#!/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 parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script") # settings version = "2.1.4" # 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 = { \ '2.1.4' : '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 print("Downloading n2p2 ...") geturl(url, filename) # verify downloaded archive integrity via md5 checksum, if known. if version in checksums: if not checkmd5sum(checksums[version], filename): sys.exit("Checksum for n2p2 library does not match") 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')