some cleanups and small bugfixes to conform better with python conventions
This commit is contained in:
Axel Kohlmeyer
@ -1,19 +1,22 @@
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#!/usr/bin/env python
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# install.py tool to do a generic build of a library
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# soft linked to by many of the lib/Install.py files
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# used to automate the steps described in the corresponding lib/README
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"""
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Install.py tool to do a generic build of a library
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soft linked to by many of the lib/Install.py files
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used to automate the steps described in the corresponding lib/README
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"""
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from __future__ import print_function
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import sys,os,subprocess
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sys.path.append('..')
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from install_helpers import get_cpus,fullpath
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import sys, os, subprocess
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from argparse import ArgumentParser
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sys.path.append('..')
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from install_helpers import get_cpus, fullpath
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parser = ArgumentParser(prog='Install.py',
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description="LAMMPS library build wrapper script")
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help = """
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HELP = """
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Syntax from src dir: make lib-libname args="-m machine -e suffix"
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Syntax from lib dir: python Install.py -m machine -e suffix
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@ -39,10 +42,11 @@ args = parser.parse_args()
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# print help message and exit, if neither build nor path options are given
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if not args.machine and not args.extramake:
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parser.print_help()
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sys.exit(help)
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sys.exit(HELP)
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machine = args.machine
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extraflag = args.extramake
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extraflag = not args.extramake
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suffix = args.extramake
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# set lib from working dir
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@ -53,10 +57,10 @@ lib = os.path.basename(cwd)
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# reset EXTRAMAKE if requested
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if not os.path.exists("Makefile.%s" % machine):
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sys.exit("lib/%s/Makefile.%s does not exist" % (lib,machine))
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sys.exit("lib/%s/Makefile.%s does not exist" % (lib, machine))
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lines = open("Makefile.%s" % machine,'r').readlines()
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fp = open("Makefile.auto",'w')
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lines = open("Makefile.%s" % machine, 'r').readlines()
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fp = open("Makefile.auto", 'w')
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has_extramake = False
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for line in lines:
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@ -64,7 +68,7 @@ for line in lines:
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if len(words) == 3 and words[0] == "EXTRAMAKE" and words[1] == '=':
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has_extramake = True
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if extraflag:
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line = line.replace(words[2],"Makefile.lammps.%s" % suffix)
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line = line.replace(words[2], "Makefile.lammps.%s" % suffix)
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fp.write(line)
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fp.close()
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@ -75,14 +79,16 @@ n_cpus = get_cpus()
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print("Building lib%s.a ..." % lib)
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cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
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try:
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txt = subprocess.check_output(cmd,shell=True,stderr=subprocess.STDOUT)
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txt = subprocess.check_output(cmd, shell=True, stderr=subprocess.STDOUT)
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print(txt.decode('UTF-8'))
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except subprocess.CalledProcessError as e:
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print("Make failed with:\n %s" % e.output.decode('UTF-8'))
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sys.exit(1)
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if os.path.exists("lib%s.a" % lib): print("Build was successful")
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else: sys.exit("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))
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if os.path.exists("lib%s.a" % lib):
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print("Build was successful")
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else:
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sys.exit("Build of lib/%s/lib%s.a was NOT successful" % (lib, lib))
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if has_extramake and not os.path.exists("Makefile.lammps"):
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print("WARNING: lib/%s/Makefile.lammps was NOT created" % lib)
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@ -1,20 +1,23 @@
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#!/usr/bin/env python
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# Install.py tool to build the GPU library
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# used to automate the steps described in the README file in this dir
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"""
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Install.py tool to build the GPU library
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used to automate the steps described in the README file in this dir
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"""
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from __future__ import print_function
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import sys,os,subprocess,shutil
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import sys, os, subprocess, shutil
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from argparse import ArgumentParser
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sys.path.append('..')
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from install_helpers import get_cpus
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from argparse import ArgumentParser
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parser = ArgumentParser(prog='Install.py',
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description="LAMMPS library build wrapper script")
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# help message
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help = """
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HELP = """
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Syntax from src dir: make lib-gpu args="-m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix"
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Syntax from lib dir: python Install.py -m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix
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@ -41,10 +44,10 @@ parser.add_argument("-b", "--build", action="store_true",
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parser.add_argument("-m", "--machine", default='linux',
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help="suffix of Makefile.machine used as base for customizing Makefile.auto")
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parser.add_argument("-a", "--arch", default='sm_30',
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choices=['sm_12','sm_13','sm_20','sm_21','sm_30','sm_35','sm_37',
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'sm_50','sm_52','sm_60','sm_61','sm_70','sm_75'],
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choices=['sm_12', 'sm_13', 'sm_20', 'sm_21', 'sm_30', 'sm_35', 'sm_37',
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'sm_50', 'sm_52', 'sm_60', 'sm_61', 'sm_70', 'sm_75'],
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help="set GPU architecture and instruction set (default: 'sm_30')")
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parser.add_argument("-p", "--precision", default='mixed', choices=['single','mixed','double'],
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parser.add_argument("-p", "--precision", default='mixed', choices=['single', 'mixed', 'double'],
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help="set GPU kernel precision mode (default: mixed)")
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parser.add_argument("-e", "--extramake", default='standard',
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help="set EXTRAMAKE variable in Makefile.auto to Makefile.lammps.<extramake>")
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@ -56,9 +59,9 @@ parser.add_argument("-o", "--output",
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args = parser.parse_args()
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# print help message and exit, if neither build nor output options are given
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if args.build == False and not args.output:
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if not args.build and not args.output:
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parser.print_help()
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sys.exit(help)
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sys.exit(HELP)
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hflag = 0
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eflag = 0
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@ -71,9 +74,12 @@ if args.build:
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isuffix = args.machine
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arch = args.arch
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if args.precision == "double": precstr = "-D_DOUBLE_DOUBLE"
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elif args.precision == "mixed": precstr = "-D_SINGLE_DOUBLE"
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else: precstr = "-D_SINGLE_SINGLE"
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if args.precision == "double":
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precstr = "-D_DOUBLE_DOUBLE"
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elif args.precision == "mixed":
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precstr = "-D_SINGLE_DOUBLE"
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else:
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precstr = "-D_SINGLE_SINGLE"
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lmpsuffix = args.extramake
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@ -91,8 +97,8 @@ if args.output:
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if not os.path.exists("Makefile.%s" % isuffix):
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sys.exit("lib/gpu/Makefile.%s does not exist" % isuffix)
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lines = open("Makefile.%s" % isuffix,'r').readlines()
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fp = open("Makefile.auto",'w')
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lines = open("Makefile.%s" % isuffix, 'r').readlines()
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fp = open("Makefile.auto", 'w')
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for line in lines:
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words = line.split()
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@ -101,13 +107,13 @@ for line in lines:
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continue
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if hflag and words[0] == "CUDA_HOME" and words[1] == '=':
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line = line.replace(words[2],hdir)
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line = line.replace(words[2], hdir)
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if words[0] == "CUDA_ARCH" and words[1] == '=':
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line = line.replace(words[2],"-arch=%s" % arch)
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line = line.replace(words[2], "-arch=%s" % arch)
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if words[0] == "CUDA_PRECISION" and words[1] == '=':
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line = line.replace(words[2],precstr)
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line = line.replace(words[2], precstr)
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if eflag and words[0] == "EXTRAMAKE" and words[1] == '=':
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line = line.replace(words[2],"Makefile.lammps.%s" % lmpsuffix)
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line = line.replace(words[2], "Makefile.lammps.%s" % lmpsuffix)
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fp.write(line)
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fp.close()
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@ -122,7 +128,7 @@ if makeflag:
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n_cpus = get_cpus()
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cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
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try:
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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print(txt.decode('UTF-8'))
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except subprocess.CalledProcessError as e:
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print("Make failed with:\n %s" % e.output.decode('UTF-8'))
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@ -138,4 +144,3 @@ if makeflag:
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if outflag:
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print("Creating new Makefile.%s" % osuffix)
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shutil.copyfile("Makefile.auto", "Makefile.%s" % osuffix)
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@ -1,14 +1,17 @@
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#!/usr/bin/env python
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# install.py tool to download, compile, and setup the kim-api library
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# used to automate the steps described in the README file in this dir
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"""
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Install.py tool to download, compile, and setup the kim-api library
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used to automate the steps described in the README file in this dir
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"""
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from __future__ import print_function
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import sys,os,re,subprocess,shutil
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sys.path.append('..')
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from install_helpers import fullpath,geturl
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import sys, os, subprocess, shutil
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from argparse import ArgumentParser
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sys.path.append('..')
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from install_helpers import fullpath, geturl
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parser = ArgumentParser(prog='Install.py',
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description="LAMMPS library build wrapper script")
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@ -19,7 +22,7 @@ version = "kim-api-v1.9.5"
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# help message
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help = """
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HELP = """
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Syntax from src dir: make lib-kim args="-b -v version -a kim-name"
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or: make lib-kim args="-b -a everything"
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or: make lib-kim args="-n -a kim-name"
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@ -64,13 +67,13 @@ parser.add_argument("-vv", "--verbose", action="store_true",
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args = parser.parse_args()
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# print help message and exit, if neither build nor path options are given
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if args.build == False and not args.path and args.nobuild == False:
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if not args.build and not args.path and not args.nobuild:
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parser.print_help()
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sys.exit(help)
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sys.exit(HELP)
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buildflag = args.build
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pathflag = args.path != None
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addflag = args.add != None
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pathflag = args.path is not None
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addflag = args.add is not None
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addmodelname = args.add
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everythingflag = False
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if addflag and addmodelname == "everything":
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@ -81,7 +84,8 @@ verboseflag = args.verbose
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if pathflag:
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buildflag = False
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kimdir = args.path
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if not os.path.isdir(kimdir): sys.exit("KIM API path %s does not exist" % kimdir)
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if not os.path.isdir(kimdir):
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sys.exit("KIM API path %s does not exist" % kimdir)
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kimdir = fullpath(kimdir)
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url = "https://s3.openkim.org/kim-api/%s.txz" % version
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@ -96,7 +100,7 @@ if pathflag:
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mkfile.write("print_dir:\n")
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mkfile.write(" @printf $(KIM_INSTALL_DIR)\n")
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print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir,kimdir))
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print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir, kimdir))
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else:
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kimdir = os.path.join(os.path.abspath(thisdir), "installed-" + version)
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if args.nobuild and not os.path.isdir(kimdir):
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@ -119,55 +123,60 @@ if buildflag:
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mkfile.write("print_dir:\n")
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mkfile.write(" @printf $(KIM_INSTALL_DIR)\n")
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print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir,kimdir))
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print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir, kimdir))
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# download entire kim-api tarball
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print("Downloading kim-api tarball ...")
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geturl(url,"%s/%s.txz" % (thisdir,version))
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geturl(url, "%s/%s.txz" % (thisdir, version))
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print("Unpacking kim-api tarball ...")
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cmd = 'cd "%s"; rm -rf "%s"; tar -xJvf %s.txz' % (thisdir,version,version)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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cmd = 'cd "%s"; rm -rf "%s"; tar -xJvf %s.txz' % (thisdir, version, version)
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subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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# configure kim-api
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print("Configuring kim-api ...")
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cmd = 'cd "%s/%s"; ./configure --prefix="%s"' % (thisdir,version,kimdir)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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cmd = 'cd "%s/%s"; ./configure --prefix="%s"' % (thisdir, version, kimdir)
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subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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# build kim-api
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print("Building kim-api ...")
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cmd = 'cd "%s/%s"; make' % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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cmd = 'cd "%s/%s"; make' % (thisdir, version)
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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if verboseflag:
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print(txt.decode("UTF-8"))
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# install kim-api
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print("Installing kim-api ...")
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cmd = 'cd "%s/%s"; make install' % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print(txt.decode("UTF-8"))
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cmd = 'cd "%s/%s"; make install' % (thisdir, version)
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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if verboseflag:
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print(txt.decode("UTF-8"))
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# remove source files
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print("Building and installing example Models")
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cmd = 'cd "%s/%s/examples"; make model-drivers-all-system' % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print (txt.decode("UTF-8"))
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cmd = 'cd "%s/%s/examples"; make models-all-system' % (thisdir,version)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if verboseflag: print (txt.decode("UTF-8"))
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cmd = 'cd "%s/%s/examples"; make model-drivers-all-system' % (thisdir, version)
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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if verboseflag:
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print(txt.decode("UTF-8"))
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cmd = 'cd "%s/%s/examples"; make models-all-system' % (thisdir, version)
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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if verboseflag:
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print(txt.decode("UTF-8"))
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print("Removing kim-api source and build files ...")
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cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir,version,version)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
|
||||
cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir, version, version)
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subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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||||
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# add all OpenKIM models, if desired
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if everythingflag:
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print("Adding all OpenKIM models, this will take a while ...")
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cmd = '%s/bin/kim-api-v1-collections-management install system OpenKIM' % (kimdir)
|
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
|
||||
if verboseflag: print(txt.decode("UTF-8"))
|
||||
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
|
||||
if verboseflag:
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print(txt.decode("UTF-8"))
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||||
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||||
# add single OpenKIM model
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if addflag:
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||||
@ -175,12 +184,13 @@ if addflag:
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makefile_path = os.path.join(thisdir, "Makefile.KIM_DIR")
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if os.path.isfile(makefile_path):
|
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cmd = 'make --no-print-directory -f %s print_dir' % makefile_path
|
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kimdir = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
|
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kimdir = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
|
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|
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if not os.path.isdir(kimdir):
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sys.exit("\nkim-api is not installed")
|
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|
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# download single model
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cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)
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txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
|
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if verboseflag: print (txt.decode("UTF-8"))
|
||||
txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
|
||||
if verboseflag:
|
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print(txt.decode("UTF-8"))
|
||||
|
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@ -1,14 +1,17 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to download, unpack, build, and link to the LATTE 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 LATTE 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 get_cpus,fullpath,geturl,checkmd5sum
|
||||
import sys, os, subprocess, shutil, tarfile
|
||||
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")
|
||||
|
||||
@ -26,7 +29,7 @@ checksums = { \
|
||||
|
||||
# help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-latte args="-b"
|
||||
or: make lib-latte args="-p /usr/local/latte"
|
||||
or: make lib-latte args="-m gfortran"
|
||||
@ -49,7 +52,7 @@ pgroup.add_argument("-b", "--build", action="store_true",
|
||||
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'],
|
||||
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)
|
||||
@ -57,21 +60,22 @@ 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)
|
||||
|
||||
homepath = fullpath(".")
|
||||
|
||||
buildflag = args.build
|
||||
pathflag = args.path != None
|
||||
pathflag = args.path is not None
|
||||
version = args.version
|
||||
suffixflag = args.machine != None
|
||||
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)
|
||||
if not os.path.isdir(lattedir):
|
||||
sys.exit("LATTE path %s does not exist" % lattedir)
|
||||
lattedir = fullpath(lattedir)
|
||||
|
||||
homedir = "LATTE-%s" % version
|
||||
@ -79,17 +83,17 @@ homedir = "LATTE-%s" % version
|
||||
if buildflag:
|
||||
url = "https://github.com/lanl/LATTE/archive/v%s.tar.gz" % version
|
||||
lattepath = fullpath(homepath)
|
||||
lattedir = os.path.join(lattepath,homedir)
|
||||
lattedir = os.path.join(lattepath, homedir)
|
||||
|
||||
# download and unpack LATTE tarball
|
||||
|
||||
if buildflag:
|
||||
print("Downloading LATTE ...")
|
||||
geturl(url,"LATTE.tar.gz")
|
||||
geturl(url, "LATTE.tar.gz")
|
||||
|
||||
# verify downloaded archive integrity via md5 checksum, if known.
|
||||
if version in checksums:
|
||||
if not checkmd5sum(checksums[version],'LATTE.tar.gz'):
|
||||
if not checkmd5sum(checksums[version], 'LATTE.tar.gz'):
|
||||
sys.exit("Checksum for LATTE library does not match")
|
||||
|
||||
print("Unpacking LATTE ...")
|
||||
@ -106,7 +110,7 @@ if buildflag:
|
||||
print("Building LATTE ...")
|
||||
cmd = 'cd "%s"; make' % lattedir
|
||||
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'))
|
||||
@ -120,14 +124,15 @@ if os.path.isfile("liblink") or os.path.islink("liblink"):
|
||||
os.remove("liblink")
|
||||
if os.path.isfile("filelink.o") or os.path.islink("filelink.o"):
|
||||
os.remove("filelink.o")
|
||||
os.symlink(os.path.join(lattedir,'src'),'includelink')
|
||||
os.symlink(lattedir,'liblink')
|
||||
os.symlink(os.path.join(lattedir,'src','latte_c_bind.o'),'filelink.o')
|
||||
os.symlink(os.path.join(lattedir, 'src'), 'includelink')
|
||||
os.symlink(lattedir, 'liblink')
|
||||
os.symlink(os.path.join(lattedir, 'src', 'latte_c_bind.o'), 'filelink.o')
|
||||
|
||||
# copy Makefile.lammps.suffix to Makefile.lammps
|
||||
|
||||
if suffixflag or not os.path.exists("Makefile.lammps"):
|
||||
if suffix == None: suffix = 'gfortran'
|
||||
if suffix is None:
|
||||
suffix = 'gfortran'
|
||||
print("Creating Makefile.lammps")
|
||||
if os.path.exists("Makefile.lammps.%s" % suffix):
|
||||
shutil.copyfile("Makefile.lammps.%s" % suffix, 'Makefile.lammps')
|
||||
|
||||
@ -1,20 +1,23 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to build the CSlib library
|
||||
# used to automate the steps described in the README file in this dir
|
||||
"""
|
||||
Install.py tool to build the CSlib 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
|
||||
sys.path.append('..')
|
||||
from install_helpers import get_cpus,fullpath
|
||||
import sys, os, subprocess, shutil
|
||||
from argparse import ArgumentParser
|
||||
|
||||
sys.path.append('..')
|
||||
from install_helpers import fullpath
|
||||
|
||||
parser = ArgumentParser(prog='Install.py',
|
||||
description="LAMMPS library build wrapper script")
|
||||
|
||||
# help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-message args="-m"
|
||||
or: make lib-message args="-s -z"
|
||||
Syntax from lib dir: python Install.py -m
|
||||
@ -37,9 +40,9 @@ parser.add_argument("-z", "--zmq", default=False, action="store_true",
|
||||
args = parser.parse_args()
|
||||
|
||||
# print help message and exit, if neither build nor path options are given
|
||||
if args.mpi == False and args.serial == False:
|
||||
if not args.mpi and not args.serial:
|
||||
parser.print_help()
|
||||
sys.exit(help)
|
||||
sys.exit(HELP)
|
||||
|
||||
mpiflag = args.mpi
|
||||
serialflag = args.serial
|
||||
@ -50,7 +53,7 @@ zmqflag = args.zmq
|
||||
# copy appropriate Makefile.lammps.* to Makefile.lammps
|
||||
|
||||
print("Building CSlib ...")
|
||||
srcdir = fullpath(os.path.join("cslib","src"))
|
||||
srcdir = fullpath(os.path.join("cslib", "src"))
|
||||
|
||||
if mpiflag and zmqflag:
|
||||
cmd = "make -C %s lib_parallel" % srcdir
|
||||
@ -60,20 +63,22 @@ 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)
|
||||
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)
|
||||
|
||||
slb=os.path.join(srcdir,"libcsnompi.a")
|
||||
if mpiflag: slb = os.path.join(srcdir,"libcsmpi.a")
|
||||
shutil.copyfile(slb,os.path.join(srcdir,"libmessage.a"))
|
||||
slb = os.path.join(srcdir, "libcsnompi.a")
|
||||
if mpiflag:
|
||||
slb = os.path.join(srcdir, "libcsmpi.a")
|
||||
shutil.copyfile(slb, os.path.join(srcdir, "libmessage.a"))
|
||||
|
||||
smk="Makefile.lammps.nozmq"
|
||||
if zmqflag: smk="Makefile.lammps.zmq"
|
||||
shutil.copyfile(smk,"Makefile.lammps")
|
||||
smk = "Makefile.lammps.nozmq"
|
||||
if zmqflag:
|
||||
smk = "Makefile.lammps.zmq"
|
||||
shutil.copyfile(smk, "Makefile.lammps")
|
||||
print("Using %s for Makefile.lammps" % smk)
|
||||
|
||||
@ -1,15 +1,17 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to download, unpack, build, and link to the MS-CG 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 MS-CG 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 get_cpus,fullpath,get_cpus,geturl
|
||||
|
||||
import sys, os, subprocess, shutil, tarfile
|
||||
from argparse import ArgumentParser
|
||||
|
||||
sys.path.append('..')
|
||||
from install_helpers import fullpath, geturl
|
||||
|
||||
parser = ArgumentParser(prog='Install.py',
|
||||
description="LAMMPS library build wrapper script")
|
||||
|
||||
@ -20,7 +22,7 @@ machine = "g++_simple"
|
||||
|
||||
# help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-mscg args="-p [path] -m [suffix] -v [version]"
|
||||
or: make lib-mscg args="-b -m [suffix]"
|
||||
Syntax from lib dir: python Install.py -p [path] -m [suffix] -v [version]
|
||||
@ -47,19 +49,19 @@ pgroup.add_argument("-p", "--path",
|
||||
help="specify folder of existing MSCG installation")
|
||||
parser.add_argument("-v", "--version", default=version, choices=checksums.keys(),
|
||||
help="set version of MSCG to download and build (default: %s)" % version)
|
||||
parser.add_argument("-m", "--machine", default=machine, choices=['mpi','serial','g++_simple','intel_simple','lapack', 'mac'],
|
||||
parser.add_argument("-m", "--machine", default=machine, choices=['mpi', 'serial', 'g++_simple', 'intel_simple', 'lapack', 'mac'],
|
||||
help="set machine suffix specifies which src/Make/Makefile.suffix to use. (default: %s)" % machine)
|
||||
|
||||
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
|
||||
mscgpath= args.path
|
||||
pathflag = args.path is not None
|
||||
mscgpath = args.path
|
||||
msuffix = args.machine
|
||||
mscgver = args.version
|
||||
|
||||
@ -70,7 +72,7 @@ tarname = "MS-CG-%s.tar.gz" % mscgver
|
||||
tardir = "MSCG-release-%s" % mscgver
|
||||
|
||||
homepath = fullpath('.')
|
||||
homedir = os.path.join(homepath,tardir)
|
||||
homedir = os.path.join(homepath, tardir)
|
||||
|
||||
if pathflag:
|
||||
if not os.path.isdir(mscgpath):
|
||||
@ -81,41 +83,41 @@ if pathflag:
|
||||
|
||||
if buildflag:
|
||||
print("Downloading MS-CG ...")
|
||||
tarname = os.path.join(homepath,tarname)
|
||||
geturl(url,tarname)
|
||||
tarname = os.path.join(homepath, tarname)
|
||||
geturl(url, tarname)
|
||||
|
||||
print("Unpacking MS-CG tarfile ...")
|
||||
|
||||
if os.path.exists(os.path.join(homepath,tardir)):
|
||||
shutil.rmtree(os.path.join(homepath,tardir))
|
||||
|
||||
if os.path.exists(os.path.join(homepath, tardir)):
|
||||
shutil.rmtree(os.path.join(homepath, tardir))
|
||||
|
||||
if tarfile.is_tarfile(tarname):
|
||||
tgz = tarfile.open(tarname)
|
||||
tgz.extractall(path=homepath)
|
||||
os.remove(tarname)
|
||||
else:
|
||||
sys.exit("File %s is not a supported archive",tarname)
|
||||
sys.exit("File %s is not a supported archive", tarname)
|
||||
|
||||
if os.path.basename(homedir) != tardir:
|
||||
if os.path.exists(homedir):
|
||||
shutil.rmtree(homedir)
|
||||
os.rename(os.path.join(homepath,tardir),homedir)
|
||||
os.rename(os.path.join(homepath, tardir), homedir)
|
||||
|
||||
# build MS-CG
|
||||
|
||||
if buildflag:
|
||||
print("Building MS-CG ...")
|
||||
mkf="Makefile.%s" % msuffix
|
||||
mkp=os.path.join(homedir,'src','Make',mkf)
|
||||
mkf = "Makefile.%s" % msuffix
|
||||
mkp = os.path.join(homedir, 'src', 'Make', mkf)
|
||||
if os.path.exists(mkp):
|
||||
shutil.copyfile(mkp,os.path.join(homedir,'src',mkf))
|
||||
shutil.copyfile(mkp, os.path.join(homedir, 'src', mkf))
|
||||
elif os.path.exists("Makefile.%s" % msuffix):
|
||||
shutil.copyfile("Makefile.%s" % msuffix,os.path.join(homedir,'src',mkf))
|
||||
shutil.copyfile("Makefile.%s" % msuffix, os.path.join(homedir, 'src', mkf))
|
||||
else:
|
||||
sys.exit("Cannot find Makefile.%s" % msuffix)
|
||||
try:
|
||||
cmd = 'make -C %s -f Makefile.%s' % (os.path.join(homedir,'src'),msuffix)
|
||||
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
|
||||
cmd = 'make -C %s -f Makefile.%s' % (os.path.join(homedir, 'src'), msuffix)
|
||||
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'))
|
||||
@ -124,9 +126,9 @@ if buildflag:
|
||||
if not os.path.exists("Makefile.lammps"):
|
||||
print("Creating Makefile.lammps")
|
||||
if os.path.exists("Makefile.lammps.%s" % msuffix):
|
||||
shutil.copyfile('Makefile.lammps.%s' % msuffix,'Makefile.lammps')
|
||||
shutil.copyfile('Makefile.lammps.%s' % msuffix, 'Makefile.lammps')
|
||||
else:
|
||||
shutil.copyfile('Makefile.lammps.default','Makefile.lammps')
|
||||
shutil.copyfile('Makefile.lammps.default', 'Makefile.lammps')
|
||||
else: print("Makefile.lammps exists. Please check its settings")
|
||||
|
||||
# create 2 links in lib/mscg to MS-CG src dir
|
||||
@ -136,5 +138,5 @@ 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")
|
||||
os.symlink(os.path.join(homedir,'src'),'includelink')
|
||||
os.symlink(os.path.join(homedir,'src'),'liblink')
|
||||
os.symlink(os.path.join(homedir, 'src'), 'includelink')
|
||||
os.symlink(os.path.join(homedir, 'src'), 'liblink')
|
||||
|
||||
@ -1,14 +1,17 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to download, unpack, build, and link to the plumed2 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 plumed2 library
|
||||
used to automate the steps described in the README file in this dir
|
||||
"""
|
||||
|
||||
from __future__ import print_function
|
||||
import sys,os,re,subprocess,hashlib,shutil
|
||||
sys.path.append('..')
|
||||
from install_helpers import get_cpus,fullpath,geturl,checkmd5sum
|
||||
import sys, os, 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")
|
||||
|
||||
@ -19,7 +22,7 @@ mode = "static"
|
||||
|
||||
# help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-plumed args="-b"
|
||||
or: make lib-plumed args="-b -v 2.4.3"
|
||||
or: make lib-plumed args="-p /usr/local/plumed2 -m shared"
|
||||
@ -57,13 +60,13 @@ parser.add_argument("-m", "--mode", default=mode, choices=['static', 'shared', '
|
||||
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
|
||||
plumedpath= args.path
|
||||
pathflag = args.path is not None
|
||||
plumedpath = args.path
|
||||
|
||||
homepath = fullpath('.')
|
||||
homedir = "%s/plumed2" % (homepath)
|
||||
@ -76,31 +79,31 @@ if pathflag:
|
||||
# download and unpack plumed2 tarball
|
||||
|
||||
if buildflag:
|
||||
url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
|
||||
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)
|
||||
geturl(url, filename)
|
||||
|
||||
# verify downloaded archive integrity via md5 checksum, if known.
|
||||
if version in checksums:
|
||||
if not checkmd5sum(checksums[version],filename):
|
||||
if not checkmd5sum(checksums[version], filename):
|
||||
sys.exit("Checksum for plumed2 library does not match")
|
||||
|
||||
print("Unpacking plumed2 source tarball ...")
|
||||
if os.path.exists("%s/plumed-%s" % (homepath,version)):
|
||||
shutil.rmtree("%s/plumed-%s" % (homepath,version))
|
||||
if os.path.exists("%s/plumed-%s" % (homepath, version)):
|
||||
shutil.rmtree("%s/plumed-%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))
|
||||
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 plumed
|
||||
print("Building plumed ...")
|
||||
n_cpus = get_cpus()
|
||||
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-modules=all --enable-static-patch ; make -j%d ; make install' % (homepath,version,homedir,n_cpus)
|
||||
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-modules=all --enable-static-patch ; make -j%d ; make install' % (homepath, version, homedir, n_cpus)
|
||||
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:
|
||||
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
|
||||
@ -113,20 +116,20 @@ 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")
|
||||
os.symlink(os.path.join(homedir,'include'),'includelink')
|
||||
libpath=os.path.join(homedir,'lib64')
|
||||
if not os.path.exists(libpath): libpath=os.path.join(homedir,'lib')
|
||||
os.symlink(libpath,'liblink')
|
||||
os.symlink(os.path.join(homedir, 'include'), 'includelink')
|
||||
libpath = os.path.join(homedir, 'lib64')
|
||||
if not os.path.exists(libpath):
|
||||
libpath = os.path.join(homedir, 'lib')
|
||||
os.symlink(libpath, 'liblink')
|
||||
if os.path.isfile("Makefile.lammps.%s" % mode):
|
||||
print("Creating Makefile.lammps")
|
||||
plumedinc = os.path.join('liblink','plumed','src','lib','Plumed.inc.' + mode)
|
||||
lines1 = open(plumedinc,'r').readlines()
|
||||
lines2 = open("Makefile.lammps.%s" % mode,'r').readlines()
|
||||
fp = open("Makefile.lammps",'w')
|
||||
fp.write(os.path.join("PLUMED_LIBDIR=",homedir,"lib\n"))
|
||||
plumedinc = os.path.join('liblink', 'plumed', 'src', 'lib', 'Plumed.inc.' + mode)
|
||||
lines1 = open(plumedinc, 'r').readlines()
|
||||
lines2 = open("Makefile.lammps.%s" % mode, 'r').readlines()
|
||||
fp = open("Makefile.lammps", 'w')
|
||||
fp.write(os.path.join("PLUMED_LIBDIR=", homedir, "lib\n"))
|
||||
for line in lines1:
|
||||
fp.write(line)
|
||||
for line in lines2:
|
||||
fp.write(line)
|
||||
fp.close()
|
||||
|
||||
|
||||
564
lib/pylint.rc
Normal file
564
lib/pylint.rc
Normal file
@ -0,0 +1,564 @@
|
||||
# pylint configuration for checking Install.py files in the lib folder and its subdirs
|
||||
|
||||
[MASTER]
|
||||
|
||||
# A comma-separated list of package or module names from where C extensions may
|
||||
# be loaded. Extensions are loading into the active Python interpreter and may
|
||||
# run arbitrary code.
|
||||
extension-pkg-whitelist=
|
||||
|
||||
# Add files or directories to the blacklist. They should be base names, not
|
||||
# paths.
|
||||
ignore=CVS
|
||||
|
||||
# Add files or directories matching the regex patterns to the blacklist. The
|
||||
# regex matches against base names, not paths.
|
||||
ignore-patterns=
|
||||
|
||||
# Python code to execute, usually for sys.path manipulation such as
|
||||
# pygtk.require().
|
||||
init-hook=sys.path.append('..')
|
||||
|
||||
# Use multiple processes to speed up Pylint. Specifying 0 will auto-detect the
|
||||
# number of processors available to use.
|
||||
jobs=1
|
||||
|
||||
# Control the amount of potential inferred values when inferring a single
|
||||
# object. This can help the performance when dealing with large functions or
|
||||
# complex, nested conditions.
|
||||
limit-inference-results=100
|
||||
|
||||
# List of plugins (as comma separated values of python modules names) to load,
|
||||
# usually to register additional checkers.
|
||||
load-plugins=
|
||||
|
||||
# Pickle collected data for later comparisons.
|
||||
persistent=yes
|
||||
|
||||
# Specify a configuration file.
|
||||
#rcfile=
|
||||
|
||||
# When enabled, pylint would attempt to guess common misconfiguration and emit
|
||||
# user-friendly hints instead of false-positive error messages.
|
||||
suggestion-mode=yes
|
||||
|
||||
# Allow loading of arbitrary C extensions. Extensions are imported into the
|
||||
# active Python interpreter and may run arbitrary code.
|
||||
unsafe-load-any-extension=no
|
||||
|
||||
|
||||
[MESSAGES CONTROL]
|
||||
|
||||
# Only show warnings with the listed confidence levels. Leave empty to show
|
||||
# all. Valid levels: HIGH, INFERENCE, INFERENCE_FAILURE, UNDEFINED.
|
||||
confidence=
|
||||
|
||||
# Disable the message, report, category or checker with the given id(s). You
|
||||
# can either give multiple identifiers separated by comma (,) or put this
|
||||
# option multiple times (only on the command line, not in the configuration
|
||||
# file where it should appear only once). You can also use "--disable=all" to
|
||||
# disable everything first and then reenable specific checks. For example, if
|
||||
# you want to run only the similarities checker, you can use "--disable=all
|
||||
# --enable=similarities". If you want to run only the classes checker, but have
|
||||
# no Warning level messages displayed, use "--disable=all --enable=classes
|
||||
# --disable=W".
|
||||
disable=print-statement,
|
||||
parameter-unpacking,
|
||||
unpacking-in-except,
|
||||
old-raise-syntax,
|
||||
backtick,
|
||||
long-suffix,
|
||||
old-ne-operator,
|
||||
old-octal-literal,
|
||||
import-star-module-level,
|
||||
non-ascii-bytes-literal,
|
||||
raw-checker-failed,
|
||||
bad-inline-option,
|
||||
locally-disabled,
|
||||
locally-enabled,
|
||||
file-ignored,
|
||||
suppressed-message,
|
||||
useless-suppression,
|
||||
deprecated-pragma,
|
||||
use-symbolic-message-instead,
|
||||
apply-builtin,
|
||||
basestring-builtin,
|
||||
buffer-builtin,
|
||||
cmp-builtin,
|
||||
coerce-builtin,
|
||||
execfile-builtin,
|
||||
file-builtin,
|
||||
long-builtin,
|
||||
raw_input-builtin,
|
||||
reduce-builtin,
|
||||
standarderror-builtin,
|
||||
unicode-builtin,
|
||||
xrange-builtin,
|
||||
coerce-method,
|
||||
delslice-method,
|
||||
getslice-method,
|
||||
setslice-method,
|
||||
no-absolute-import,
|
||||
old-division,
|
||||
dict-iter-method,
|
||||
dict-view-method,
|
||||
next-method-called,
|
||||
metaclass-assignment,
|
||||
indexing-exception,
|
||||
raising-string,
|
||||
reload-builtin,
|
||||
oct-method,
|
||||
hex-method,
|
||||
nonzero-method,
|
||||
cmp-method,
|
||||
input-builtin,
|
||||
round-builtin,
|
||||
intern-builtin,
|
||||
unichr-builtin,
|
||||
map-builtin-not-iterating,
|
||||
zip-builtin-not-iterating,
|
||||
range-builtin-not-iterating,
|
||||
filter-builtin-not-iterating,
|
||||
using-cmp-argument,
|
||||
eq-without-hash,
|
||||
div-method,
|
||||
idiv-method,
|
||||
rdiv-method,
|
||||
exception-message-attribute,
|
||||
invalid-str-codec,
|
||||
sys-max-int,
|
||||
bad-python3-import,
|
||||
deprecated-string-function,
|
||||
deprecated-str-translate-call,
|
||||
deprecated-itertools-function,
|
||||
deprecated-types-field,
|
||||
next-method-defined,
|
||||
dict-items-not-iterating,
|
||||
dict-keys-not-iterating,
|
||||
dict-values-not-iterating,
|
||||
deprecated-operator-function,
|
||||
deprecated-urllib-function,
|
||||
xreadlines-attribute,
|
||||
deprecated-sys-function,
|
||||
exception-escape,
|
||||
comprehension-escape,
|
||||
invalid-name,
|
||||
bad-indentation,
|
||||
multiple-imports,
|
||||
line-too-long
|
||||
|
||||
# Enable the message, report, category or checker with the given id(s). You can
|
||||
# either give multiple identifier separated by comma (,) or put this option
|
||||
# multiple time (only on the command line, not in the configuration file where
|
||||
# it should appear only once). See also the "--disable" option for examples.
|
||||
enable=c-extension-no-member
|
||||
|
||||
|
||||
[REPORTS]
|
||||
|
||||
# Python expression which should return a note less than 10 (10 is the highest
|
||||
# note). You have access to the variables errors warning, statement which
|
||||
# respectively contain the number of errors / warnings messages and the total
|
||||
# number of statements analyzed. This is used by the global evaluation report
|
||||
# (RP0004).
|
||||
evaluation=10.0 - ((float(5 * error + warning + refactor + convention) / statement) * 10)
|
||||
|
||||
# Template used to display messages. This is a python new-style format string
|
||||
# used to format the message information. See doc for all details.
|
||||
#msg-template=
|
||||
|
||||
# Set the output format. Available formats are text, parseable, colorized, json
|
||||
# and msvs (visual studio). You can also give a reporter class, e.g.
|
||||
# mypackage.mymodule.MyReporterClass.
|
||||
output-format=text
|
||||
|
||||
# Tells whether to display a full report or only the messages.
|
||||
reports=no
|
||||
|
||||
# Activate the evaluation score.
|
||||
score=yes
|
||||
|
||||
|
||||
[REFACTORING]
|
||||
|
||||
# Maximum number of nested blocks for function / method body
|
||||
max-nested-blocks=5
|
||||
|
||||
# Complete name of functions that never returns. When checking for
|
||||
# inconsistent-return-statements if a never returning function is called then
|
||||
# it will be considered as an explicit return statement and no message will be
|
||||
# printed.
|
||||
never-returning-functions=sys.exit
|
||||
|
||||
|
||||
[FORMAT]
|
||||
|
||||
# Expected format of line ending, e.g. empty (any line ending), LF or CRLF.
|
||||
expected-line-ending-format=
|
||||
|
||||
# Regexp for a line that is allowed to be longer than the limit.
|
||||
ignore-long-lines=^\s*(# )?<?https?://\S+>?$
|
||||
|
||||
# Number of spaces of indent required inside a hanging or continued line.
|
||||
indent-after-paren=4
|
||||
|
||||
# String used as indentation unit. This is usually " " (4 spaces) or "\t" (1
|
||||
# tab).
|
||||
indent-string=' '
|
||||
|
||||
# Maximum number of characters on a single line.
|
||||
max-line-length=100
|
||||
|
||||
# Maximum number of lines in a module.
|
||||
max-module-lines=1000
|
||||
|
||||
# List of optional constructs for which whitespace checking is disabled. `dict-
|
||||
# separator` is used to allow tabulation in dicts, etc.: {1 : 1,\n222: 2}.
|
||||
# `trailing-comma` allows a space between comma and closing bracket: (a, ).
|
||||
# `empty-line` allows space-only lines.
|
||||
no-space-check=trailing-comma,
|
||||
dict-separator
|
||||
|
||||
# Allow the body of a class to be on the same line as the declaration if body
|
||||
# contains single statement.
|
||||
single-line-class-stmt=no
|
||||
|
||||
# Allow the body of an if to be on the same line as the test if there is no
|
||||
# else.
|
||||
single-line-if-stmt=no
|
||||
|
||||
|
||||
[VARIABLES]
|
||||
|
||||
# List of additional names supposed to be defined in builtins. Remember that
|
||||
# you should avoid to define new builtins when possible.
|
||||
additional-builtins=
|
||||
|
||||
# Tells whether unused global variables should be treated as a violation.
|
||||
allow-global-unused-variables=yes
|
||||
|
||||
# List of strings which can identify a callback function by name. A callback
|
||||
# name must start or end with one of those strings.
|
||||
callbacks=cb_,
|
||||
_cb
|
||||
|
||||
# A regular expression matching the name of dummy variables (i.e. expected to
|
||||
# not be used).
|
||||
dummy-variables-rgx=_+$|(_[a-zA-Z0-9_]*[a-zA-Z0-9]+?$)|dummy|^ignored_|^unused_
|
||||
|
||||
# Argument names that match this expression will be ignored. Default to name
|
||||
# with leading underscore.
|
||||
ignored-argument-names=_.*|^ignored_|^unused_
|
||||
|
||||
# Tells whether we should check for unused import in __init__ files.
|
||||
init-import=no
|
||||
|
||||
# List of qualified module names which can have objects that can redefine
|
||||
# builtins.
|
||||
redefining-builtins-modules=six.moves,past.builtins,future.builtins,builtins,io
|
||||
|
||||
|
||||
[SIMILARITIES]
|
||||
|
||||
# Ignore comments when computing similarities.
|
||||
ignore-comments=yes
|
||||
|
||||
# Ignore docstrings when computing similarities.
|
||||
ignore-docstrings=yes
|
||||
|
||||
# Ignore imports when computing similarities.
|
||||
ignore-imports=no
|
||||
|
||||
# Minimum lines number of a similarity.
|
||||
min-similarity-lines=4
|
||||
|
||||
|
||||
[SPELLING]
|
||||
|
||||
# Limits count of emitted suggestions for spelling mistakes.
|
||||
max-spelling-suggestions=4
|
||||
|
||||
# Spelling dictionary name. Available dictionaries: none. To make it working
|
||||
# install python-enchant package..
|
||||
spelling-dict=
|
||||
|
||||
# List of comma separated words that should not be checked.
|
||||
spelling-ignore-words=
|
||||
|
||||
# A path to a file that contains private dictionary; one word per line.
|
||||
spelling-private-dict-file=
|
||||
|
||||
# Tells whether to store unknown words to indicated private dictionary in
|
||||
# --spelling-private-dict-file option instead of raising a message.
|
||||
spelling-store-unknown-words=no
|
||||
|
||||
|
||||
[LOGGING]
|
||||
|
||||
# Logging modules to check that the string format arguments are in logging
|
||||
# function parameter format.
|
||||
logging-modules=logging
|
||||
|
||||
|
||||
[MISCELLANEOUS]
|
||||
|
||||
# List of note tags to take in consideration, separated by a comma.
|
||||
notes=FIXME,
|
||||
XXX,
|
||||
TODO
|
||||
|
||||
|
||||
[TYPECHECK]
|
||||
|
||||
# List of decorators that produce context managers, such as
|
||||
# contextlib.contextmanager. Add to this list to register other decorators that
|
||||
# produce valid context managers.
|
||||
contextmanager-decorators=contextlib.contextmanager
|
||||
|
||||
# List of members which are set dynamically and missed by pylint inference
|
||||
# system, and so shouldn't trigger E1101 when accessed. Python regular
|
||||
# expressions are accepted.
|
||||
generated-members=
|
||||
|
||||
# Tells whether missing members accessed in mixin class should be ignored. A
|
||||
# mixin class is detected if its name ends with "mixin" (case insensitive).
|
||||
ignore-mixin-members=yes
|
||||
|
||||
# Tells whether to warn about missing members when the owner of the attribute
|
||||
# is inferred to be None.
|
||||
ignore-none=yes
|
||||
|
||||
# This flag controls whether pylint should warn about no-member and similar
|
||||
# checks whenever an opaque object is returned when inferring. The inference
|
||||
# can return multiple potential results while evaluating a Python object, but
|
||||
# some branches might not be evaluated, which results in partial inference. In
|
||||
# that case, it might be useful to still emit no-member and other checks for
|
||||
# the rest of the inferred objects.
|
||||
ignore-on-opaque-inference=yes
|
||||
|
||||
# List of class names for which member attributes should not be checked (useful
|
||||
# for classes with dynamically set attributes). This supports the use of
|
||||
# qualified names.
|
||||
ignored-classes=optparse.Values,thread._local,_thread._local
|
||||
|
||||
# List of module names for which member attributes should not be checked
|
||||
# (useful for modules/projects where namespaces are manipulated during runtime
|
||||
# and thus existing member attributes cannot be deduced by static analysis. It
|
||||
# supports qualified module names, as well as Unix pattern matching.
|
||||
ignored-modules=
|
||||
|
||||
# Show a hint with possible names when a member name was not found. The aspect
|
||||
# of finding the hint is based on edit distance.
|
||||
missing-member-hint=yes
|
||||
|
||||
# The minimum edit distance a name should have in order to be considered a
|
||||
# similar match for a missing member name.
|
||||
missing-member-hint-distance=1
|
||||
|
||||
# The total number of similar names that should be taken in consideration when
|
||||
# showing a hint for a missing member.
|
||||
missing-member-max-choices=1
|
||||
|
||||
|
||||
[BASIC]
|
||||
|
||||
# Naming style matching correct argument names.
|
||||
argument-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct argument names. Overrides argument-
|
||||
# naming-style.
|
||||
#argument-rgx=
|
||||
|
||||
# Naming style matching correct attribute names.
|
||||
attr-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct attribute names. Overrides attr-naming-
|
||||
# style.
|
||||
#attr-rgx=
|
||||
|
||||
# Bad variable names which should always be refused, separated by a comma.
|
||||
bad-names=foo,
|
||||
bar,
|
||||
baz,
|
||||
toto,
|
||||
tutu,
|
||||
tata
|
||||
|
||||
# Naming style matching correct class attribute names.
|
||||
class-attribute-naming-style=any
|
||||
|
||||
# Regular expression matching correct class attribute names. Overrides class-
|
||||
# attribute-naming-style.
|
||||
#class-attribute-rgx=
|
||||
|
||||
# Naming style matching correct class names.
|
||||
class-naming-style=PascalCase
|
||||
|
||||
# Regular expression matching correct class names. Overrides class-naming-
|
||||
# style.
|
||||
#class-rgx=
|
||||
|
||||
# Naming style matching correct constant names.
|
||||
const-naming-style=UPPER_CASE
|
||||
|
||||
# Regular expression matching correct constant names. Overrides const-naming-
|
||||
# style.
|
||||
#const-rgx=
|
||||
|
||||
# Minimum line length for functions/classes that require docstrings, shorter
|
||||
# ones are exempt.
|
||||
docstring-min-length=-1
|
||||
|
||||
# Naming style matching correct function names.
|
||||
function-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct function names. Overrides function-
|
||||
# naming-style.
|
||||
#function-rgx=
|
||||
|
||||
# Good variable names which should always be accepted, separated by a comma.
|
||||
good-names=i,
|
||||
j,
|
||||
k,
|
||||
ex,
|
||||
Run,
|
||||
_
|
||||
|
||||
# Include a hint for the correct naming format with invalid-name.
|
||||
include-naming-hint=no
|
||||
|
||||
# Naming style matching correct inline iteration names.
|
||||
inlinevar-naming-style=any
|
||||
|
||||
# Regular expression matching correct inline iteration names. Overrides
|
||||
# inlinevar-naming-style.
|
||||
#inlinevar-rgx=
|
||||
|
||||
# Naming style matching correct method names.
|
||||
method-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct method names. Overrides method-naming-
|
||||
# style.
|
||||
#method-rgx=
|
||||
|
||||
# Naming style matching correct module names.
|
||||
module-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct module names. Overrides module-naming-
|
||||
# style.
|
||||
#module-rgx=
|
||||
|
||||
# Colon-delimited sets of names that determine each other's naming style when
|
||||
# the name regexes allow several styles.
|
||||
name-group=
|
||||
|
||||
# Regular expression which should only match function or class names that do
|
||||
# not require a docstring.
|
||||
no-docstring-rgx=^_
|
||||
|
||||
# List of decorators that produce properties, such as abc.abstractproperty. Add
|
||||
# to this list to register other decorators that produce valid properties.
|
||||
# These decorators are taken in consideration only for invalid-name.
|
||||
property-classes=abc.abstractproperty
|
||||
|
||||
# Naming style matching correct variable names.
|
||||
variable-naming-style=snake_case
|
||||
|
||||
# Regular expression matching correct variable names. Overrides variable-
|
||||
# naming-style.
|
||||
#variable-rgx=
|
||||
|
||||
|
||||
[IMPORTS]
|
||||
|
||||
# Allow wildcard imports from modules that define __all__.
|
||||
allow-wildcard-with-all=no
|
||||
|
||||
# Analyse import fallback blocks. This can be used to support both Python 2 and
|
||||
# 3 compatible code, which means that the block might have code that exists
|
||||
# only in one or another interpreter, leading to false positives when analysed.
|
||||
analyse-fallback-blocks=no
|
||||
|
||||
# Deprecated modules which should not be used, separated by a comma.
|
||||
deprecated-modules=optparse,tkinter.tix
|
||||
|
||||
# Create a graph of external dependencies in the given file (report RP0402 must
|
||||
# not be disabled).
|
||||
ext-import-graph=
|
||||
|
||||
# Create a graph of every (i.e. internal and external) dependencies in the
|
||||
# given file (report RP0402 must not be disabled).
|
||||
import-graph=
|
||||
|
||||
# Create a graph of internal dependencies in the given file (report RP0402 must
|
||||
# not be disabled).
|
||||
int-import-graph=
|
||||
|
||||
# Force import order to recognize a module as part of the standard
|
||||
# compatibility libraries.
|
||||
known-standard-library=
|
||||
|
||||
# Force import order to recognize a module as part of a third party library.
|
||||
known-third-party=enchant
|
||||
|
||||
|
||||
[DESIGN]
|
||||
|
||||
# Maximum number of arguments for function / method.
|
||||
max-args=5
|
||||
|
||||
# Maximum number of attributes for a class (see R0902).
|
||||
max-attributes=7
|
||||
|
||||
# Maximum number of boolean expressions in an if statement.
|
||||
max-bool-expr=5
|
||||
|
||||
# Maximum number of branch for function / method body.
|
||||
max-branches=12
|
||||
|
||||
# Maximum number of locals for function / method body.
|
||||
max-locals=15
|
||||
|
||||
# Maximum number of parents for a class (see R0901).
|
||||
max-parents=7
|
||||
|
||||
# Maximum number of public methods for a class (see R0904).
|
||||
max-public-methods=20
|
||||
|
||||
# Maximum number of return / yield for function / method body.
|
||||
max-returns=6
|
||||
|
||||
# Maximum number of statements in function / method body.
|
||||
max-statements=50
|
||||
|
||||
# Minimum number of public methods for a class (see R0903).
|
||||
min-public-methods=2
|
||||
|
||||
|
||||
[CLASSES]
|
||||
|
||||
# List of method names used to declare (i.e. assign) instance attributes.
|
||||
defining-attr-methods=__init__,
|
||||
__new__,
|
||||
setUp
|
||||
|
||||
# List of member names, which should be excluded from the protected access
|
||||
# warning.
|
||||
exclude-protected=_asdict,
|
||||
_fields,
|
||||
_replace,
|
||||
_source,
|
||||
_make
|
||||
|
||||
# List of valid names for the first argument in a class method.
|
||||
valid-classmethod-first-arg=cls
|
||||
|
||||
# List of valid names for the first argument in a metaclass class method.
|
||||
valid-metaclass-classmethod-first-arg=cls
|
||||
|
||||
|
||||
[EXCEPTIONS]
|
||||
|
||||
# Exceptions that will emit a warning when being caught. Defaults to
|
||||
# "Exception".
|
||||
overgeneral-exceptions=Exception
|
||||
@ -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')
|
||||
|
||||
@ -1,14 +1,17 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to download, unpack, and point to the Eigen library
|
||||
# used to automate the steps described in the README file in this dir
|
||||
"""
|
||||
Install.py tool to download, unpack, and point to the Eigen library
|
||||
used to automate the steps described in the README file in this dir
|
||||
"""
|
||||
|
||||
from __future__ import print_function
|
||||
import sys,os,re,glob,subprocess,shutil,tarfile
|
||||
sys.path.append('..')
|
||||
from install_helpers import fullpath,geturl,checkmd5sum
|
||||
import sys, os, glob, shutil, tarfile
|
||||
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")
|
||||
|
||||
@ -27,7 +30,7 @@ checksums = { \
|
||||
|
||||
# help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-smd args="-b"
|
||||
or: make lib-smd args="-p /usr/include/eigen3"
|
||||
|
||||
@ -52,20 +55,21 @@ 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)
|
||||
|
||||
homepath = fullpath(".")
|
||||
eigenpath = os.path.join(homepath,"eigen3")
|
||||
eigenpath = os.path.join(homepath, "eigen3")
|
||||
|
||||
buildflag = args.build
|
||||
pathflag = args.path != None
|
||||
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)
|
||||
if not os.path.isdir(eigenpath):
|
||||
sys.exit("Eigen path %s does not exist" % eigenpath)
|
||||
eigenpath = fullpath(eigenpath)
|
||||
|
||||
# download and unpack Eigen tarball
|
||||
@ -73,19 +77,19 @@ if pathflag:
|
||||
|
||||
if buildflag:
|
||||
print("Downloading Eigen ...")
|
||||
eigentar = os.path.join(homepath,tarball)
|
||||
eigentar = os.path.join(homepath, tarball)
|
||||
url = "http://bitbucket.org/eigen/eigen/get/%s.tar.gz" % version
|
||||
geturl(url,eigentar)
|
||||
geturl(url, eigentar)
|
||||
|
||||
# verify downloaded archive integrity via md5 checksum, if known.
|
||||
if version in checksums:
|
||||
print("checking version %s\n" % version)
|
||||
if not checkmd5sum(checksums[version],eigentar):
|
||||
if not checkmd5sum(checksums[version], eigentar):
|
||||
sys.exit("Checksum for Eigen library does not match")
|
||||
|
||||
|
||||
print("Cleaning up old folders ...")
|
||||
edir = glob.glob(os.path.join(homepath,"eigen-eigen-*"))
|
||||
edir = glob.glob(os.path.join(homepath, "eigen-eigen-*"))
|
||||
edir.append(eigenpath)
|
||||
for one in edir:
|
||||
if os.path.isdir(one):
|
||||
@ -98,8 +102,8 @@ if buildflag:
|
||||
os.remove(eigentar)
|
||||
else:
|
||||
sys.exit("File %s is not a supported archive" % eigentar)
|
||||
edir = glob.glob(os.path.join(homepath,"eigen-eigen-*"))
|
||||
os.rename(edir[0],eigenpath)
|
||||
edir = glob.glob(os.path.join(homepath, "eigen-eigen-*"))
|
||||
os.rename(edir[0], eigenpath)
|
||||
|
||||
# create link in lib/smd to Eigen src dir
|
||||
|
||||
@ -107,4 +111,4 @@ print("Creating link to Eigen include folder")
|
||||
if os.path.isfile("includelink") or os.path.islink("includelink"):
|
||||
os.remove("includelink")
|
||||
linkdir = eigenpath
|
||||
os.symlink(linkdir,'includelink')
|
||||
os.symlink(linkdir, 'includelink')
|
||||
|
||||
@ -1,14 +1,17 @@
|
||||
#!/usr/bin/env python
|
||||
|
||||
# Install.py tool to download, unpack, build, and link to the Voro++ 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 Voro++ 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 get_cpus,fullpath,geturl,checkmd5sum
|
||||
import sys, os, subprocess, shutil, tarfile
|
||||
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")
|
||||
|
||||
@ -24,7 +27,7 @@ checksums = { \
|
||||
|
||||
# extra help message
|
||||
|
||||
help = """
|
||||
HELP = """
|
||||
Syntax from src dir: make lib-voronoi args="-b"
|
||||
or: make lib-voronoi args="-p /usr/local/voro++-0.4.6"
|
||||
or: make lib-voronoi args="-b -v voro++-0.4.6"
|
||||
@ -52,16 +55,16 @@ 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
|
||||
voropath = args.path
|
||||
|
||||
homepath = fullpath(".")
|
||||
homedir = os.path.join(homepath,version)
|
||||
homedir = os.path.join(homepath, version)
|
||||
|
||||
if pathflag:
|
||||
if not os.path.isdir(voropath):
|
||||
@ -72,17 +75,18 @@ if pathflag:
|
||||
|
||||
if buildflag:
|
||||
print("Downloading Voro++ ...")
|
||||
vorotar = os.path.join(homepath,version) + '.tar.gz'
|
||||
geturl(url,vorotar)
|
||||
vorotar = os.path.join(homepath, version) + '.tar.gz'
|
||||
geturl(url, vorotar)
|
||||
|
||||
# verify downloaded archive integrity via md5 checksum, if known.
|
||||
if version in checksums:
|
||||
if not checkmd5sum(checksums[version],vorotar):
|
||||
if not checkmd5sum(checksums[version], vorotar):
|
||||
sys.exit("Checksum for Voro++ library does not match")
|
||||
|
||||
print("Unpacking Voro++ tarball ...")
|
||||
srcpath = os.path.join(homepath,version)
|
||||
if os.path.exists(srcpath): shutil.rmtree(srcpath)
|
||||
srcpath = os.path.join(homepath, version)
|
||||
if os.path.exists(srcpath):
|
||||
shutil.rmtree(srcpath)
|
||||
if tarfile.is_tarfile(vorotar):
|
||||
tgz = tarfile.open(vorotar)
|
||||
tgz.extractall(path=homepath)
|
||||
@ -90,8 +94,9 @@ if buildflag:
|
||||
else:
|
||||
sys.exit("File %s is not a supported archive" % vorotar)
|
||||
if os.path.basename(homedir) != version:
|
||||
if os.path.exists(homedir): shutil.rmtree(homedir)
|
||||
os.rename(srcpath,homedir)
|
||||
if os.path.exists(homedir):
|
||||
shutil.rmtree(homedir)
|
||||
os.rename(srcpath, homedir)
|
||||
|
||||
# build Voro++
|
||||
|
||||
@ -99,7 +104,7 @@ if buildflag:
|
||||
print("Building Voro++ ...")
|
||||
cmd = 'cd "%s"; make CXX=g++ CFLAGS="-fPIC -O3"' % homedir
|
||||
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:
|
||||
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
|
||||
@ -112,5 +117,5 @@ 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")
|
||||
os.symlink(os.path.join(homedir,'src'),'includelink')
|
||||
os.symlink(os.path.join(homedir,'src'),'liblink')
|
||||
os.symlink(os.path.join(homedir, 'src'), 'includelink')
|
||||
os.symlink(os.path.join(homedir, 'src'), 'liblink')
|
||||
|
||||
Reference in New Issue
Block a user