# 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.2021.10.25.fix2'
# known checksums for different PACE versions. used to validate the download.
checksums = { \
'v.2021.2.3.upd2' : '8fd1162724d349b930e474927197f20d',
'v.2021.4.9' : '4db54962fbd6adcf8c18d46e1798ceb5',
'v.2021.9.28' : 'f98363bb98adc7295ea63974738c2a1b',
'v.2021.10.25' : 'a2ac3315c41a1a4a5c912bcb1bc9c5cc',
'v.2021.10.25.fix': 'e0572de57039d4afedefb25707b6ceae',
'v.2021.10.25.fix2': '32394d799bc282bb57696c78c456e64f'
}
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
homepath = "."
buildflag = False
pathflag = False
suffixflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg+2 > nargs: error(help=help)
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
plumedpath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-m":
if iarg+2 > nargs: error(help=help)
mode = args[iarg+1]
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error(help=help)
homepath = fullpath(homepath)
homedir = "%s/plumed2" % (homepath)
if (pathflag):
"--path",
help="specify folder of existing Eigen installation")
parser.add_argument(
"-v",
"--version",
default=version,
help="set version of Eigen 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)
homepath = fullpath(".")
eigenpath = os.path.join(homepath, "eigen3")
buildflag = args.build
pathflag = args.path is not None
version = args.version
if pathflag:
eigenpath = args.path
if not os.path.isdir(eigenpath):
sys.exit("Eigen path %s does not exist" % eigenpath)
eigenpath = fullpath(eigenpath)
# download and unpack Eigen tarball
# use glob to find name of dir it unpacks to
"suffix of a Makefile.lammps.* file used for linking LAMMPS with this library"
)
parser.add_argument(
"-v",
"--version",
default=version,
help="set version of LATTE 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)
homepath = fullpath(".")
buildflag = args.build
pathflag = args.path is not None
version = args.version
suffixflag = args.machine is not None
suffix = args.machine
if pathflag:
lattedir = args.path
if not os.path.isdir(lattedir):
sys.exit("LATTE path %s does not exist" % lattedir)
lattedir = fullpath(lattedir)
homedir = "LATTE-%s" % version
help="specify folder of existing ScaFaCoS installation")
parser.add_argument("-v", "--version", default=version,
help="set version of ScaFaCoS 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
version = args.version
homepath = fullpath(".")
scafacospath = os.path.join(homepath, "scafacos-%s" % version)
if pathflag:
scafacospath = args.path
if not os.path.isdir(os.path.join(scafacospath, "include")):
sys.exit("ScaFaCoS include path for %s does not exist" % scafacospath)
if (not os.path.isdir(os.path.join(scafacospath, "lib64"))) \
and (not os.path.isdir(os.path.join(scafacospath, "lib"))):
sys.exit("ScaFaCoS lib path for %s does not exist" % scafacospath)
scafacospath = fullpath(scafacospath)
# download and unpack ScaFaCoS tarball
if buildflag:
print("Downloading ScaFaCoS ...")
parser.print_help()
sys.exit(HELP)
buildflag = args.build
pathflag = args.path is not None
mscgpath = args.path
msuffix = args.machine
mscgver = args.version
# settings
url = "https://github.com/uchicago-voth/MSCG-release/archive/%s.tar.gz" % mscgver
tarname = "MS-CG-%s.tar.gz" % mscgver
tardir = "MSCG-release-%s" % mscgver
homepath = fullpath('.')
homedir = os.path.join(homepath, tardir)
if pathflag:
if not os.path.isdir(mscgpath):
sys.exit("MS-CG path %s does not exist" % mscgpath)
homedir = fullpath(mscgpath)
# download and unpack MS-CG tarfile
if buildflag:
print("Downloading MS-CG ...")
tarname = os.path.join(homepath, tarname)
geturl(url, tarname)
print("Unpacking MS-CG tarfile ...")
pgroup = parser.add_mutually_exclusive_group()
pgroup.add_argument("-b", "--build", action="store_true",
help="download and build the Eigen3 library")
pgroup.add_argument("-p", "--path",
help="specify folder of existing Eigen installation")
parser.add_argument("-v", "--version", default=version,
help="set version of Eigen 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)
homepath = fullpath(".")
eigenpath = os.path.join(homepath, "eigen3")
buildflag = args.build
pathflag = args.path is not None
version = args.version
if pathflag:
eigenpath = args.path
if not os.path.isdir(eigenpath):
sys.exit("Eigen path %s does not exist" % eigenpath)
eigenpath = fullpath(eigenpath)
# download and unpack Eigen tarball
# use glob to find name of dir it unpacks to
parser.print_help()
sys.exit(HELP)
buildflag = args.build
pathflag = args.path is not None
mscgpath = args.path
msuffix = args.machine
mscgver = args.version
# settings
url = "https://github.com/uchicago-voth/MSCG-release/archive/%s.tar.gz" % mscgver
tarname = "MS-CG-%s.tar.gz" % mscgver
tardir = "MSCG-release-%s" % mscgver
homepath = fullpath('.')
homedir = os.path.join(homepath, tardir)
if pathflag:
if not os.path.isdir(mscgpath):
sys.exit("MS-CG path %s does not exist" % mscgpath)
homedir = fullpath(mscgpath)
# download and unpack MS-CG tarfile
if buildflag:
print("Downloading MS-CG ...")
tarname = os.path.join(homepath, tarname)
geturl(url, tarname)
print("Unpacking MS-CG tarfile ...")
# print help message and exit, if neither build nor path options are given
if not args.mpi and not args.serial:
parser.print_help()
sys.exit(HELP)
mpiflag = args.mpi
serialflag = args.serial
zmqflag = args.zmq
# build CSlib
# copy resulting lib to cslib/src/libmessage.a
# copy appropriate Makefile.lammps.* to Makefile.lammps
print("Building CSlib ...")
srcdir = fullpath(os.path.join("cslib", "src"))
if mpiflag and zmqflag:
cmd = "make -C %s lib_parallel" % srcdir
elif mpiflag and not zmqflag:
cmd = "make -C %s lib_parallel zmq=no" % srcdir
elif not mpiflag and zmqflag:
cmd = "make -C %s lib_serial" % srcdir
elif not mpiflag and not zmqflag:
cmd = "make -C %s lib_serial zmq=no" % srcdir
print(cmd)
try:
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
used to automate the steps described in the README file in this dir
"""
from __future__ import print_function
import sys, os, subprocess, shutil
from argparse import ArgumentParser
sys.path.append('..')
from install_helpers import fullpath, geturl
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
# settings
thisdir = fullpath('.')
version = "kim-api-v2-2.0.1"
# help message
HELP = """
Syntax from src dir: make lib-kim args="-b -v version -a kim-name"
or: make lib-kim args="-b -a everything"
or: make lib-kim args="-n -a kim-name"
or: make lib-kim args="-p /usr/local/open-kim -a kim-name"
Syntax from lib dir: python Install.py -b -v version -a kim-name
or: python Install.py -b -a everything
or: python Install.py -n -a kim-name
or: python Install.py -p /usr/local/open-kim -a kim-name
Examples:
See the list of all KIM models here:
https://openkim.org/kim-items/models/by-model-drivers
See the list of example KIM models included by default here:
https://openkim.org/kim-api
in the "What is in the KIM API source package?" section
"""
# parse args
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error(help=help)
thisdir = fullpath('.')
version = "kim-api-v1.9.5"
buildflag = False
everythingflag = False
addflag = False
verboseflag = False
pathflag = False
iarg = 0
while iarg < len(args):
if args[iarg] == "-v":
if iarg+2 > len(args): error(help=help)
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-b":
homepath = "."
homedir = version
buildflag = False
pathflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg+2 > nargs: error(help=help)
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
voropath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error(help=help)
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath,version)
if (pathflag):
if not os.path.isdir(voropath): error("Voro++ path does not exist")
homedir = voropath
if (buildflag and pathflag):
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error(help=help)
homepath = "."
buildflag = False
pathflag = False
suffixflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-p":
if iarg + 2 > nargs: error(help=help)
lattedir = fullpath(args[iarg + 1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
elif args[iarg] == "-m":
if iarg + 2 > nargs: error(help=help)
suffix = args[iarg + 1]
suffixflag = True
iarg += 2
elif args[iarg] == "-v":
if iarg + 2 > nargs: error(help=help)
version = args[iarg + 1]
iarg += 2
else:
default=mode,
choices=['static', 'shared', 'runtime'],
help="set plumed linkage mode: static (default), shared, or runtime")
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
plumedpath = args.path
homepath = fullpath('.')
homedir = "%s/plumed2" % (homepath)
if pathflag:
if not os.path.isdir(plumedpath):
sys.exit("Plumed2 path %s does not exist" % plumedpath)
homedir = fullpath(plumedpath)
# download and unpack plumed2 tarball
if buildflag:
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (
version, version)
filename = "plumed-src-%s.tar.gz" % version
print("Downloading plumed ...")
geturl(url, filename)
homepath = "."
buildflag = True
pathflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg+2 > nargs: error(help=help)
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
scafacospath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error(help=help)
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath,version)
if (pathflag):
if not os.path.isdir(scafacospath): error("Scafacos path does not exist")
homedir =scafacospath
if (buildflag and pathflag):
# print help message and exit, if neither build nor path options are given
if not args.mpi and not args.serial:
parser.print_help()
sys.exit(HELP)
mpiflag = args.mpi
serialflag = args.serial
zmqflag = args.zmq
# build CSlib
# copy resulting lib to cslib/src/libmessage.a
# copy appropriate Makefile.lammps.* to Makefile.lammps
print("Building CSlib ...")
srcdir = fullpath(os.path.join("cslib", "src"))
if mpiflag and zmqflag:
cmd = "make -C %s lib_parallel" % srcdir
elif mpiflag and not zmqflag:
cmd = "make -C %s lib_parallel zmq=no" % srcdir
elif not mpiflag and zmqflag:
cmd = "make -C %s lib_serial" % srcdir
elif not mpiflag and not zmqflag:
cmd = "make -C %s lib_serial zmq=no" % srcdir
print(cmd)
try:
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
homepath = "."
buildflag = False
pathflag = False
suffixflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg + 2 > nargs: error(help=help)
version = args[iarg + 1]
iarg += 2
elif args[iarg] == "-p":
if iarg + 2 > nargs: error(help=help)
plumedpath = fullpath(args[iarg + 1])
pathflag = True
iarg += 2
elif args[iarg] == "-m":
if iarg + 2 > nargs: error(help=help)
mode = args[iarg + 1]
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else:
error(help=help)
homepath = fullpath(homepath)
homedir = "%s/plumed2" % (homepath)
"--version",
default=version,
help="set version of Voro++ 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
voropath = args.path
homepath = fullpath(".")
homedir = os.path.join(homepath, version)
if pathflag:
if not os.path.isdir(voropath):
sys.exit("Voro++ path %s does not exist" % voropath)
homedir = fullpath(voropath)
# download and unpack Voro++ tarball
if buildflag:
print("Downloading Voro++ ...")
vorotar = os.path.join(homepath, version) + '.tar.gz'
geturl(url, vorotar)
# verify downloaded archive integrity via md5 checksum, if known.
help="download and build the LATTE library")
pgroup.add_argument("-p", "--path",
help="specify folder of existing LATTE installation")
parser.add_argument("-m", "--machine", choices=['gfortran', 'ifort', 'linalg', 'serial', 'mpi'],
help="suffix of a Makefile.lammps.* file used for linking LAMMPS with this library")
parser.add_argument("-v", "--version", default=version,
help="set version of LATTE 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)
homepath = fullpath(".")
buildflag = args.build
pathflag = args.path is not None
version = args.version
suffixflag = args.machine is not None
suffix = args.machine
if pathflag:
lattedir = args.path
if not os.path.isdir(lattedir):
sys.exit("LATTE path %s does not exist" % lattedir)
lattedir = fullpath(lattedir)
homedir = "LATTE-%s" % version
parser.add_argument("-m", "--mode", default=mode, choices=['static', 'shared', 'runtime'],
help="set plumed linkage mode: static (default), shared, or runtime")
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
plumedpath = args.path
mode = args.mode
homepath = fullpath('.')
homedir = "%s/plumed2" % (homepath)
if pathflag:
if not os.path.isdir(plumedpath):
sys.exit("Plumed2 path %s does not exist" % plumedpath)
homedir = fullpath(plumedpath)
if not os.path.isdir(os.path.join(homedir, 'include', 'plumed', 'core')):
sys.exit("No Plumed2 installation found at %s" % plumedpath)
# download and unpack plumed2 tarball
if buildflag:
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version, version)
filename = "plumed-src-%s.tar.gz" %version
print("Downloading plumed ...")
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)
used to automate the steps described in the README file in this dir
"""
from __future__ import print_function
import sys, os, subprocess, shutil
from argparse import ArgumentParser
sys.path.append('..')
from install_helpers import fullpath, geturl, checkmd5sum
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
# settings
thisdir = fullpath('.')
version = "2.2.1"
# known checksums for different KIM-API versions. used to validate the download.
checksums = { \
'2.1.2' : '6ac52e14ef52967fc7858220b208cba5', \
'2.1.3' : '6ee829a1bbba5f8b9874c88c4c4ebff8', \
'2.2.0' : 'e7f944e1593cffd7444679a660607f6c', \
'2.2.1' : 'ae1ddda2ef7017ea07934e519d023dca', \
}
# help message
HELP = """
Syntax from src dir: make lib-kim args="-b -v version -a kim-name"
or: make lib-kim args="-b -a everything"
nargs = len(args)
if nargs == 0: error(help=help)
homepath = "."
homedir = tardir
buildflag = False
pathflag = False
linkflag = True
msuffix = "g++_simple"
iarg = 0
while iarg < nargs:
if args[iarg] == "-p":
if iarg + 2 > nargs: error(help=help)
mscgpath = fullpath(args[iarg + 1])
pathflag = True
iarg += 2
elif args[iarg] == "-m":
if iarg + 2 > nargs: error(help=help)
msuffix = args[iarg + 1]
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else:
error(help=help)
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath, homedir)
homepath = "."
homedir = version
buildflag = False
pathflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg + 2 > nargs: error(help=help)
version = args[iarg + 1]
iarg += 2
elif args[iarg] == "-p":
if iarg + 2 > nargs: error(help=help)
voropath = fullpath(args[iarg + 1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else:
error(help=help)
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath, version)
if (pathflag):
if not os.path.isdir(voropath): error("Voro++ path does not exist")
homedir = voropath
homepath = "."
homedir = "eigen3"
buildflag = False
pathflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg+2 > nargs: error(help=help)
version = args[iarg+1]
iarg += 2
elif args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
eigenpath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error(help=help)
homepath = fullpath(homepath)
if (pathflag):
if not os.path.isdir(eigenpath): error("Eigen path does not exist")
if (buildflag and pathflag):
error("Cannot use -b and -p flag at the same time")
help="specify folder of existing Voro++ installation")
parser.add_argument("-v", "--version", default=version,
help="set version of Voro++ 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
voropath = args.path
homepath = fullpath(".")
homedir = os.path.join(homepath, version)
if pathflag:
if not os.path.isdir(voropath):
sys.exit("Voro++ path %s does not exist" % voropath)
homedir = fullpath(voropath)
# download and unpack Voro++ tarball
if buildflag:
print("Downloading Voro++ ...")
vorotar = os.path.join(homepath, version) + '.tar.gz'
geturl(url, vorotar)
# verify downloaded archive integrity via md5 checksum, if known.
zmqflag = True
iarg += 1
else: error(help=help)
if (not mpiflag and not serialflag):
error("Must use either -m or -s flag")
if (mpiflag and serialflag):
error("Cannot use -m and -s flag at the same time")
# build CSlib
# copy resulting lib to cslib/src/libmessage.a
# copy appropriate Makefile.lammps.* to Makefile.lammps
print("Building CSlib ...")
srcdir = fullpath("./cslib/src")
if mpiflag and zmqflag:
cmd = "cd %s; make lib_parallel" % srcdir
elif mpiflag and not zmqflag:
cmd = "cd %s; make lib_parallel zmq=no" % srcdir
elif not mpiflag and zmqflag:
cmd = "cd %s; make lib_serial" % srcdir
elif not mpiflag and not zmqflag:
cmd = "cd %s; make lib_serial zmq=no" % srcdir
print(cmd)
try:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
help="set EXTRAMAKE variable in <libname>/Makefile.<machine> to Makefile.lammps.<extramake>")
args = parser.parse_args()
# print help message and exit, if neither build nor path options are given
if not args.machine and not args.extramake:
parser.print_help()
sys.exit(HELP)
machine = args.machine
extraflag = not args.extramake
suffix = args.extramake
# set lib from working dir
cwd = fullpath('.')
lib = os.path.basename(cwd)
# create Makefile.auto as copy of Makefile.machine
# reset EXTRAMAKE if requested
if not os.path.exists("Makefile.%s" % machine):
sys.exit("lib/%s/Makefile.%s does not exist" % (lib, machine))
lines = open("Makefile.%s" % machine, 'r').readlines()
fp = open("Makefile.auto", 'w')
has_extramake = False
for line in lines:
words = line.split()
if len(words) == 3 and words[0] == "EXTRAMAKE" and words[1] == '=':
homepath = "."
homedir = "eigen3"
buildflag = False
pathflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-v":
if iarg + 2 > nargs: error(help=help)
version = args[iarg + 1]
iarg += 2
elif args[iarg] == "-p":
if iarg + 2 > nargs: error(help=help)
eigenpath = fullpath(args[iarg + 1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else:
error(help=help)
homepath = fullpath(homepath)
if (pathflag):
if not os.path.isdir(eigenpath): error("Eigen path does not exist")
if (buildflag and pathflag):
error("Cannot use -b and -p flag at the same time")
# print help message and exit, if neither build nor path options are given
if not args.machine and not args.extramake:
parser.print_help()
sys.exit(HELP)
machine = args.machine
extraflag = args.extramake
if extraflag:
suffix = args.extramake
else:
suffix = 'empty'
# set lib from working dir
cwd = fullpath('.')
lib = os.path.basename(cwd)
# create Makefile.auto as copy of Makefile.machine
# reset EXTRAMAKE if requested
if not os.path.exists("Makefile.%s" % machine):
sys.exit("lib/%s/Makefile.%s does not exist" % (lib, machine))
lines = open("Makefile.%s" % machine, 'r').readlines()
fp = open("Makefile.auto", 'w')
has_extramake = False
for line in lines:
words = line.split()
if len(words) == 3 and words[0] == "EXTRAMAKE" and words[1] == '=':
nargs = len(args)
if nargs == 0: error(help=help)
homepath = "."
homedir = tardir
buildflag = False
pathflag = False
linkflag = True
msuffix = "g++_simple"
iarg = 0
while iarg < nargs:
if args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
mscgpath = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-m":
if iarg+2 > nargs: error(help=help)
msuffix = args[iarg+1]
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
else: error(help=help)
homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath,homedir)
if (pathflag):
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error(help=help)
homepath = "."
buildflag = False
pathflag = False
suffixflag = False
linkflag = True
iarg = 0
while iarg < nargs:
if args[iarg] == "-p":
if iarg+2 > nargs: error(help=help)
lattedir = fullpath(args[iarg+1])
pathflag = True
iarg += 2
elif args[iarg] == "-b":
buildflag = True
iarg += 1
elif args[iarg] == "-m":
if iarg+2 > nargs: error(help=help)
suffix = args[iarg+1]
suffixflag = True
iarg += 2
elif args[iarg] == "-v":
if iarg+2 > nargs: error(help=help)
version = args[iarg+1]
iarg += 2
else: error(help=help)
See the list of all KIM models here:
https://openkim.org/kim-items/models/by-model-drivers
See the list of example KIM models included by default here:
https://openkim.org/kim-api
in the "What is in the KIM API source package?" section
"""
# parse args
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error(help=help)
thisdir = fullpath('.')
version = "kim-api-v1.9.5"
buildflag = False
everythingflag = False
addflag = False
verboseflag = False
pathflag = False
iarg = 0
while iarg < len(args):
if args[iarg] == "-v":
if iarg + 2 > len(args): error(help=help)
version = args[iarg + 1]
iarg += 2
elif args[iarg] == "-b":
