api tarball

		print("Downloading kim-api tarball ...")
		geturl(url,"%s/%s.tgz" % (thisdir,version))
		geturl(url,"%s/%s.txz" % (thisdir,version))
		print("Unpacking kim-api tarball ...")
		cmd = 'cd "%s"; rm -rf "%s"; tar -xzvf %s.tgz' % (thisdir,version,version)
		cmd = 'cd "%s"; rm -rf "%s"; tar -xJvf %s.txz' % (thisdir,version,version)
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

		# configure kim-api
		@@ -211,18 +211,6 @@ if buildflag:
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

		# build kim-api

		print("Configuring example Models")
		cmd = 'cd "%s/%s"; make add-examples' % (thisdir,version)
		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)
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		@@ -235,18 +223,28 @@ if buildflag:
		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)
		# remove source files

		print("Building and installing example Models")
		cmd = 'cd "%s/%s/examples"; make model-drivers-all-system' % (thisdir,version)
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		if verboseflag: print (txt.decode("UTF-8"))
		cmd = 'cd "%s/%s/examples"; make models-all-system' % (thisdir,version)
		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)
		cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir,version,version)
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

		# add a single model (and possibly its driver) to existing KIM installation
		# add all OpenKIM models, if desired
		if everythingflag:
		print("Adding all OpenKIM models, this will take a while ...")
		cmd = '%s/bin/kim-api-v1-collections-management install system OpenKIM' % (kimdir)
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		if verboseflag: print(txt.decode("UTF-8"))

		# add single OpenKIM model
		if addflag:

		if not os.path.isdir(kimdir):
		@@ -254,64 +252,6 @@ if addflag:
		error()

		# download single model

		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 -xzvf %s.tgz' % (thisdir,addmodelname)
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

		print("Building item ...")
		cmd = 'cd "%s/%s"; make; make install' %(thisdir,addmodelname)
		try:
		cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir, addmodelname)
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		except subprocess.CalledProcessError as e:

		# Error: but first, check to see if it needs a driver
		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("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("UTF-8").strip()
		print("First installing model driver: %s..." % 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:
		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)
		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:
		print(e.output)
		sys.exit()
		print(txt.decode("UTF-8"))
		sys.exit()
		else:
		print(firstRunOutput)
		print("Error, unable to build and install OpenKIM item: %s" \
		% addmodelname)
		sys.exit()

		# success the first time

		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,stderr=subprocess.STDOUT,shell=True)

lib/kim/Makefile.lammps

+3 −3

Original line number	Diff line number	Diff line
		@@ -18,10 +18,10 @@

		include ../../lib/kim/Makefile.KIM_DIR

		ifeq ($(wildcard $(KIM_INSTALL_DIR)/bin/kim-api-build-config),)
		KIM_CONFIG_HELPER = kim-api-build-config
		ifeq ($(wildcard $(KIM_INSTALL_DIR)/bin/kim-api-v1-build-config),)
		KIM_CONFIG_HELPER = kim-api-v1-build-config
		else
		KIM_CONFIG_HELPER = $(KIM_INSTALL_DIR)/bin/kim-api-build-config
		KIM_CONFIG_HELPER = $(KIM_INSTALL_DIR)/bin/kim-api-v1-build-config
		endif
		ifeq ($(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)

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