ICODE-ADC/lammps
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some cleanups and small bugfixes to conform better with python conventions

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This commit is contained in:
Axel Kohlmeyer
2019-01-28 17:37:05 -05:00
parent 0cae619320
commit 1465352454
11 changed files with 846 additions and 234 deletions
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53
lib/scafacos/Install.py
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@ -1,14 +1,17 @@
#!/usr/bin/env python
# Install.py tool to download, unpack, build, and link to the ScaFaCoS library
# used to automate the steps described in the README file in this dir
"""
Install.py tool to download, unpack, build, and link to the ScaFaCoS library
used to automate the steps described in the README file in this dir
"""
from __future__ import print_function
import sys,os,re,subprocess,shutil,tarfile
sys.path.append('..')
from install_helpers import fullpath,geturl,get_cpus,checkmd5sum
import sys, os, subprocess, shutil, tarfile
from argparse import ArgumentParser
sys.path.append('..')
from install_helpers import fullpath, geturl, get_cpus, checkmd5sum
parser = ArgumentParser(prog='Install.py',
description="LAMMPS library build wrapper script")
@ -24,7 +27,7 @@ checksums = { \
# extra help message
help = """
HELP = """
Syntax from src dir: make lib-scafacos args="-b"
or: make lib-scafacos args="-p /usr/local/scafacos"
Syntax from lib dir: python Install.py -b
@ -49,23 +52,23 @@ parser.add_argument("-v", "--version", default=version,
args = parser.parse_args()
# print help message and exit, if neither build nor path options are given
if args.build == False and not args.path:
if not args.build and not args.path:
parser.print_help()
sys.exit(help)
sys.exit(HELP)
buildflag = args.build
pathflag = args.path != None
pathflag = args.path is not None
version = args.version
homepath = fullpath(".")
scafacospath = os.path.join(homepath,"scafacos-%s" % version)
scafacospath = os.path.join(homepath, "scafacos-%s" % version)
if pathflag:
scafacospath = args.path
if not os.path.isdir(os.path.join(scafacospath,"include")):
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"))):
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)
@ -73,19 +76,19 @@ if pathflag:
if buildflag:
print("Downloading ScaFaCoS ...")
geturl(url,"%s/scafacos-%s.tar.gz" % (homepath,version))
geturl(url, "%s/scafacos-%s.tar.gz" % (homepath, version))
# verify downloaded archive integrity via md5 checksum, if known.
if version in checksums:
if not checkmd5sum(checksums[version],'%s/scafacos-%s.tar.gz' % (homepath,version)):
if not checkmd5sum(checksums[version], '%s/scafacos-%s.tar.gz' % (homepath, version)):
sys.exit("Checksum for ScaFaCoS library does not match")
print("Unpacking ScaFaCoS tarball ...")
if os.path.exists(scafacospath):
shutil.rmtree(scafacospath)
tarname = os.path.join(homepath,"%s.tar.gz" % scafacospath)
tarname = os.path.join(homepath, "%s.tar.gz" % scafacospath)
if tarfile.is_tarfile(tarname):
tgz=tarfile.open(tarname)
tgz = tarfile.open(tarname)
tgz.extractall(path=homepath)
os.remove(tarname)
else:
@ -94,9 +97,9 @@ if buildflag:
# build ScaFaCoS
print("Building ScaFaCoS ...")
n_cpu = get_cpus()
cmd = 'cd "%s"; ./configure --prefix="%s" --disable-doc --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m --with-internal-fftw --with-internal-pfft --with-internal-pnfft CC=mpicc FC=mpif90 CXX=mpicxx F77=; make -j%d; make install' % (scafacospath,os.path.join(homepath,'build'),n_cpu)
cmd = 'cd "%s"; ./configure --prefix="%s" --disable-doc --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m --with-internal-fftw --with-internal-pfft --with-internal-pnfft CC=mpicc FC=mpif90 CXX=mpicxx F77=; make -j%d; make install' % (scafacospath, os.path.join(homepath, 'build'), n_cpu)
try:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
sys.exit("Make failed with:\n %s" % e.output.decode('UTF-8'))
@ -109,11 +112,11 @@ if os.path.isfile("includelink") or os.path.islink("includelink"):
if os.path.isfile("liblink") or os.path.islink("liblink"):
os.remove("liblink")
if buildflag:
os.symlink(os.path.join(homepath,'build','include'),'includelink')
os.symlink(os.path.join(homepath,'build','lib'),'liblink')
os.symlink(os.path.join(homepath, 'build', 'include'), 'includelink')
os.symlink(os.path.join(homepath, 'build', 'lib'), 'liblink')
else:
os.symlink(os.path.join(scafacospath,'include'),'includelink')
if os.path.isdir(os.path.join(scafacospath,"lib64")):
os.symlink(os.path.join(scafacospath,'lib64'),'liblink')
os.symlink(os.path.join(scafacospath, 'include'), 'includelink')
if os.path.isdir(os.path.join(scafacospath, "lib64")):
os.symlink(os.path.join(scafacospath, 'lib64'), 'liblink')
else:
os.symlink(os.path.join(scafacospath,'lib'),'liblink')
os.symlink(os.path.join(scafacospath, 'lib'), 'liblink')