205 lines
6.2 KiB
Python
205 lines
6.2 KiB
Python
#!/usr/bin/env python
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# Install.py tool to download, unpack, build, and link to the plumed2 library
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# used to automate the steps described in the README file in this dir
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from __future__ import print_function
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import sys,os,re,subprocess,hashlib
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# help message
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help = """
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Syntax from src dir: make lib-plumed args="-b"
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or: make lib-plumed args="-b -v 2.4.3"
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or: make lib-plumed args="-p /usr/local/plumed2 -m shared"
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Syntax from lib dir: python Install.py -b -v 2.4.3
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or: python Install.py -b
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or: python Install.py -p /usr/local/plumed2 -m shared
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specify one or more options, order does not matter
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-b = download and build the plumed2 library
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-v = set version of plumed2 to download and build (default: 2.4.3)
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-p = specify folder of existing plumed2 installation
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-m = set plumed linkage mode: static (default), shared, or runtime
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Example:
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make lib-plumed args="-b" # download/build in lib/plumed/plumed2
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make lib-plumed args="-p $HOME/plumed2 -m shared" # use existing Plumed2 installation in $HOME/plumed2
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"""
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# settings
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version = "2.4.3"
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mode = "static"
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# known checksums for different PLUMED versions. used to validate the download.
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checksums = { \
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'2.4.2' : '88188743a6e03ef076e5377d03ebb0e7', \
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'2.4.3' : 'b1be7c48971627febc11c61b70767fc5', \
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'2.5b' : 'e341bdef469be1da058b8a0b97a3db22', \
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}
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# print error message or help
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def error(str=None):
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if not str: print(help)
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else: print("ERROR",str)
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sys.exit()
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# expand to full path name
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# process leading '~' or relative path
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def fullpath(path):
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return os.path.abspath(os.path.expanduser(path))
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def which(program):
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def is_exe(fpath):
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return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
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fpath, fname = os.path.split(program)
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if fpath:
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if is_exe(program):
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return program
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else:
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for path in os.environ["PATH"].split(os.pathsep):
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path = path.strip('"')
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exe_file = os.path.join(path, program)
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if is_exe(exe_file):
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return exe_file
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return None
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def geturl(url,fname):
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success = False
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if which('curl') != None:
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cmd = 'curl -L -o "%s" %s' % (fname,url)
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try:
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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success = True
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except subprocess.CalledProcessError as e:
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print("Calling curl failed with: %s" % e.output.decode('UTF-8'))
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if not success and which('wget') != None:
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cmd = 'wget -O "%s" %s' % (fname,url)
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try:
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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success = True
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except subprocess.CalledProcessError as e:
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print("Calling wget failed with: %s" % e.output.decode('UTF-8'))
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if not success:
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error("Failed to download source code with 'curl' or 'wget'")
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return
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def checkmd5sum(md5sum,fname):
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with open(fname,'rb') as fh:
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m = hashlib.md5()
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while True:
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data = fh.read(81920)
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if not data:
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break
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m.update(data)
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fh.close()
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return m.hexdigest() == md5sum
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# parse args
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args = sys.argv[1:]
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nargs = len(args)
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if nargs == 0: error()
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homepath = "."
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buildflag = False
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pathflag = False
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suffixflag = False
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linkflag = True
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iarg = 0
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while iarg < nargs:
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if args[iarg] == "-v":
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if iarg+2 > nargs: error()
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version = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-p":
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if iarg+2 > nargs: error()
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plumedpath = fullpath(args[iarg+1])
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pathflag = True
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iarg += 2
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elif args[iarg] == "-m":
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if iarg+2 > nargs: error()
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mode = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-b":
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buildflag = True
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iarg += 1
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else: error()
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homepath = fullpath(homepath)
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if (pathflag):
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if not os.path.isdir(plumedpath): error("Plumed2 path does not exist")
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homedir = plumedpath
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if (buildflag and pathflag):
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error("Cannot use -b and -p flag at the same time")
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if (not buildflag and not pathflag):
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error("Have to use either -b or -p flag")
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if ((mode != "static") and (mode != "shared") and (mode != "runtime")):
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error("Unknown linkage mode '%s' for Plumed" % mode)
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# download and unpack plumed2 tarball
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if buildflag:
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url = "https://github.com/plumed/plumed2/releases/download/v%s/plumed-src-%s.tgz" % (version,version)
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filename = "plumed-src-%s.tar.gz" %version
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print("Downloading plumed ...")
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geturl(url,filename)
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# verify downloaded archive integrity via md5 checksum, if known.
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if version in checksums:
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if not checkmd5sum(checksums[version],filename):
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error("Checksum for plumed2 library does not match")
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print("Unpacking plumed2 source tarball ...")
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if os.path.exists("%s/plumed-%s" % (homepath,version)):
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cmd = 'rm -rf "%s/plumed-%s"' % (homepath,version)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if os.path.exists("%s/plumed2" % (homepath)):
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cmd = 'rm -rf "%s/plumed2"' % (homepath)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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cmd = 'cd "%s"; tar -xzvf %s' % (homepath,filename)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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os.remove("%s/%s" % (homepath,filename))
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# build plumed
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if buildflag:
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print("Building plumed ...")
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cmd = 'cd %s/plumed-%s; ./configure --prefix=%s/plumed2 --enable-static-patch ; make ; make install' % (homepath,version,homepath)
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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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#
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# create 2 links in lib/plumed to plumed2 installation dir
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if linkflag:
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print("Creating links to plumed2 include and lib files")
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if os.path.isfile("includelink") or os.path.islink("includelink"):
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os.remove("includelink")
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if os.path.isfile("liblink") or os.path.islink("liblink"):
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os.remove("liblink")
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cmd = 'ln -s "%s/include" includelink' % homedir
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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cmd = 'ln -s "%s/lib" liblink' % homedir
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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if os.path.isfile("Makefile.lammps.%s" % mode):
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print("Creating Makefile.lammps")
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cmd = 'echo PLUMED_LIBDIR="%s/lib" > Makefile.lammps; cat liblink/plumed/src/lib/Plumed.inc.%s Makefile.lammps.%s >> Makefile.lammps' % (homedir,mode,mode)
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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