From 775a15b9da58413e076db7e311a3bb53e07b9aac Mon Sep 17 00:00:00 2001 From: "Ryan S. Elliott" Date: Mon, 9 Oct 2017 13:11:16 -0500 Subject: [PATCH] Update lib/kim for kim-api-v1.9.2 --- lib/kim/Install.py | 108 +++++++++------------------------------- lib/kim/Makefile.lammps | 6 +-- 2 files changed, 27 insertions(+), 87 deletions(-) diff --git a/lib/kim/Install.py b/lib/kim/Install.py index aa244ee6ea..0e87388954 100644 --- a/lib/kim/Install.py +++ b/lib/kim/Install.py @@ -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) - txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) - if verboseflag: print(txt.decode("UTF-8")) - # 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")) + 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: - 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) + cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir, addmodelname) + txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) + if verboseflag: print (txt.decode("UTF-8")) diff --git a/lib/kim/Makefile.lammps b/lib/kim/Makefile.lammps index b66d7005a4..d73891d1e2 100644 --- a/lib/kim/Makefile.lammps +++ b/lib/kim/Makefile.lammps @@ -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)