131 lines
4.5 KiB
Python
131 lines
4.5 KiB
Python
#!/usr/bin/env python
|
|
|
|
"""
|
|
Install.py tool to download, unpack, build, and link to the n2p2 library
|
|
used to automate the steps described in the README file in this dir
|
|
"""
|
|
|
|
from __future__ import print_function
|
|
import sys, os, platform, subprocess, shutil
|
|
from argparse import ArgumentParser
|
|
|
|
sys.path.append('..')
|
|
from install_helpers import get_cpus, fullpath, geturl, checkmd5sum, getfallback
|
|
|
|
parser = ArgumentParser(prog='Install.py',
|
|
description="LAMMPS library build wrapper script")
|
|
|
|
# settings
|
|
|
|
version = "2.2.0"
|
|
|
|
# help message
|
|
|
|
HELP = """
|
|
Syntax from src dir: make lib-hdnnp args="-b"
|
|
or: make lib-hdnnp args="-b -v 2.1.4"
|
|
or: make lib-hdnnp args="-p /usr/local/n2p2"
|
|
|
|
Syntax from lib dir: python Install.py -b -v 2.1.4
|
|
or: python Install.py -b
|
|
or: python Install.py -p /usr/local/n2p2
|
|
|
|
Example:
|
|
|
|
make lib-hdnnp args="-b" # download/build in lib/hdnnp/n2p2
|
|
make lib-hdnnp args="-p $HOME/n2p2" # use existing n2p2 installation in $HOME/n2p2
|
|
"""
|
|
|
|
# known checksums for different n2p2 versions. used to validate the download.
|
|
checksums = { \
|
|
'2.2.0' : 'a2d9ab7f676b3a74a324fc1eda0a911d', \
|
|
'2.1.4' : '9595b066636cd6b90b0fef93398297a5', \
|
|
}
|
|
|
|
# parse and process arguments
|
|
|
|
pgroup = parser.add_mutually_exclusive_group()
|
|
pgroup.add_argument("-b", "--build", action="store_true",
|
|
help="download and build the n2p2 library")
|
|
pgroup.add_argument("-p", "--path",
|
|
help="specify folder of existing n2p2 installation")
|
|
parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
|
|
help="set version of n2p2 to download and build (default: %s)" % version)
|
|
|
|
args = parser.parse_args()
|
|
|
|
# print help message and exit, if neither build nor path options are given
|
|
if not args.build and not args.path:
|
|
parser.print_help()
|
|
sys.exit(HELP)
|
|
|
|
buildflag = args.build
|
|
pathflag = args.path is not None
|
|
n2p2path = args.path
|
|
|
|
homepath = fullpath('.')
|
|
homedir = "%s/n2p2" % (homepath)
|
|
|
|
if pathflag:
|
|
if not os.path.isdir(n2p2path):
|
|
sys.exit("n2p2 path %s does not exist" % n2p2path)
|
|
homedir = fullpath(n2p2path)
|
|
if not os.path.isfile(os.path.join(homedir, 'include', 'InterfaceLammps.h')):
|
|
sys.exit("No n2p2 installation found at %s" % n2p2path)
|
|
|
|
# download and unpack n2p2 tarball
|
|
|
|
if buildflag:
|
|
url = "https://github.com/CompPhysVienna/n2p2/archive/v%s.tar.gz" % (version)
|
|
filename = "n2p2-%s.tar.gz" % version
|
|
fallback = getfallback('n2p2', url)
|
|
print("Downloading n2p2 from", url)
|
|
try:
|
|
geturl(url, filename)
|
|
except:
|
|
geturl(fallback, filename)
|
|
|
|
# verify downloaded archive integrity via md5 checksum, if known.
|
|
if version in checksums:
|
|
if not checkmd5sum(checksums[version], filename):
|
|
print("Checksum did not match. Trying fallback URL", fallback)
|
|
geturl(fallback, filename)
|
|
if not checkmd5sum(checksums[version], filename):
|
|
sys.exit("Checksum for n2p2 library does not match for fallback, too.")
|
|
|
|
print("Unpacking n2p2 source tarball ...")
|
|
if os.path.exists("%s/n2p2-%s" % (homepath, version)):
|
|
shutil.rmtree("%s/n2p2-%s" % (homepath, version))
|
|
if os.path.exists(homedir):
|
|
shutil.rmtree(homedir)
|
|
cmd = 'cd "%s"; tar -xzvf %s' % (homepath, filename)
|
|
subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
|
|
os.remove(os.path.join(homepath, filename))
|
|
|
|
# build n2p2
|
|
print("Building n2p2 ...")
|
|
n_cpus = get_cpus()
|
|
cmd = 'unset MAKEFLAGS MAKELEVEL MAKEOVERRIDES MFLAGS && cd %s/n2p2-%s/src && make -j%d libnnpif' % (homepath, version, n_cpus)
|
|
try:
|
|
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
|
|
print(txt.decode('UTF-8'))
|
|
except subprocess.CalledProcessError as e:
|
|
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
|
|
sys.exit(1)
|
|
|
|
# set correct homedir for linking step
|
|
homedir = "%s/n2p2-%s" % (homepath, version)
|
|
|
|
# create 2 links in lib/hdnnp to n2p2 installation dir
|
|
|
|
print("Creating links to n2p2 include and lib files")
|
|
if os.path.isfile("includelink") or os.path.islink("includelink"):
|
|
os.remove("includelink")
|
|
if os.path.isfile("liblink") or os.path.islink("liblink"):
|
|
os.remove("liblink")
|
|
if os.path.isfile("Makefile.lammps") or os.path.islink("Makefile.lammps"):
|
|
os.remove("Makefile.lammps")
|
|
os.symlink(os.path.join(homedir, 'include'), 'includelink')
|
|
os.symlink(os.path.join(homedir, 'lib'), 'liblink')
|
|
os.symlink(os.path.join(homedir, 'lib', 'Makefile.lammps-extra'), 'Makefile.lammps')
|