forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
5ae8de8f47
commit
c560bd50cb
880
src/Make.py
880
src/Make.py
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@ -1,880 +0,0 @@
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#!/usr/bin/env python
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# if necessary, edit preceding line to point to your Python
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# or launch as "python Make.py ..."
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# Purpose: manage LAMMPS packages, external libraries, and builds
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# create a version of LAMMPS specific to an input script(s)
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# Syntax: Make.py switch args ...
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# Help: type Make.py or Make.py -h
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# -----------------------------------------------------------------------
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# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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# http://lammps.sandia.gov, Sandia National Laboratories
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# Steve Plimpton, sjplimp@sandia.gov
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#
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# Copyright (2003) Sandia Corporation. Under the terms of Contract
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# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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# certain rights in this software. This software is distributed under
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# the GNU General Public License.
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#
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# See the README file in the top-level LAMMPS directory.
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# -----------------------------------------------------------------------
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# hi-level tasks that can be performed:
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# install/uninstall packages and build the associated external libs
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# use -p and -u and -e
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# install packages needed for input script(s)
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# use -i and -p
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# create new dir with only the source code needed for input script(s)
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# use -i and -n
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# build LAMMPS, either in src or new dir
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# use -b
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# data structures:
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# packstd list = ["COLLOID", "GPU", ...]
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# packuser list = ["USER-SPH", "USER-EWALDN", ...]
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# cfiles,hfiles dicts of LAMMPS *.cpp,*.h files =
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# {"fix_nve.cpp": "", "angle_diplole.cpp": "USER-MISC", ...}
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# cdep,hdep dicts of files with list of LAMMPS *.h files they include =
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# {"fix_nve.cpp": ['fix_nve.h', 'atom.h', 'force.h', ...'], ...}
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# creq,hreq lists of src files needed to build LAMMPS for input scripts =
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# ["main.cpp", "atom.cpp", ...]
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# ISSUES:
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# see KLUDGE comments
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# add more general input script parsing, see NOTE comments
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# including another file
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# variable substitution could be used to create new command (hard)
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# single/double quotes could affect args and hide nested commands
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# hybrid styles can have required sub-styles
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# if-then-else and run every could nest other commands as args
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# special case: linalg sometimes needed with ATC external lib
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# could scan atc/Makefile.lammps for it
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# can long makes print incrementally to screen as they progress?
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# add a verbose output option?
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# -----------------------------------------------------------------------
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# -----------------------------------------------------------------------
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import sys,glob,re,os,commands
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# -----------------------------------------------------------------------
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# variables
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# support files in lammps/src neeeded for a build
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support = ["Makefile","Make.sh","Makefile.package.empty",
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"Makefile.package.settings.empty"]
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# packages that have external libs with their external lib dir
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extlibs = {"USER-ATC": "atc", "USER-AWPMD": "awpmd", "USER-COLVARS": "colvars",
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"USER-CUDA": "cuda","GPU": "gpu","MEAM": "meam", "POEMS": "poems",
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"USER-QMMM": "qmmm", "REAX": "reax"}
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# help messages
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syntax_message = """
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Make.py switch args ...
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Switches: -i file1 file2 ...
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-p package1 package2 ...
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-u package1 package2 ...
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-e package1 arg1 arg2 package2 ...
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-o dir
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-b machine
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-s suffix1 suffix2 ...
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-l dir
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-j N
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-h switch1 switch2 ...
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Help: Make.py or Make.py -h
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"""
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ihelp = """
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-i file1 file2 ...
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scan input scripts, make list of needed files and packages
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"""
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phelp = """
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-p package1 package2 ...
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specify zero or more packages
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can use "all" or "standard" or "user"
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install packages required by -i input scripts
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also install listed packages
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"""
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uhelp = """
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-u package1 package2 ...
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specify zero or more packages
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can specify "all" or "standard" or "user", or package w/out user prefix
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uninstall packages not required by -i input scripts
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also uninstall listed packages
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"""
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ehelp = """
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-e package1 arg1 arg2 package2 ...
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build external libs for zero or more packages
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can specify package w/out user prefix
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each package can have 1 or 2 optional args
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arg1 = suffix for lib Makefile
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arg2 = suffix for lib Makefile.lammps
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example packages with external libs: "gpu", "meam", "user-cuda"
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build external libs for packages required by -i input scripts
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also build external libs for installed packages if none listed
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also build external libs for listed packages
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if arg1 specified, use Makefile.arg1 to build lib, else use Makefile
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if arg2 specified, copy Makefile.lammps.arg2 to Makefile.lammps,
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else copy Makefile.lammps.arg1 to Makefile.lammps, else do nothing
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"""
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ohelp = """
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-o newdir
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create newdir with exactly the needed src files for -i input scripts
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newdir will be at same level as src so LAMMPS build will work
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requires use of -i, cannot use with -p or -u
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newdir will include STUBS and MAKE, but no package dirs
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"""
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bhelp = """
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-b machine
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build LAMMPS in src or newdir using Makefile.machine
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assumes external package libs are already built
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if no -o, build in src
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if -o, build in newdir, including STUBS build if needed
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"""
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shelp = """
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-s suffix1 suffix2 ...
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specify optimization suffixes to add to style names in -i input scripts
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requires use of -i
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same suffixes as LAMMPS -s command-line switch allows
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example suffixes = "opt", "gpu", "cuda", "omp"
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"""
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lhelp = """
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-l dir
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specify LAMMPS home dir
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required if not running Make.py from within lammps/src
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"""
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jhelp = """
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-j N
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perform LAMMPS and external lib builds in parallel
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adds "-j N" switch to "make" commands
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N = 0 performs serial make
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default N = 16
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"""
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hhelp = """
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Make.py lists all switches
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Make.py -h -i -b ... gives help on each switch
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Make.py -h gives this message
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"""
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# -----------------------------------------------------------------------
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# functions
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# print syntax message
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def syntax():
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print syntax_message
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sys.exit()
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# help messages
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def helptxt(switches):
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if not switches: switches = ["-h"]
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for sw in switches:
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if sw == "-i": print ihelp
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elif sw == "-p": print phelp
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elif sw == "-u": print uhelp
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elif sw == "-e": print ehelp
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elif sw == "-o": print ohelp
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elif sw == "-b": print bhelp
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elif sw == "-s": print shelp
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elif sw == "-l": print lhelp
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elif sw == "-j": print jhelp
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elif sw == "-h": print hhelp
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else: error("Invalid help switch")
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# print error message
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def error(str):
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print "ERROR:",str
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sys.exit()
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# convert *.cpp file to *.h file
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def c2h(file):
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return file[:-4] + ".h"
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# convert *.h file to *.cpp file
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def h2c(file):
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return file[:-2] + ".cpp"
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# append file to list
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# but only if file is not already in list
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# but only if file is in cfiles or hfiles
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def addfile(file,list):
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if file in list: return
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if file not in cfiles and file not in hfiles: return
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list.append(file)
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# grab list of LAMMPS package dirs from src/Makefile
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def lammps_packages():
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txt = open(srcdir + "/Makefile",'r').read()
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pattern = "PACKAGE = (.*?)\n\n"
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match = re.search(pattern,txt,re.DOTALL)
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packstd = match.group(1).replace("\\","").upper().split()
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pattern = "PACKUSER = (.*?)\n\n"
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match = re.search(pattern,txt,re.DOTALL)
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packuser = match.group(1).replace("\\","").upper().split()
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return packstd,packuser
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# uninstall package in LAMMPS src dir
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# package can be upper-case or lower-case
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def uninstall_package(package):
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package = package.lower()
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cmd = "cd %s; make no-%s" % (srcdir,package)
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commands.getoutput(cmd)
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print " uninstalled",package
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# install package in LAMMPS src dir
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# package can be upper-case or lower-case
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def install_package(package):
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package = package.lower()
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cmd = "cd %s; make yes-%s" % (srcdir,package)
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commands.getoutput(cmd)
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print " installed",package
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# re-parse list of packages input via -e switch
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# one or two flags may be appended to a package
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# convert into dict with value = list of flags
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def reparse_packages(packages):
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dict = {}
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last = ""
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for package in packages:
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upper = package.upper()
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flag = 0
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if upper in packstd: flag = 1
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elif upper in packuser: flag = 1
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elif "USER-" + upper in packuser: flag = 1
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if flag:
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dict[package] = []
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last = package
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else:
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if not last: error("Invalid package in -e list")
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buildflags = dict[last]
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if len(buildflags) == 2:
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error("Too many machine flags appended to package %s" % last)
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buildflags.append(package)
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return dict
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# detect which packages are installed via "make package-status" command
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# return as list
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def detect_installed_packages():
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cmd = "cd %s; make package-status" % srcdir
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output = commands.getoutput(cmd)
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pattern = "Installed\s*(.*): package (.*)"
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status = re.findall(pattern,output)
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installed = []
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for entry in status:
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if entry[0] == "YES": installed.append(entry[1])
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return installed
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# create dict of all LAMMPS *.cpp and *.h files with no duplicates
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# key = file
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# value = package dir if file in a package dir
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# value = empty if file is only in lammps/src
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# discard style_*.h files
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def lammps_files():
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files = []
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for dir in packstd:
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files += glob.glob(dir + "/*.cpp")
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files += glob.glob(dir + "/*.h")
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for dir in packuser:
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files += glob.glob(dir + "/*.cpp")
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files += glob.glob(dir + "/*.h")
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files += glob.glob("*.cpp")
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files += glob.glob("*.h")
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cfiles = {}
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hfiles = {}
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for file in files:
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dir = os.path.dirname(file)
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file = os.path.basename(file)
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if file.find("style_") == 0: continue
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if file[-2:] == ".h":
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if file not in hfiles: hfiles[file] = dir
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else:
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if file not in cfiles: cfiles[file] = dir
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return cfiles,hfiles
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# parse each cfile,hfile to find list of LAMMPS *.h files it includes
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# create cdep,hdep = dict with key = filename, value = list of *.h files
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# KLUDGE for accelerator_cuda.h to ignore the *.h files it includes
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# when "cuda" is not explicitly listed as a suffix,
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# this is b/c it has an ifdef that includes several *cuda*.h files
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def dependencies():
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pattern = re.compile('^#include "(.+?)"',re.MULTILINE)
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cdep = {}
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for file in cfiles:
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if cfiles[file]: file = cfiles[file] + "/" + file
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txt = open(file,'r').read()
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possible = re.findall(pattern,txt)
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depends = []
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for dfile in possible:
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if dfile in hfiles: depends.append(dfile)
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cdep[os.path.basename(file)] = depends
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hdep = {}
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for file in hfiles:
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if hfiles[file]: file = hfiles[file] + "/" + file
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txt = open(file,'r').read()
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possible = re.findall(pattern,txt)
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depends = []
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for dfile in possible:
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if dfile in hfiles: depends.append(dfile)
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if file == "accelerator_cuda.h" and "cuda" not in suffixes: depends = []
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hdep[os.path.basename(file)] = depends
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return cdep,hdep
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# add style files referenced in input script to lookup list
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# parse input script lines to look for them
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# add suffix for certain styles
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def need_from_input_script(file,lookup):
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lines = open(file,'r').readlines()
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# skip comment and blank lines
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# NOTE: need to treat concatenated lines
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# NOTE: need to handle quoted args when split into words
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# NOTE: need to treat if and run every and print, which nest commands
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cmds = {}
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for line in lines:
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if line.find("#") >= 0: line = line[:line.find("#")]
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line = line.strip()
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if len(line) == 0: continue
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words = line.split()
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cmds[words[0]] = words[1:]
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# for commands with styles, generate file associated with style name
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# suffixes induce multiple file variants
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# final else handles command styles if "CommandStyle" found in *.h file
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for cmd in cmds:
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args = cmds[cmd]
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files = []
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if cmd == "atom_style":
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files.append("atom_vec_" + args[0])
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for suffix in suffixes: files.append("atom_vec_" + args[0] + "/" + suffix)
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elif cmd == "pair_style":
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files.append("pair_" + args[0])
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for suffix in suffixes: files.append("pair_" + args[0] + "/" + suffix)
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elif cmd == "bond_style":
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files.append("bond_" + args[0])
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for suffix in suffixes: files.append("bond_" + args[0] + "/" + suffix)
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elif cmd == "angle_style":
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files.append("angle_" + args[0])
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for suffix in suffixes: files.append("angle_" + args[0] + "/" + suffix)
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elif cmd == "dihedral_style":
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files.append("dihedral_" + args[0])
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for suffix in suffixes: files.append("dihedral_" + args[0] + "/" + suffix)
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elif cmd == "improper_style":
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||||
files.append("improper_" + args[0])
|
||||
for suffix in suffixes: files.append("improper_" + args[0] + "/" + suffix)
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elif cmd == "kspace_style":
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files.append(args[0])
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||||
for suffix in suffixes: files.append(args[0] + "/" + suffix)
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elif cmd == "run_style":
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files.append(args[0])
|
||||
for suffix in suffixes: files.append(args[0] + "/" + suffix)
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elif cmd == "min_style":
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files.append("min_" + args[0])
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elif cmd == "compute":
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files.append("compute_" + args[2])
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||||
for suffix in suffixes: files.append("compute_" + args[2] + "/" + suffix)
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elif cmd == "dump":
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||||
files.append("dump_" + args[2])
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||||
elif cmd == "fix":
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||||
files.append("fix_" + args[2])
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||||
for suffix in suffixes: files.append("fix_" + args[2] + "/" + suffix)
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||||
elif cmd == "region":
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||||
files.append("region_" + args[1])
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||||
else:
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||||
tmpfile = cmd + ".cpp"
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||||
if tmpfile not in cfiles: continue
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if cfiles[tmpfile]: tmpfile = cfiles[tmpfile] + "/" + tmpfile
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||||
txt = open(c2h(tmpfile)).read()
|
||||
if not "CommandStyle" in txt: continue
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||||
files.append(cmd)
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||||
|
||||
for file in files:
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file = file.replace("/","_") + ".cpp"
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||||
addfile(file,lookup)
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||||
|
||||
# add additional CPP files required to build LAMMPS to lookup list
|
||||
# always add main.cpp
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||||
# always add atom_vec_atomic,
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||||
# since Atom class creates it directly
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||||
# always add compute_temp, compute_pe, compute_pressure,
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||||
# since Output class creates these computes directly
|
||||
# always add verlet and min_cg,
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||||
# since Update class creates them directly
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||||
# always add src/neigh_*.cpp since are part of Neighbor class,
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||||
# but only neighbor.cpp is inferred by neighbor.h
|
||||
# KLUDGE:
|
||||
# likewise add USER-OMP/neigh_*.cpp if any USER-OMP files are in lookup
|
||||
# likewise add USER-CUDA/neigh_*.cpp if any USER-CUDA files are in lookup
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||||
|
||||
def need_additional(lookup):
|
||||
addfile("main.cpp",lookup)
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||||
addfile("atom_vec_atomic.cpp",lookup)
|
||||
addfile("compute_temp.cpp",lookup)
|
||||
addfile("compute_pe.cpp",lookup)
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||||
addfile("compute_pressure.cpp",lookup)
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||||
addfile("verlet.cpp",lookup)
|
||||
addfile("min_cg.cpp",lookup)
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||||
|
||||
user_cuda = user_omp = 0
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||||
for file in lookup:
|
||||
if file[-2:] == ".h":
|
||||
if hfiles[file] == "USER-CUDA": user_cuda = 1
|
||||
if hfiles[file] == "USER-OMP": user_omp = 1
|
||||
else:
|
||||
if cfiles[file] == "USER-CUDA": user_cuda = 1
|
||||
if cfiles[file] == "USER-OMP": user_omp = 1
|
||||
|
||||
for file in cfiles:
|
||||
if file.find("neigh_") == 0:
|
||||
if cfiles[file] == "": addfile(file,lookup)
|
||||
if cfiles[file] == "USER-CUDA" and user_cuda: addfile(file,lookup)
|
||||
if cfiles[file] == "USER-OMP" and user_omp: addfile(file,lookup)
|
||||
|
||||
# creq,hreq = list of all CPP and H files needed to build LAMMPS
|
||||
# inferred from lookup list and each file's dependencies in cdep,hdep
|
||||
# when an H file is added, also add corresponding CPP file to lookup
|
||||
# addfile insures no duplicates in creq,hreq
|
||||
|
||||
def resolve_dependencies(lookup):
|
||||
creq = []
|
||||
hreq = []
|
||||
|
||||
i = 0
|
||||
while i < len(lookup):
|
||||
file = lookup[i]
|
||||
if file[-2:] == ".h":
|
||||
hreq.append(file)
|
||||
dfiles = hdep[file]
|
||||
addfile(h2c(file),lookup)
|
||||
else:
|
||||
creq.append(file)
|
||||
dfiles = cdep[file]
|
||||
for dfile in dfiles: addfile(dfile,lookup)
|
||||
i += 1
|
||||
|
||||
return creq,hreq
|
||||
|
||||
# -----------------------------------------------------------------------
|
||||
# main program
|
||||
|
||||
# defaults
|
||||
|
||||
infiles = []
|
||||
packflag = 0
|
||||
packages = []
|
||||
unpackflag = 0
|
||||
unpackages = []
|
||||
extflag = 0
|
||||
extpackages = []
|
||||
newdir = ""
|
||||
build = ""
|
||||
suffixes = []
|
||||
lammpsdir = ""
|
||||
jmake = 16
|
||||
helpflag = 0
|
||||
help = []
|
||||
|
||||
# parse command-line args
|
||||
|
||||
args = sys.argv
|
||||
narg = len(args)
|
||||
|
||||
if narg == 1: syntax()
|
||||
|
||||
iarg = 1
|
||||
while iarg < narg:
|
||||
if args[iarg] == "-i":
|
||||
if iarg+2 > narg: syntax()
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] != '-':
|
||||
infiles.append(args[iarg])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-p":
|
||||
packflag = 1
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] != '-':
|
||||
packages.append(args[iarg])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-u":
|
||||
unpackflag = 1
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] != '-':
|
||||
unpackages.append(args[iarg])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-e":
|
||||
extflag = 1
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] != '-':
|
||||
extpackages.append(args[iarg])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-o":
|
||||
if iarg+2 > narg: syntax()
|
||||
newdir = args[iarg+1]
|
||||
iarg += 2
|
||||
elif args[iarg] == "-b":
|
||||
if iarg+2 > narg: syntax()
|
||||
build = args[iarg+1]
|
||||
iarg += 2
|
||||
elif args[iarg] == "-s":
|
||||
if iarg+2 > narg: syntax()
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] != '-':
|
||||
suffixes.append(args[iarg])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-l":
|
||||
if iarg+2 > narg: syntax()
|
||||
lammpsdir = args[iarg+1]
|
||||
iarg += 2
|
||||
elif args[iarg] == "-j":
|
||||
if iarg+2 > narg: syntax()
|
||||
jmake = int(args[iarg+1])
|
||||
iarg += 1
|
||||
elif args[iarg] == "-h":
|
||||
helpflag = 1
|
||||
iarg += 1
|
||||
while iarg < narg and args[iarg][0] == '-':
|
||||
help.append(args[iarg])
|
||||
iarg += 1
|
||||
else: syntax()
|
||||
|
||||
# help
|
||||
|
||||
if helpflag: helptxt(help)
|
||||
|
||||
# error check
|
||||
|
||||
if newdir:
|
||||
if not infiles: error("Cannot use -o without -i")
|
||||
if packflag: error("Cannot use -o with -p")
|
||||
if unpackages: error("Cannot use -o with -u")
|
||||
|
||||
if suffixes:
|
||||
if not infiles: error("Cannot use -s without -i")
|
||||
|
||||
# setup strings
|
||||
# srcdir = LAMMPS src dir
|
||||
# check that srcdir is valid via 2 "empty" files and version.h
|
||||
# libdir = LAMMPS lib dir
|
||||
# newdir = new src dir
|
||||
# makestr = -j N for parallel make
|
||||
|
||||
if lammpsdir: srcdir = lammpsdir + "/src"
|
||||
else: srcdir = "."
|
||||
|
||||
if not os.path.isfile(srcdir + "/Makefile.package.empty") \
|
||||
or not os.path.isfile(srcdir + "/Makefile.package.settings.empty") \
|
||||
or not os.path.isfile(srcdir + "/version.h"):
|
||||
error("Not running in LAMMPS src dir, use -l switch")
|
||||
|
||||
if srcdir == ".": libdir = "../lib"
|
||||
else: libdir = srcdir[:-3] + "lib"
|
||||
|
||||
if newdir:
|
||||
if srcdir == ".": newdir = "../" + newdir
|
||||
else: newdir = srcdir[:-3] + newdir
|
||||
|
||||
if jmake == 0: makestr = ""
|
||||
else: makestr = "-j %d" % jmake
|
||||
|
||||
# packstd,packuser = list of package dirs in lammps/src
|
||||
|
||||
packstd,packuser = lammps_packages()
|
||||
|
||||
# -i switch
|
||||
# cfiles,hfiles = all LAMMPS src files
|
||||
# cdep,hdep = src files with list of *.h files each depends on
|
||||
# lookup = needed *.cpp files = default + input script styles
|
||||
# creq,hreq = files needed to build LAMMPS = lookup + dependencies
|
||||
# packneed = needed packages
|
||||
|
||||
if infiles:
|
||||
print "Scanning input scripts ..."
|
||||
cfiles,hfiles = lammps_files()
|
||||
cdep,hdep = dependencies()
|
||||
lookup = []
|
||||
for file in infiles: need_from_input_script(file,lookup)
|
||||
need_additional(lookup)
|
||||
creq,hreq = resolve_dependencies(lookup)
|
||||
|
||||
packneed = []
|
||||
for file in creq:
|
||||
if cfiles[file] and cfiles[file] not in packneed:
|
||||
packneed.append(cfiles[file])
|
||||
for file in hreq:
|
||||
if hfiles[file] and hfiles[file] not in packneed:
|
||||
packneed.append(hfiles[file])
|
||||
|
||||
print " scripts require %d LAMMPS *.cpp files" % len(creq)
|
||||
print " scripts require %d LAMMPS *.h files" % len(hreq)
|
||||
print " scripts require %d packages:" % len(packneed),
|
||||
print packneed
|
||||
|
||||
# -u switch
|
||||
# if -i, add unneeded packages to list
|
||||
# add explicitly named packages to list
|
||||
# uninstall packages in list only if installed
|
||||
|
||||
if unpackflag:
|
||||
print "Uninstalling packages ..."
|
||||
|
||||
list = []
|
||||
if infiles:
|
||||
for package in packstd:
|
||||
if package not in packneed: list.append(package)
|
||||
for package in packuser:
|
||||
if package not in packneed: list.append(package)
|
||||
for entry in unpackages:
|
||||
entry = entry.upper()
|
||||
if entry == "ALL":
|
||||
for package in packstd:
|
||||
if package not in list: list.append(package)
|
||||
for package in packuser:
|
||||
if package not in list: list.append(package)
|
||||
elif entry == "STANDARD":
|
||||
for package in packstd:
|
||||
if package not in list: list.append(package)
|
||||
elif entry == "USER":
|
||||
for package in packuser:
|
||||
if package not in list: list.append(package)
|
||||
elif entry in packstd:
|
||||
if entry not in list: list.append(entry)
|
||||
elif entry in packuser:
|
||||
if entry not in list: list.append(entry)
|
||||
elif "USER-" + entry in packuser:
|
||||
if "USER-" + entry not in list: list.append("USER-" + entry)
|
||||
else: error("Invalid package %s to uninstall" % entry.lower())
|
||||
|
||||
installed_packages = detect_installed_packages()
|
||||
for package in list:
|
||||
if package in installed_packages: uninstall_package(package)
|
||||
|
||||
# -p switch
|
||||
# if -i, add needed packages to list
|
||||
# add explicitly named packages to list
|
||||
# install packages in list only if uninstalled
|
||||
|
||||
if packflag:
|
||||
print "Installing packages ..."
|
||||
|
||||
list = []
|
||||
if infiles:
|
||||
for package in packneed: list.append(package)
|
||||
for entry in packages:
|
||||
entry = entry.upper()
|
||||
if entry == "ALL":
|
||||
for package in packstd:
|
||||
if package not in list: list.append(package)
|
||||
for package in packuser:
|
||||
if package not in list: list.append(package)
|
||||
elif entry == "STANDARD":
|
||||
for package in packstd:
|
||||
if package not in list: list.append(package)
|
||||
elif entry == "USER":
|
||||
for package in packuser:
|
||||
if package not in list: list.append(package)
|
||||
elif entry in packstd:
|
||||
if entry not in list: list.append(entry)
|
||||
elif entry in packuser:
|
||||
if entry not in list: list.append(entry)
|
||||
elif "USER-" + entry in packuser:
|
||||
if "USER-" + entry not in list: list.append("USER-" + entry)
|
||||
else: error("Invalid package %s to install" % entry.lower())
|
||||
|
||||
installed_packages = detect_installed_packages()
|
||||
for package in list:
|
||||
if package not in installed_packages: install_package(package)
|
||||
|
||||
# -e switch
|
||||
# add explicitly named libs to list first, so can include arg1/arg2
|
||||
# if -i, add needed libs to list
|
||||
# if none named, add libs for installed packages to list
|
||||
# use Makefile.arg1 and Makefile.lammps.arg1/arg2 if specified
|
||||
# force rebuild by doing clean first
|
||||
|
||||
if extflag:
|
||||
print "Building external libraries ..."
|
||||
|
||||
list = {}
|
||||
packages_with_flags = reparse_packages(extpackages)
|
||||
for package in packages_with_flags:
|
||||
upper = package.upper()
|
||||
if upper in extlibs and upper not in list:
|
||||
list[upper] = packages_with_flags[package]
|
||||
upper = "USER-" + upper
|
||||
if upper in extlibs and upper not in list:
|
||||
list[upper] = packages_with_flags[package]
|
||||
|
||||
if infiles:
|
||||
for package in packneed:
|
||||
if package in extlibs and package not in list: list[package] = []
|
||||
if not extpackages:
|
||||
installed_packages = detect_installed_packages()
|
||||
for package in installed_packages:
|
||||
if package in extlibs and package not in list: list[package] = []
|
||||
|
||||
for package in list:
|
||||
lib = extlibs[package]
|
||||
print " lib/%s/lib%s.a for package %s ..." % (lib,lib,package)
|
||||
args = list[package]
|
||||
|
||||
# makefile = Makefile by default unless arg1 specified
|
||||
|
||||
makefile = "Makefile"
|
||||
if args: makefile = "Makefile.%s" % args[0]
|
||||
if not os.path.isfile("%s/%s/%s" % (libdir,lib,makefile)):
|
||||
error("%s for external lib %s does not exist" % (makefile,lib))
|
||||
|
||||
# no makefile_lammps by default unless arg2 or arg1 specified
|
||||
|
||||
makefile_lammps = ""
|
||||
if args and len(args) == 2:
|
||||
makefile_lammps = "Makefile.lammps.%s" % args[1]
|
||||
if not os.path.isfile("%s/%s/%s" % (libdir,lib,makefile_lammps)):
|
||||
error("%s for external lib %s does not exist" % (makefile,lib))
|
||||
elif args:
|
||||
makefile_lammps = "Makefile.lammps.%s" % args[0]
|
||||
|
||||
# target lib file
|
||||
# KLUDGE for cuda, since it is liblammpscuda.a instead of libcuda.a
|
||||
|
||||
libfile = "%s/%s/lib%s.a" % (libdir,lib,lib)
|
||||
if lib == "cuda": libfile = "%s/%s/liblammpscuda.a" % (libdir,lib)
|
||||
|
||||
# remove lib file
|
||||
|
||||
if os.path.exists(libfile): os.remove(libfile)
|
||||
|
||||
# make clean
|
||||
|
||||
print " cleaning ..."
|
||||
cmd = "cd %s/%s; make -f %s clean" % (libdir,lib,makefile)
|
||||
output = commands.getoutput(cmd)
|
||||
|
||||
# build the external lib and check if successful
|
||||
|
||||
print " building ..."
|
||||
cmd = "cd %s/%s; make %s -f %s" % (libdir,lib,makestr,makefile)
|
||||
output = commands.getoutput(cmd)
|
||||
if os.path.exists(libfile):
|
||||
print " successfully built lib/%s/lib%s.a" % (lib,lib)
|
||||
else:
|
||||
print output
|
||||
error("Build of lib/%s/lib%s.a was unsuccessful" % (lib,lib))
|
||||
|
||||
# if it exists, copy makefile_lammps to Makefile.lammps
|
||||
|
||||
if makefile_lammps:
|
||||
if os.path.isfile("%s/%s/%s" % (libdir,lib,makefile_lammps)):
|
||||
cmd = "cd %s/%s; cp %s Makefile.lammps" % (libdir,lib,makefile_lammps)
|
||||
commands.getoutput(cmd)
|
||||
|
||||
# -n switch
|
||||
# create newdir with exactly the needed src files for scripts
|
||||
# newdir has support files and STUBS and MAKE, but no package dirs
|
||||
# insure Makefile.package and Makefile.package.settings are correct by
|
||||
# installing all needed packages in newdir, then delete package dirs
|
||||
|
||||
if newdir:
|
||||
print "Creating %s ..." % newdir
|
||||
if os.path.exists(newdir): error("Directory %s already exists" % newdir)
|
||||
os.mkdir(newdir)
|
||||
os.mkdir(newdir + "/MAKE")
|
||||
os.mkdir(newdir + "/STUBS")
|
||||
|
||||
for file in support:
|
||||
commands.getoutput("cp %s/%s %s" % (srcdir,file,newdir))
|
||||
|
||||
files = glob.glob("%s/MAKE/Makefile.*" % srcdir)
|
||||
fstr = " ".join(files)
|
||||
commands.getoutput("cp %s %s/MAKE" % (fstr,newdir))
|
||||
|
||||
commands.getoutput("cp %s/STUBS/Makefile %s/STUBS" % (srcdir,newdir))
|
||||
commands.getoutput("cp %s/STUBS/mpi.c %s/STUBS" % (srcdir,newdir))
|
||||
commands.getoutput("cp %s/STUBS/mpi.h %s/STUBS" % (srcdir,newdir))
|
||||
|
||||
for package in packneed:
|
||||
os.mkdir("%s/%s" % (newdir,package))
|
||||
commands.getoutput("cp %s/%s/* %s/%s" % (srcdir,package,newdir,package))
|
||||
commands.getoutput("cd %s; make yes-%s" % (newdir,package.lower()))
|
||||
commands.getoutput("rm -r %s/%s" % (newdir,package))
|
||||
|
||||
commands.getoutput("rm -r %s/*.cpp" % (newdir))
|
||||
commands.getoutput("rm -r %s/*.h" % (newdir))
|
||||
|
||||
for file in creq:
|
||||
if cfiles[file]: file = cfiles[file] + "/" + file
|
||||
commands.getoutput("cp %s/%s %s" % (srcdir,file,newdir))
|
||||
for file in hreq:
|
||||
if hfiles[file]: file = hfiles[file] + "/" + file
|
||||
commands.getoutput("cp %s/%s %s" % (srcdir,file,newdir))
|
||||
|
||||
# -b switch
|
||||
# build LAMMPS in src or newdir
|
||||
# assumes external package libs are already built
|
||||
# build STUBS lib if needed and not already built
|
||||
|
||||
if build:
|
||||
print "Building LAMMPS for %s ..." % build
|
||||
if newdir: builddir = newdir
|
||||
else: builddir = srcdir
|
||||
|
||||
makefile = "%s/MAKE/Makefile.%s" % (builddir,build)
|
||||
if not os.path.exists(makefile):
|
||||
error("%s does not exist" % makefile)
|
||||
|
||||
txt = open(makefile,"r").read()
|
||||
if "../STUBS" in txt:
|
||||
if not os.path.exists("%s/STUBS/libmpi.a" % builddir):
|
||||
cmd = "cd %s/STUBS; make" % builddir
|
||||
output = commands.getoutput(cmd)
|
||||
if os.path.exists("%s/STUBS/libmpi.a" % builddir):
|
||||
print "Successfully built STUBS/libmpi.a"
|
||||
else:
|
||||
print output
|
||||
error("Build of STUBS/libmpi.a was unsuccessful")
|
||||
|
||||
if os.path.exists("%s/lmp_%s" % (builddir,build)):
|
||||
os.remove("%s/lmp_%s" % (builddir,build))
|
||||
cmd = "cd %s; make %s %s" % (builddir,makestr,build)
|
||||
output = commands.getoutput(cmd)
|
||||
if os.path.exists("%s/lmp_%s" % (builddir,build)):
|
||||
print "Successfully built %s/lmp_%s" % (builddir,build)
|
||||
else:
|
||||
print output
|
||||
error("Build of %s/lmp_%s was unsuccessful" % (builddir,build))
|
||||
Loading…
Reference in New Issue