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more Install.py refactoring

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This commit is contained in:
Axel Kohlmeyer
2018-12-03 19:47:10 -05:00
parent 4168855ba3
commit be721fe75a
3 changed files with 37 additions and 195 deletions
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70
lib/kim/Install.py
View File

@ -5,6 +5,8 @@
from __future__ import print_function from __future__ import print_function
import sys,os,re,subprocess,shutil import sys,os,re,subprocess,shutil
sys.path.append('..')
from install_helpers import error,fullpath,which,geturl
# help message # help message
@ -51,64 +53,13 @@ https://openkim.org/kim-api
in the "What is in the KIM API source package?" section in the "What is in the KIM API source package?" section
""" """
def error(str=None):
if not str: print(help)
else: print("ERROR",str)
sys.exit()
# expand to full path name
# process leading '~' or relative path
def fullpath(path):
return os.path.abspath(os.path.expanduser(path))
def which(program):
def is_exe(fpath):
return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
fpath, fname = os.path.split(program)
if fpath:
if is_exe(program):
return program
else:
for path in os.environ["PATH"].split(os.pathsep):
path = path.strip('"')
exe_file = os.path.join(path, program)
if is_exe(exe_file):
return exe_file
return None
def geturl(url,fname):
success = False
if which('curl') != None:
cmd = 'curl -L -o "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
if not success and which('wget') != None:
cmd = 'wget -O "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
if not success:
error("Failed to download source code with 'curl' or 'wget'")
return
# parse args # parse args
args = sys.argv[1:] args = sys.argv[1:]
nargs = len(args) nargs = len(args)
if nargs == 0: error() if nargs == 0: error(help=help)
thisdir = os.environ['PWD'] thisdir = fullpath('.')
version = "kim-api-v1.9.5" version = "kim-api-v1.9.5"
buildflag = False buildflag = False
@ -120,7 +71,7 @@ pathflag = False
iarg = 0 iarg = 0
while iarg < len(args): while iarg < len(args):
if args[iarg] == "-v": if args[iarg] == "-v":
if iarg+2 > len(args): error() if iarg+2 > len(args): error(help=help)
version = args[iarg+1] version = args[iarg+1]
iarg += 2 iarg += 2
elif args[iarg] == "-b": elif args[iarg] == "-b":
@ -130,14 +81,14 @@ while iarg < len(args):
buildflag = False buildflag = False
iarg += 1 iarg += 1
elif args[iarg] == "-p": elif args[iarg] == "-p":
if iarg+2 > len(args): error() if iarg+2 > len(args): error(help=help)
kimdir = fullpath(args[iarg+1]) kimdir = fullpath(args[iarg+1])
pathflag = True pathflag = True
buildflag = False buildflag = False
iarg += 2 iarg += 2
elif args[iarg] == "-a": elif args[iarg] == "-a":
addflag = True addflag = True
if iarg+2 > len(args): error() if iarg+2 > len(args): error(help=help)
addmodelname = args[iarg+1] addmodelname = args[iarg+1]
if addmodelname == "everything": if addmodelname == "everything":
buildflag = True buildflag = True
@ -147,9 +98,8 @@ while iarg < len(args):
elif args[iarg] == "-vv": elif args[iarg] == "-vv":
verboseflag = True verboseflag = True
iarg += 1 iarg += 1
else: error() else: error(help=help)
thisdir = os.path.abspath(thisdir)
url = "https://s3.openkim.org/kim-api/%s.txz" % version url = "https://s3.openkim.org/kim-api/%s.txz" % version
# set KIM API directory # set KIM API directory
@ -157,7 +107,7 @@ url = "https://s3.openkim.org/kim-api/%s.txz" % version
if pathflag: if pathflag:
if not os.path.isdir(kimdir): if not os.path.isdir(kimdir):
print("\nkim-api is not installed at %s" % kimdir) print("\nkim-api is not installed at %s" % kimdir)
error() error(help=help)
# configure LAMMPS to use existing kim-api installation # configure LAMMPS to use existing kim-api installation
with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile: with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
@ -247,7 +197,7 @@ if addflag:
if not os.path.isdir(kimdir): if not os.path.isdir(kimdir):
print("\nkim-api is not installed") print("\nkim-api is not installed")
error() error(help=help)
# download single model # download single model
cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname) cmd = '%s/bin/kim-api-v1-collections-management install system %s' % (kimdir.decode("UTF-8"), addmodelname)

85
lib/plumed/Install.py
View File

@ -5,6 +5,8 @@
from __future__ import print_function from __future__ import print_function
import sys,os,re,subprocess,hashlib,shutil import sys,os,re,subprocess,hashlib,shutil
sys.path.append('..')
from install_helpers import error,get_cpus,fullpath,which,geturl,checkmd5sum
# help message # help message
@ -42,74 +44,11 @@ checksums = { \
'2.5b' : 'e341bdef469be1da058b8a0b97a3db22', \ '2.5b' : 'e341bdef469be1da058b8a0b97a3db22', \
} }
# print error message or help
def error(str=None):
if not str: print(help)
else: print("ERROR",str)
sys.exit()
# expand to full path name
# process leading '~' or relative path
def fullpath(path):
return os.path.abspath(os.path.expanduser(path))
def which(program):
def is_exe(fpath):
return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
fpath, fname = os.path.split(program)
if fpath:
if is_exe(program):
return program
else:
for path in os.environ["PATH"].split(os.pathsep):
path = path.strip('"')
exe_file = os.path.join(path, program)
if is_exe(exe_file):
return exe_file
return None
def geturl(url,fname):
success = False
if which('curl') != None:
cmd = 'curl -L -o "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
if not success and which('wget') != None:
cmd = 'wget -O "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
if not success:
error("Failed to download source code with 'curl' or 'wget'")
return
def checkmd5sum(md5sum,fname):
with open(fname,'rb') as fh:
m = hashlib.md5()
while True:
data = fh.read(81920)
if not data:
break
m.update(data)
fh.close()
return m.hexdigest() == md5sum
# parse args # parse args
args = sys.argv[1:] args = sys.argv[1:]
nargs = len(args) nargs = len(args)
if nargs == 0: error() if nargs == 0: error(help=help)
homepath = "." homepath = "."
@ -121,22 +60,22 @@ linkflag = True
iarg = 0 iarg = 0
while iarg < nargs: while iarg < nargs:
if args[iarg] == "-v": if args[iarg] == "-v":
if iarg+2 > nargs: error() if iarg+2 > nargs: error(help=help)
version = args[iarg+1] version = args[iarg+1]
iarg += 2 iarg += 2
elif args[iarg] == "-p": elif args[iarg] == "-p":
if iarg+2 > nargs: error() if iarg+2 > nargs: error(help=help)
plumedpath = fullpath(args[iarg+1]) plumedpath = fullpath(args[iarg+1])
pathflag = True pathflag = True
iarg += 2 iarg += 2
elif args[iarg] == "-m": elif args[iarg] == "-m":
if iarg+2 > nargs: error() if iarg+2 > nargs: error(help=help)
mode = args[iarg+1] mode = args[iarg+1]
iarg += 2 iarg += 2
elif args[iarg] == "-b": elif args[iarg] == "-b":
buildflag = True buildflag = True
iarg += 1 iarg += 1
else: error() else: error(help=help)
homepath = fullpath(homepath) homepath = fullpath(homepath)
homedir = "%s/plumed2" % (homepath) homedir = "%s/plumed2" % (homepath)
@ -178,14 +117,14 @@ if buildflag:
# build plumed # build plumed
print("Building plumed ...") print("Building plumed ...")
try: n_cpus = get_cpus()
import multiprocessing
n_cpus = multiprocessing.cpu_count()
except:
n_cpus = 1
cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --enable-static-patch ; make -j%d ; make install' % (homepath,version,homedir,n_cpus) cmd = 'cd %s/plumed-%s; ./configure --prefix=%s --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')) print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
sys.exit(1)
# create 2 links in lib/plumed to plumed2 installation dir # create 2 links in lib/plumed to plumed2 installation dir

69
lib/scafacos/Install.py
View File

@ -5,6 +5,8 @@
from __future__ import print_function from __future__ import print_function
import sys,os,re,subprocess,shutil import sys,os,re,subprocess,shutil
sys.path.append('..')
from install_helpers import error,fullpath,which,geturl
# help message # help message
@ -33,60 +35,6 @@ version = "scafacos-1.0.1"
url = "https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz" url = "https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz"
#url = "https://gigamove.rz.rwth-aachen.de/d/id/CTzyApN76MXMJ6/dd/100" % version #url = "https://gigamove.rz.rwth-aachen.de/d/id/CTzyApN76MXMJ6/dd/100" % version
# print error message or help
def error(str=None):
if not str: print(help)
else: print("ERROR",str)
sys.exit()
# expand to full path name
# process leading '~' or relative path
def fullpath(path):
return os.path.abspath(os.path.expanduser(path))
def which(program):
def is_exe(fpath):
return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
fpath, fname = os.path.split(program)
if fpath:
if is_exe(program):
return program
else:
for path in os.environ["PATH"].split(os.pathsep):
path = path.strip('"')
exe_file = os.path.join(path, program)
if is_exe(exe_file):
return exe_file
return None
def geturl(url,fname):
success = False
if which('curl') != None:
cmd = 'curl -L -o "%s" %s' % (fname,url)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
if not success and which('wget') != None:
cmd = 'wget -O "%s" %s' % (fname,url)
print("Wget command: %s" % cmd)
try:
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
success = True
except subprocess.CalledProcessError as e:
print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
if not success:
error("Failed to download source code with 'curl' or 'wget'")
return
# parse args # parse args
args = sys.argv[1:] args = sys.argv[1:]
@ -101,18 +49,18 @@ linkflag = True
iarg = 0 iarg = 0
while iarg < nargs: while iarg < nargs:
if args[iarg] == "-v": if args[iarg] == "-v":
if iarg+2 > nargs: error() if iarg+2 > nargs: error(help=help)
version = args[iarg+1] version = args[iarg+1]
iarg += 2 iarg += 2
elif args[iarg] == "-p": elif args[iarg] == "-p":
if iarg+2 > nargs: error() if iarg+2 > nargs: error(help=help)
scafacospath = fullpath(args[iarg+1]) scafacospath = fullpath(args[iarg+1])
pathflag = True pathflag = True
iarg += 2 iarg += 2
elif args[iarg] == "-b": elif args[iarg] == "-b":
buildflag = True buildflag = True
iarg += 1 iarg += 1
else: error() else: error(help=help)
homepath = fullpath(homepath) homepath = fullpath(homepath)
homedir = "%s/%s" % (homepath,version) homedir = "%s/%s" % (homepath,version)
@ -145,9 +93,14 @@ if buildflag:
if buildflag: if buildflag:
print("Building Scafacos ...") print("Building Scafacos ...")
cmd = 'cd "%s"; ./configure --prefix="`pwd`/build" --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= > log.txt; make -j; make install' % homedir n_cpu = get_gpus()
cmd = 'cd "%s"; ./configure --prefix="%s/build" --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' % (homedir,homedir,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')) print(txt.decode('UTF-8'))
except subprocess.CalledProcessError as e:
print("Make failed with:\n %s" % e.output.decode('UTF-8'))
sys.exit(1)
# create 2 links in lib/scafacos to Scafacos include/lib dirs # create 2 links in lib/scafacos to Scafacos include/lib dirs