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# TODO#!/usr/bin/env python
"""
Install.py tool to download, compile, and setup the pace library
used to automate the steps described in the README file in this dir
"""
from __future__ import print_function
import sys, subprocess
from argparse import ArgumentParser
sys.path.append('..')
from install_helpers import fullpath, geturl, checkmd5sum
# settings
thisdir = fullpath('.')
version = 'v.2021.4.9'
# known checksums for different PACE versions. used to validate the download.
checksums = { \
'v.2021.2.3.upd2' : '8fd1162724d349b930e474927197f20d',
'v.2021.4.9' : '4db54962fbd6adcf8c18d46e1798ceb5',
}
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
# help message
HELP = """
Syntax from src dir: make lib-pace args="-b"
or: make lib-pace args="-b -v version"
Syntax from lib dir: python Install.py -b
or: python Install.py -b -v version
Examples:
make lib-pace args="-b" # install default version of PACE lib
make lib-pace args="-b -v version" # install specified version of PACE lib
"""
pgroup = parser.add_mutually_exclusive_group()
pgroup.add_argument("-b", "--build", action="store_true",
help="download and build base PACE library")
parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
help="set version of PACE library to download and build (default: %s)" % version)
parser.add_argument("-vv", "--verbose", action="store_true",
help="be more verbose about is happening while this script runs")
args = parser.parse_args()
# print help message and exit, if neither build nor path options are given
if not args.build:
parser.print_help()
sys.exit(HELP)
buildflag = args.build
verboseflag = args.verbose
version = args.version
archive_extension = "tar.gz"
url = "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/%s.%s" % (version, archive_extension)
unarchived_folder_name = "lammps-user-pace-%s"%(version)
# download PACE tarball, unpack, build PACE
if buildflag:
# download entire tarball
print("Downloading pace tarball ...")
archive_filename = "%s.%s" % (version, archive_extension)
download_filename = "%s/%s" % (thisdir, archive_filename)
print("Downloading from ",url," to ",download_filename, end=" ")
geturl(url, download_filename)
print(" done")
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version], archive_filename):
sys.exit("Checksum for pace library does not match")
print("Unpacking pace tarball ...")
src_folder = thisdir+"/src"
cmd = 'cd "%s"; rm -rf "%s"; tar -xvf %s; mv %s %s' % (thisdir, src_folder, archive_filename, unarchived_folder_name, src_folder)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
# build
print("Building libpace ...")
cmd = 'make lib -j2'
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
if verboseflag:
print(txt.decode("UTF-8"))
# remove source files
print("Removing pace build files and archive ...")
cmd = 'rm %s; make clean-build' % (download_filename)
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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