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lammps
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add support for automated checksumming of downloaded sources to kim api conventional build

This commit is contained in:
Axel Kohlmeyer 2019-08-16 12:43:37 -04:00
parent 42711245a2
commit b72215fe02
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 26 additions and 10 deletions
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36
lib/kim/Install.py
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@ -10,7 +10,7 @@ import sys, os, subprocess, shutil
from argparse import ArgumentParser
sys.path.append('..')
from install_helpers import fullpath, geturl
from install_helpers import fullpath, geturl, checkmd5sum
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
@ -18,7 +18,15 @@ parser = ArgumentParser(prog='Install.py',
# settings
thisdir = fullpath('.')
version = "kim-api-2.1.3"
version = "2.1.3"
# known checksums for different KIM-API versions. used to validate the download.
checksums = { \
'2.1.2' : '6ac52e14ef52967fc7858220b208cba5', \
'2.1.3' : '6ee829a1bbba5f8b9874c88c4c4ebff8', \
}
# help message
@ -50,7 +58,7 @@ pgroup.add_argument("-n", "--nobuild", action="store_true",
help="use the previously downloaded and compiled base KIM API.")
pgroup.add_argument("-p", "--path",
help="specify location of existing KIM API installation.")
parser.add_argument("-v", "--version", default=version,
parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
help="set version of KIM API library to download and build (default: %s)" % version)
parser.add_argument("-a", "--add",
help="add single KIM model or model driver. If adding 'everything', then all available OpenKIM models are added (may take a long time)")
@ -73,6 +81,7 @@ if addflag and addmodelname == "everything":
everythingflag = True
buildflag = True
verboseflag = args.verbose
version = args.version
if pathflag:
buildflag = False
@ -81,7 +90,7 @@ if pathflag:
sys.exit("KIM API path %s does not exist" % kimdir)
kimdir = fullpath(kimdir)
url = "https://s3.openkim.org/kim-api/%s.txz" % version
url = "https://s3.openkim.org/kim-api/kim-api-%s.txz" % version
# set KIM API directory
@ -115,21 +124,28 @@ if buildflag:
# download entire kim-api tarball
print("Downloading kim-api tarball ...")
geturl(url, "%s/%s.txz" % (thisdir, version))
filename = "kim-api-%s.txz" % version
geturl(url, "%s/%s" % (thisdir, filename))
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], filename):
sys.exit("Checksum for KIM-API library does not match")
print("Unpacking kim-api tarball ...")
cmd = 'cd "%s"; rm -rf "%s"; tar -xJvf %s.txz' % (thisdir, version, version)
cmd = 'cd "%s"; rm -rf "kim-api-%s"; tar -xJvf %s' % (thisdir, version, filename)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
# configure kim-api
print("Configuring kim-api ...")
cmd = 'cd "%s/%s" && mkdir build && cd build && cmake .. -DCMAKE_INSTALL_PREFIX="%s" -DCMAKE_BUILD_TYPE=Release' % (thisdir,version,kimdir)
cmd = 'cd "%s/kim-api-%s" && mkdir build && cd build && cmake .. -DCMAKE_INSTALL_PREFIX="%s" -DCMAKE_BUILD_TYPE=Release' % (thisdir,version,kimdir)
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
if verboseflag: print(txt.decode("UTF-8"))
# build kim-api
print("Building kim-api ...")
cmd = 'cd "%s/%s/build" && make -j2' % (thisdir, version)
cmd = 'cd "%s/kim-api-%s/build" && make -j2' % (thisdir, version)
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
if verboseflag:
print(txt.decode("UTF-8"))
@ -137,7 +153,7 @@ if buildflag:
# install kim-api
print("Installing kim-api ...")
cmd = 'cd "%s/%s/build" && make -j2 install' % (thisdir, version)
cmd = 'cd "%s/kim-api-%s/build" && make -j2 install' % (thisdir, version)
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
if verboseflag:
print(txt.decode("UTF-8"))
@ -145,7 +161,7 @@ if buildflag:
# remove source files
print("Removing kim-api source and build files ...")
cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir, version, version)
cmd = 'cd "%s"; rm -rf kim-api-%s; rm -rf kim-api-%s.txz' % (thisdir, version, version)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
# add all OpenKIM models, if desired