Commit 14653524 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

some cleanups and small bugfixes to conform better with python conventions

parent 0cae6193

lib/Install.py

+22 −16
Original line number Diff line number Diff line 
#!/usr/bin/env python



# install.py tool to do a generic build of a library

# soft linked to by many of the lib/Install.py files

# used to automate the steps described in the corresponding lib/README

"""

Install.py tool to do a generic build of a library

soft linked to by many of the lib/Install.py files

used to automate the steps described in the corresponding lib/README

"""



from __future__ import print_function

import sys, os, subprocess

from argparse import ArgumentParser



sys.path.append('..')

from install_helpers import get_cpus, fullpath

from argparse import ArgumentParser



parser = ArgumentParser(prog='Install.py',

                        description="LAMMPS library build wrapper script")



help = """

HELP = """

Syntax from src dir: make lib-libname args="-m machine -e suffix"

Syntax from lib dir: python Install.py -m machine -e suffix
@@ -39,10 +42,11 @@ 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)

  sys.exit(HELP)



machine = args.machine

extraflag = args.extramake

extraflag = not args.extramake

suffix = args.extramake



# set lib from working dir
@@ -81,8 +85,10 @@ except subprocess.CalledProcessError as e: 
  print("Make failed with:\n %s" % e.output.decode('UTF-8'))

  sys.exit(1)



if os.path.exists("lib%s.a" % lib): print("Build was successful")

else: sys.exit("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

if os.path.exists("lib%s.a" % lib):

  print("Build was successful")

else:

  sys.exit("Build of lib/%s/lib%s.a was NOT successful" % (lib, lib))



if has_extramake and not os.path.exists("Makefile.lammps"):

  print("WARNING: lib/%s/Makefile.lammps was NOT created" % lib)

lib/gpu/Install.py

+26 −21
Original line number Diff line number Diff line 
#!/usr/bin/env python



# Install.py tool to build the GPU library

# used to automate the steps described in the README file in this dir

"""

Install.py tool to build the GPU library

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 get_cpus

from argparse import ArgumentParser



parser = ArgumentParser(prog='Install.py',

                        description="LAMMPS library build wrapper script")



# help message



help = """

HELP = """

Syntax from src dir: make lib-gpu args="-m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix"

Syntax from lib dir: python Install.py -m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix
@@ -56,9 +59,9 @@ parser.add_argument("-o", "--output", 
args = parser.parse_args()



# print help message and exit, if neither build nor output options are given

if args.build == False and not args.output:

if not args.build and not args.output:

  parser.print_help()

  sys.exit(help)

  sys.exit(HELP)



hflag = 0

eflag = 0
@@ -71,9 +74,12 @@ if args.build: 
isuffix = args.machine

arch = args.arch



if args.precision == "double": precstr = "-D_DOUBLE_DOUBLE"

elif args.precision == "mixed": precstr = "-D_SINGLE_DOUBLE"

else: precstr = "-D_SINGLE_SINGLE"

if args.precision == "double":

  precstr = "-D_DOUBLE_DOUBLE"

elif args.precision == "mixed":

  precstr = "-D_SINGLE_DOUBLE"

else:

  precstr = "-D_SINGLE_SINGLE"



lmpsuffix = args.extramake
@@ -138,4 +144,3 @@ if makeflag: 
if outflag:

  print("Creating new Makefile.%s" % osuffix)

  shutil.copyfile("Makefile.auto", "Makefile.%s" % osuffix)

lib/kim/Install.py

+47 −37
Original line number Diff line number Diff line 
#!/usr/bin/env python



# install.py tool to download, compile, and setup the kim-api library

# used to automate the steps described in the README file in this dir

"""

Install.py tool to download, compile, and setup the kim-api 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

import sys, os, subprocess, shutil

from argparse import ArgumentParser



sys.path.append('..')

from install_helpers import fullpath, geturl

from argparse import ArgumentParser



parser = ArgumentParser(prog='Install.py',

                        description="LAMMPS library build wrapper script")
@@ -19,7 +22,7 @@ version = "kim-api-v1.9.5" 


# help message



help = """

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"
@@ -64,13 +67,13 @@ parser.add_argument("-vv", "--verbose", action="store_true", 
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 and args.nobuild == False:

if not args.build and not args.path and not args.nobuild:

  parser.print_help()

  sys.exit(help)

  sys.exit(HELP)



buildflag = args.build

pathflag = args.path != None

addflag = args.add != None

pathflag = args.path is not None

addflag = args.add is not None

addmodelname = args.add

everythingflag = False

if addflag and addmodelname == "everything":
@@ -81,7 +84,8 @@ verboseflag = args.verbose 
if pathflag:

  buildflag = False

  kimdir = args.path

  if not os.path.isdir(kimdir): sys.exit("KIM API path %s does not exist" % kimdir)

  if not os.path.isdir(kimdir):

    sys.exit("KIM API path %s does not exist" % kimdir)

  kimdir = fullpath(kimdir)



url = "https://s3.openkim.org/kim-api/%s.txz" % version
@@ -139,24 +143,28 @@ if buildflag: 
  print("Building kim-api ...")

  cmd = 'cd "%s/%s"; make' % (thisdir, version)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag: print(txt.decode("UTF-8"))

  if verboseflag:

    print(txt.decode("UTF-8"))



  # install kim-api



  print("Installing kim-api ...")

  cmd = 'cd "%s/%s"; make install' % (thisdir, version)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag: print(txt.decode("UTF-8"))

  if verboseflag:

    print(txt.decode("UTF-8"))



  # remove source files



  print("Building and installing example Models")

  cmd = 'cd "%s/%s/examples"; make model-drivers-all-system' % (thisdir, version)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag: print (txt.decode("UTF-8"))

  if verboseflag:

    print(txt.decode("UTF-8"))

  cmd = 'cd "%s/%s/examples"; make models-all-system' % (thisdir, version)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag: print (txt.decode("UTF-8"))

  if verboseflag:

    print(txt.decode("UTF-8"))



  print("Removing kim-api source and build files ...")

  cmd = 'cd "%s"; rm -rf %s; rm -rf %s.txz' % (thisdir, version, version)
@@ -167,7 +175,8 @@ if buildflag: 
    print("Adding all OpenKIM models, this will take a while ...")

    cmd = '%s/bin/kim-api-v1-collections-management install system OpenKIM' % (kimdir)

    txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

    if verboseflag: print(txt.decode("UTF-8"))

    if verboseflag:

      print(txt.decode("UTF-8"))



# add single OpenKIM model

if addflag:
@@ -183,4 +192,5 @@ if addflag: 
  # download single model

  cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)

  txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)

  if verboseflag: print (txt.decode("UTF-8"))
 
  if verboseflag:

    print(txt.decode("UTF-8"))

lib/latte/Install.py

+25 −20
Original line number Diff line number Diff line 
#!/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"
@@ -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
@@ -127,7 +131,8 @@ 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')

lib/message/Install.py

+22 −17
Original line number Diff line number Diff line 
#!/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
@@ -70,10 +73,12 @@ except subprocess.CalledProcessError as e: 
    sys.exit(1)



slb = os.path.join(srcdir, "libcsnompi.a")

if mpiflag: slb = os.path.join(srcdir,"libcsmpi.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"

if zmqflag:

  smk = "Makefile.lammps.zmq"

shutil.copyfile(smk, "Makefile.lammps")

print("Using %s for Makefile.lammps" % smk)

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