forked from lijiext/lammps
Merge pull request #11 from akohlmey/python3-for-make-py
Python 3 support for Make.py with Python 2.7 compatibility
This commit is contained in:
sjplimp
GitHub
commit
ef69bf8695
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@ -1,6 +1,7 @@
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/Makefile.package
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/Makefile.package.settings
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/MAKE/MINE
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/Make.py.last
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/lmp_*
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/style_*.h
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365
src/Make.py
365
src/Make.py
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@ -3,9 +3,10 @@
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# Make.py tool for managing packages and their auxiliary libs,
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# auto-editing machine Makefiles, and building LAMMPS
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# Syntax: Make.py -h (for help)
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# Notes: needs python 2.7 (not Python 3)
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# Notes: should be compatible with python 2.7 and 3.x thanks to 'futurize'
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import sys,os,commands,re,copy,subprocess,platform
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from __future__ import print_function
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import sys,os,re,copy,subprocess,platform
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# switch abbrevs
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# switch classes = created class for each switch
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@ -34,15 +35,15 @@ gpubuildflag = 0
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# functions
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# ----------------------------------------------------------------
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# if flag = 1, print str and exit
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# if flag = 0, print str as warning and do not exit
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# if flag = 1, print txt and exit
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# if flag = 0, print txt as warning and do not exit
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def error(str,flag=1):
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def error(txt,flag=1):
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if flag:
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print "ERROR:",str
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print("ERROR:",txt)
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sys.exit()
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else:
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print "WARNING:",str
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print("WARNING:",txt)
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# store command-line args as sw = dict of key/value
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# key = switch word, value = list of following args
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@ -83,15 +84,15 @@ def switch2str(switches,switch_order):
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def compile_check(compiler,ccflags,warn):
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open("tmpauto.cpp",'w').write("int main(int, char **) {}\n")
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str = "%s %s -c tmpauto.cpp" % (compiler,ccflags)
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txt = commands.getoutput(str)
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tmp = "%s %s -c tmpauto.cpp" % (compiler,ccflags)
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txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
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flag = 1
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if txt or not os.path.isfile("tmpauto.o"):
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flag = 0
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if warn:
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print str
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if txt: print txt
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else: print "compile produced no output"
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print(tmp)
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if txt: print(txt)
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else: print("compile produced no output")
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os.remove("tmpauto.cpp")
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if os.path.isfile("tmpauto.o"): os.remove("tmpauto.o")
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return flag
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@ -102,15 +103,15 @@ def compile_check(compiler,ccflags,warn):
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def link_check(linker,linkflags,libs,warn):
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open("tmpauto.cpp",'w').write("int main(int, char **) {}\n")
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str = "%s %s -o tmpauto tmpauto.cpp %s" % (linker,linkflags,libs)
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txt = commands.getoutput(str)
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tmp = "%s %s -o tmpauto tmpauto.cpp %s" % (linker,linkflags,libs)
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txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
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flag = 1
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if txt or not os.path.isfile("tmpauto"):
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flag = 0
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if warn:
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print str
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if txt: print txt
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else: print "link produced no output"
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print(tmp)
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if txt: print(txt)
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else: print("link produced no output")
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os.remove("tmpauto.cpp")
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if os.path.isfile("tmpauto"): os.remove("tmpauto")
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return flag
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@ -121,7 +122,7 @@ def link_check(linker,linkflags,libs,warn):
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# actions
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class Actions:
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class Actions(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -229,18 +230,18 @@ class Actions:
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def lib(self,suffix):
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if suffix != "all":
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print "building",suffix,"library ..."
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str = "%s.build()" % suffix
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exec(str)
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print("building",suffix,"library ...")
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txt = "%s.build()" % suffix
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exec(txt)
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else:
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final = packages.final
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for one in packages.lib:
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if final[one]:
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if "user" in one: pkg = one[5:]
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else: pkg = one
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print "building",pkg,"library ..."
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str = "%s.build()" % pkg
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exec(str)
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print("building",pkg,"library ...")
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txt = "%s.build()" % pkg
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exec(txt)
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# read Makefile.machine
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# if caller = "file", edit via switches
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@ -526,8 +527,10 @@ class Actions:
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# unless caller = "exe" and "file" action already invoked
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if caller == "file" or "file" not in self.alist:
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# make certain that 'MAKE/MINE' folder exists.
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subprocess.check_output("mkdir -p %s/MAKE/MINE" % dir.src,stderr=subprocess.STDOUT,shell=True)
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make.write("%s/MAKE/MINE/Makefile.auto" % dir.src,1)
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print "Created src/MAKE/MINE/Makefile.auto"
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print("Created src/MAKE/MINE/Makefile.auto")
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# test full compile and link
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# unless caller = "file" and "exe" action will be invoked later
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@ -545,9 +548,9 @@ class Actions:
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# invoke "make clean-auto" to force clean before build
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def clean(self):
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str = "cd %s; make clean-auto" % dir.src
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commands.getoutput(str)
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print "Performed make clean-auto"
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txt = "cd %s; make clean-auto" % dir.src
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subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
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print("Performed make clean-auto")
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# build LAMMPS using Makefile.auto and -j setting
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# invoke self.file() first, to test makefile compile/link
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@ -556,15 +559,15 @@ class Actions:
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def exe(self):
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self.file("exe")
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commands.getoutput("cd %s; rm -f lmp_auto" % dir.src)
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subprocess.check_output("cd %s; rm -f lmp_auto" % dir.src,stderr=subprocess.STDOUT,shell=True)
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if self.stubs and not os.path.isfile("%s/STUBS/libmpi_stubs.a" % dir.src):
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print "building serial STUBS library ..."
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str = "cd %s/STUBS; make clean; make" % dir.src
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txt = commands.getoutput(str)
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print("building serial STUBS library ...")
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tmp = "cd %s/STUBS; make clean; make" % dir.src
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txt = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
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if not os.path.isfile("%s/STUBS/libmpi_stubs.a" % dir.src):
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print txt
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print(txt)
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error('Unsuccessful "make stubs"')
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print "Created src/STUBS/libmpi_stubs.a"
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print("Created src/STUBS/libmpi_stubs.a")
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# special hack for shannon GPU cluster
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# must use "srun make" if on it and building w/ GPU package, else just make
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@ -574,24 +577,24 @@ class Actions:
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if "shannon" == platform.node() and packages.final["gpu"]:
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make = "srun make"
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if jmake: str = "cd %s; %s -j %d auto" % (dir.src,make,jmake.n)
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else: str = "cd %s; %s auto" % (dir.src,make)
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if jmake: tmp = "cd %s; %s -j %d auto" % (dir.src,make,jmake.n)
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else: tmp = "cd %s; %s auto" % (dir.src,make)
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# if verbose, print output as build proceeds, else only print if fails
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if verbose: subprocess.call(str,shell=True)
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if verbose: subprocess.call(tmp,shell=True)
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else:
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print str
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try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
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except Exception as e: print e.output
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print(tmp)
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try: subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True)
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except Exception as e: print(e.output)
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if not os.path.isfile("%s/lmp_auto" % dir.src):
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error('Unsuccessful "make auto"')
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elif not output: print "Created src/lmp_auto"
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elif not output: print("Created src/lmp_auto")
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# dir switch
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class Dir:
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class Dir(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -625,7 +628,7 @@ class Dir:
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# help switch
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class Help:
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class Help(object):
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def __init__(self,list): pass
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def help(self):
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@ -650,7 +653,7 @@ Syntax: Make.py switch args ...
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# jmake switch
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class Jmake:
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class Jmake(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -671,7 +674,7 @@ class Jmake:
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# makefile switch
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class Makefile:
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class Makefile(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -690,7 +693,7 @@ class Makefile:
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# output switch
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class Output:
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class Output(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -707,7 +710,7 @@ class Output:
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# packages switch
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class Packages:
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class Packages(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -805,14 +808,14 @@ class Packages:
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# key = package name, value = 1 if currently installed, else 0
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original = {}
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str = "cd %s; make ps" % dir.src
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output = commands.getoutput(str).split('\n')
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tmp = "cd %s; make ps" % dir.src
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output = subprocess.check_output(tmp,stderr=subprocess.STDOUT,shell=True).decode()
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pattern = "Installed\s+(\w+): package (\S+)"
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for line in output:
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m = re.search(pattern,line)
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if not m: continue
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pkg = m.group(2).lower()
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if pkg not in all: error('Package list does not math "make ps" results')
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if pkg not in all: error('Package list does not match "make ps" results')
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if m.group(1) == "NO": original[pkg] = 0
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elif m.group(1) == "YES": original[pkg] = 1
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@ -849,33 +852,33 @@ class Packages:
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# install packages in plist
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def install(self):
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if self.plist: print "Installing packages ..."
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if self.plist: print("Installing packages ...")
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for one in self.plist:
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if one == "orig": continue
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commands.getoutput("cd %s; make %s" % (dir.src,one))
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subprocess.check_output("cd %s; make %s" % (dir.src,one),stderr=subprocess.STDOUT,shell=True)
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if self.plist and verbose:
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txt = commands.getoutput("cd %s; make ps" % dir.src)
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print "Package status after installation:"
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print txt
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txt = subprocess.check_output("cd %s; make ps" % dir.src,stderr=subprocess.STDOUT,shell=True).decode()
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print("Package status after installation:")
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print(txt)
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# restore packages to original list if requested
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# order of re-install should not matter matter b/c of Depend.sh
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def uninstall(self):
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if not self.plist or self.plist[-1] != "orig": return
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print "Restoring packages to original state ..."
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commands.getoutput("cd %s; make no-all" % dir.src)
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print("Restoring packages to original state ...")
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subprocess.check_output("cd %s; make no-all" % dir.src,stderr=subprocess.STDOUT,shell=True)
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for one in self.all:
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if self.original[one]:
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commands.getoutput("cd %s; make yes-%s" % (dir.src,one))
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subprocess.check_output("cd %s; make yes-%s" % (dir.src,one),stderr=subprocess.STDOUT,shell=True)
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if verbose:
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txt = commands.getoutput("cd %s; make ps" % dir.src)
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print "Restored package status:"
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print txt
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txt = subprocess.check_output("cd %s; make ps" % dir.src,stderr=subprocess.STDOUT,shell=True).decode()
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print("Restored package status:")
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print(txt)
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# redo switch
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class Redo:
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class Redo(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -940,8 +943,8 @@ class Redo:
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if words[0][-1] == ':': label = words[0][:-1]
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else: label = None
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if not self.labels:
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if label: commands.append(' '.join(words[1:]))
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else: commands.append(line)
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if label: subprocess.append(' '.join(words[1:]))
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else: subprocess.append(line)
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else:
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if not label: continue
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dict[label] = ' '.join(words[1:])
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@ -950,13 +953,13 @@ class Redo:
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for label in self.labels:
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if label not in dict: error("Redo label not in redo file")
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commands.append(dict[label])
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subprocess.append(dict[label])
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self.commands = commands
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# settings switch
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class Settings:
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class Settings(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -979,7 +982,7 @@ class Settings:
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# verbose switch
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class Verbose:
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class Verbose(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -995,7 +998,7 @@ class Verbose:
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# zoutput switch for making copy of final Makefile.auto
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class Zoutput:
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class Zoutput(object):
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def __init__(self,list):
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self.inlist = copy.copy(list)
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@ -1018,7 +1021,7 @@ class Zoutput:
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# ATC lib
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class ATC:
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class ATC(object):
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def __init__(self,list):
|
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self.inlist = copy.copy(list)
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self.make = "g++"
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@ -1051,25 +1054,25 @@ class ATC:
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make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
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make.write("%s/Makefile.auto" % libdir)
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commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
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if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
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else: str = "cd %s; make -f Makefile.auto" % libdir
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subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
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if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
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else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
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# if verbose, print output as build proceeds, else only print if fails
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||||
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if verbose: subprocess.call(str,shell=True)
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if verbose: subprocess.call(txt,shell=True)
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||||
else:
|
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try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
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except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libatc.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/atc library")
|
||||
else: print "Created lib/atc library"
|
||||
else: print("Created lib/atc library")
|
||||
|
||||
# AWPMD lib
|
||||
|
||||
class AWPMD:
|
||||
class AWPMD(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "mpicc"
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||||
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@ -1102,25 +1105,25 @@ class AWPMD:
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make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
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make.write("%s/Makefile.auto" % libdir)
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||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
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else: str = "cd %s; make -f Makefile.auto" % libdir
|
||||
subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libawpmd.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/awpmd library")
|
||||
else: print "Created lib/awpmd library"
|
||||
else: print("Created lib/awpmd library")
|
||||
|
||||
# COLVARS lib
|
||||
|
||||
class COLVARS:
|
||||
class COLVARS(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "g++"
|
||||
|
|
@ -1153,25 +1156,25 @@ class COLVARS:
|
|||
make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
||||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: str = "cd %s; make -f Makefile.auto" % libdir
|
||||
subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libcolvars.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/colvars library")
|
||||
else: print "Created lib/colvars library"
|
||||
else: print("Created lib/colvars library")
|
||||
|
||||
# CUDA lib
|
||||
|
||||
class CUDA:
|
||||
class CUDA(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.mode = "double"
|
||||
|
|
@ -1205,30 +1208,30 @@ class CUDA:
|
|||
|
||||
def build(self):
|
||||
libdir = dir.lib + "/cuda"
|
||||
commands.getoutput("cd %s; make clean" % libdir)
|
||||
subprocess.check_output("cd %s; make clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
if self.mode == "double": n = 2
|
||||
elif self.mode == "mixed": n = 3
|
||||
elif self.mode == "single": n = 1
|
||||
if jmake: str = "cd %s; make -j %d precision=%d arch=%s" % \
|
||||
if jmake: txt = "cd %s; make -j %d precision=%d arch=%s" % \
|
||||
(libdir,jmake.n,n,self.arch)
|
||||
else: str = str = "cd %s; make precision=%d arch=%s" % \
|
||||
else: txt = "cd %s; make precision=%d arch=%s" % \
|
||||
(libdir,n,self.arch)
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/liblammpscuda.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/cuda library")
|
||||
else: print "Created lib/cuda library"
|
||||
else: print("Created lib/cuda library")
|
||||
|
||||
# GPU lib
|
||||
|
||||
class GPU:
|
||||
class GPU(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "linux.double"
|
||||
|
|
@ -1300,25 +1303,25 @@ class GPU:
|
|||
make = "make"
|
||||
if "shannon" == platform.node(): make = "srun make"
|
||||
|
||||
commands.getoutput("cd %s; %s -f Makefile.auto clean" % (libdir,make))
|
||||
if jmake: str = "cd %s; %s -j %d -f Makefile.auto" % (libdir,make,jmake.n)
|
||||
else: str = "cd %s; %s -f Makefile.auto" % (libdir,make)
|
||||
subprocess.check_output("cd %s; %s -f Makefile.auto clean" % (libdir,make),stderr=subprocess.STDOUT,shell=True)
|
||||
if jmake: txt = "cd %s; %s -j %d -f Makefile.auto" % (libdir,make,jmake.n)
|
||||
else: txt = "cd %s; %s -f Makefile.auto" % (libdir,make)
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libgpu.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/gpu library")
|
||||
else: print "Created lib/gpu library"
|
||||
else: print("Created lib/gpu library")
|
||||
|
||||
# H5MD lib
|
||||
|
||||
class H5MD:
|
||||
class H5MD(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "h5cc"
|
||||
|
|
@ -1351,24 +1354,24 @@ class H5MD:
|
|||
make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
||||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make clean" % libdir)
|
||||
str = "cd %s; make" % libdir
|
||||
subprocess.check_output("cd %s; make clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
txt = "cd %s; make" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libch5md.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/h5md library")
|
||||
else: print "Created lib/h5md library"
|
||||
else: print("Created lib/h5md library")
|
||||
|
||||
# MEAM lib
|
||||
|
||||
class MEAM:
|
||||
class MEAM(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "gfortran"
|
||||
|
|
@ -1401,25 +1404,25 @@ class MEAM:
|
|||
make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
||||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
# do not use -j for MEAM build, parallel build does not work
|
||||
str = "cd %s; make -f Makefile.auto" % libdir
|
||||
txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libmeam.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/meam library")
|
||||
else: print "Created lib/meam library"
|
||||
else: print("Created lib/meam library")
|
||||
|
||||
# POEMS lib
|
||||
|
||||
class POEMS:
|
||||
class POEMS(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "g++"
|
||||
|
|
@ -1452,25 +1455,25 @@ class POEMS:
|
|||
make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
||||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: str = "cd %s; make -f Makefile.auto" % libdir
|
||||
subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libpoems.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/poems library")
|
||||
else: print "Created lib/poems library"
|
||||
else: print("Created lib/poems library")
|
||||
|
||||
# PYTHON lib
|
||||
|
||||
class PYTHON:
|
||||
class PYTHON(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "g++"
|
||||
|
|
@ -1497,15 +1500,15 @@ class PYTHON:
|
|||
def build(self):
|
||||
libdir = dir.lib + "/python"
|
||||
if self.lammpsflag:
|
||||
commands.getoutput("cd %s; cp Makefile.lammps.%s Makefile.lammps" %
|
||||
subprocess.check_output("cd %s; cp Makefile.lammps.%s Makefile.lammps" %
|
||||
(libdir,self.lammps))
|
||||
if not os.path.isfile("%s/Makefile.lammps.%s" % (libdir,self.lammps)):
|
||||
error("Unsuccessful creation of lib/python/Makefile.lammps.%s file" % self.lammps)
|
||||
else: print "Created lib/python/Makefile.lammps file"
|
||||
else: print("Created lib/python/Makefile.lammps file")
|
||||
|
||||
# QMMM lib
|
||||
|
||||
class QMMM:
|
||||
class QMMM(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "gfortran"
|
||||
|
|
@ -1538,25 +1541,25 @@ class QMMM:
|
|||
make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps)
|
||||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: str = "cd %s; make -f Makefile.auto" % libdir
|
||||
subprocess.check_output("cd %s; make -f Makefile.auto clean" % libdir,stderr=subprocess.STDOUT,shell=True)
|
||||
if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libqmmm.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/qmmm library")
|
||||
else: print "Created lib/qmmm library"
|
||||
else: print("Created lib/qmmm library")
|
||||
|
||||
# REAX lib
|
||||
|
||||
class REAX:
|
||||
class REAX(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.make = "gfortran"
|
||||
|
|
@ -1590,24 +1593,24 @@ class REAX:
|
|||
make.write("%s/Makefile.auto" % libdir)
|
||||
|
||||
commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir)
|
||||
if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: str = "cd %s; make -f Makefile.auto" % libdir
|
||||
if jmake: txt = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n)
|
||||
else: txt = "cd %s; make -f Makefile.auto" % libdir
|
||||
|
||||
# if verbose, print output as build proceeds, else only print if fails
|
||||
|
||||
if verbose: subprocess.call(str,shell=True)
|
||||
if verbose: subprocess.call(txt,shell=True)
|
||||
else:
|
||||
try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print e.output
|
||||
try: subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
except Exception as e: print(e.output)
|
||||
|
||||
if not os.path.isfile("%s/libreax.a" % libdir) or \
|
||||
not os.path.isfile("%s/Makefile.lammps" % libdir):
|
||||
error("Unsuccessful build of lib/reax library")
|
||||
else: print "Created lib/reax library"
|
||||
else: print("Created lib/reax library")
|
||||
|
||||
# VORONOI lib
|
||||
|
||||
class VORONOI:
|
||||
class VORONOI(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.install = ""
|
||||
|
|
@ -1635,9 +1638,9 @@ class VORONOI:
|
|||
if not self.install: return
|
||||
libdir = dir.lib + "/voronoi"
|
||||
cmd = "cd %s; python install.py %s" % (libdir,self.install)
|
||||
txt = commands.getoutput(cmd)
|
||||
if verbose: print txt
|
||||
print "Created lib/voronoi library"
|
||||
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True).decode()
|
||||
if verbose: print(txt)
|
||||
print("Created lib/voronoi library")
|
||||
|
||||
# ----------------------------------------------------------------
|
||||
# build classes for intel, kokkos build options
|
||||
|
|
@ -1645,7 +1648,7 @@ class VORONOI:
|
|||
|
||||
# Intel class
|
||||
|
||||
class Intel:
|
||||
class Intel(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.mode = "cpu"
|
||||
|
|
@ -1666,7 +1669,7 @@ class Intel:
|
|||
|
||||
# Kokkos class
|
||||
|
||||
class Kokkos:
|
||||
class Kokkos(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.mode = ""
|
||||
|
|
@ -1688,7 +1691,7 @@ class Kokkos:
|
|||
"""
|
||||
|
||||
def check(self):
|
||||
print self.inlist
|
||||
print(self.inlist)
|
||||
if self.inlist != None and len(self.inlist) == 0:
|
||||
error("-kokkos args are invalid")
|
||||
|
||||
|
|
@ -1710,7 +1713,7 @@ class Kokkos:
|
|||
|
||||
# Cc class
|
||||
|
||||
class Cc:
|
||||
class Cc(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.compiler = self.abbrev = ""
|
||||
|
|
@ -1762,7 +1765,7 @@ class Cc:
|
|||
|
||||
# Flags class
|
||||
|
||||
class Flags:
|
||||
class Flags(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.flags = []
|
||||
|
|
@ -1803,7 +1806,7 @@ class Flags:
|
|||
|
||||
# Mpi class
|
||||
|
||||
class Mpi:
|
||||
class Mpi(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.style = self.dir = ""
|
||||
|
|
@ -1837,7 +1840,7 @@ class Mpi:
|
|||
|
||||
# Fft class
|
||||
|
||||
class Fft:
|
||||
class Fft(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.dir = self.incdir = self.libdir = ""
|
||||
|
|
@ -1877,7 +1880,7 @@ class Fft:
|
|||
|
||||
# Jpg class
|
||||
|
||||
class Jpg:
|
||||
class Jpg(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.on = 1
|
||||
|
|
@ -1916,7 +1919,7 @@ class Jpg:
|
|||
|
||||
# Png class
|
||||
|
||||
class Png:
|
||||
class Png(object):
|
||||
def __init__(self,list):
|
||||
self.inlist = copy.copy(list)
|
||||
self.on = 1
|
||||
|
|
@ -1958,7 +1961,7 @@ class Png:
|
|||
|
||||
# read, tweak, and write a Makefile
|
||||
|
||||
class MakeReader:
|
||||
class MakeReader(object):
|
||||
|
||||
# read a makefile
|
||||
# flag = 0 if file is full path name
|
||||
|
|
@ -2127,14 +2130,14 @@ class MakeReader:
|
|||
if not line.isdigit():
|
||||
if flag and i == 0:
|
||||
line = "# auto = makefile auto-generated by Make.py"
|
||||
print >>fp,line
|
||||
print(line, file=fp)
|
||||
else:
|
||||
index = int(line)
|
||||
name = self.varinfo[index][0]
|
||||
txt = self.varinfo[index][1]
|
||||
if name not in self.var: continue
|
||||
values = self.var[name]
|
||||
print >>fp,"%s%s" % (txt,' '.join(values))
|
||||
print("%s%s" % (txt,' '.join(values)), file=fp)
|
||||
|
||||
# ----------------------------------------------------------------
|
||||
# main program
|
||||
|
|
@ -2203,7 +2206,7 @@ while 1:
|
|||
switches[switch] = cmd_switches[switch]
|
||||
|
||||
argstr = switch2str(switches,switch_order)
|
||||
print "Redo command: Make.py",argstr
|
||||
print("Redo command: Make.py",argstr)
|
||||
else:
|
||||
switches = cmd_switches
|
||||
switch_order = cmd_switch_order
|
||||
|
|
@ -2246,10 +2249,10 @@ while 1:
|
|||
|
||||
if help or (actions and "-h" in actions.inlist) or not switches:
|
||||
if not help: help = Help(None)
|
||||
print help.help()
|
||||
print(help.help())
|
||||
for switch in switch_order:
|
||||
if switch == "h": continue
|
||||
print classes[switch].help()[1:]
|
||||
print(classes[switch].help()[1:])
|
||||
sys.exit()
|
||||
|
||||
# create needed default classes if not specified with switch
|
||||
|
|
@ -2298,7 +2301,7 @@ while 1:
|
|||
|
||||
if actions:
|
||||
for action in actions.alist:
|
||||
print "Action %s ..." % action
|
||||
print("Action %s ..." % action)
|
||||
if action.startswith("lib-"): actions.lib(action[4:])
|
||||
elif action == "file": actions.file("file")
|
||||
elif action == "clean": actions.clean()
|
||||
|
|
@ -2310,35 +2313,35 @@ while 1:
|
|||
|
||||
if output and actions and "exe" in actions.alist:
|
||||
txt = "cp %s/lmp_auto %s/lmp_%s" % (dir.src,dir.cwd,output.machine)
|
||||
commands.getoutput(txt)
|
||||
print "Created lmp_%s in %s" % (output.machine,dir.cwd)
|
||||
subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
print("Created lmp_%s in %s" % (output.machine,dir.cwd))
|
||||
|
||||
# create copy of Makefile.auto if requested, and file or exe action performed
|
||||
# ditto for library Makefile.auto and Makefile.lammps files
|
||||
|
||||
|
||||
if zoutput and actions and \
|
||||
("file" in actions.alist or "exe" in actions.alist):
|
||||
txt = "cp %s/MAKE/MINE/Makefile.auto %s/MAKE/MINE/Makefile.%s" % \
|
||||
(dir.src,dir.src,zoutput.machine)
|
||||
commands.getoutput(txt)
|
||||
print "Created Makefile.%s in %s/MAKE/MINE" % (zoutput.machine,dir.src)
|
||||
subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
print("Created Makefile.%s in %s/MAKE/MINE" % (zoutput.machine,dir.src))
|
||||
if gpubuildflag:
|
||||
txt = "cp %s/gpu/Makefile.auto %s/MAKE/MINE/Makefile_gpu.%s" % \
|
||||
(dir.lib,dir.src,zoutput.machine)
|
||||
commands.getoutput(txt)
|
||||
print "Created Makefile_gpu.%s in %s/MAKE/MINE" % \
|
||||
(zoutput.machine,dir.src)
|
||||
subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
print("Created Makefile_gpu.%s in %s/MAKE/MINE" % \
|
||||
(zoutput.machine,dir.src))
|
||||
txt = "cp %s/gpu/Makefile.lammps %s/MAKE/MINE/Makefile_gpu_lammps.%s" % \
|
||||
(dir.lib,dir.src,zoutput.machine)
|
||||
commands.getoutput(txt)
|
||||
print "Created Makefile_gpu_lammps.%s in %s/MAKE/MINE" % \
|
||||
(zoutput.machine,dir.src)
|
||||
subprocess.check_output(txt,stderr=subprocess.STDOUT,shell=True)
|
||||
print("Created Makefile_gpu_lammps.%s in %s/MAKE/MINE" % \
|
||||
(zoutput.machine,dir.src))
|
||||
|
||||
# write current Make.py command to src/Make.py.last
|
||||
|
||||
fp = open("%s/Make.py.last" % dir.src,'w')
|
||||
print >>fp,"# last invoked Make.py command"
|
||||
print >>fp,switch2str(switches,switch_order)
|
||||
print("# last invoked Make.py command", file=fp)
|
||||
print(switch2str(switches,switch_order), file=fp)
|
||||
fp.close()
|
||||
|
||||
# if not redoflag, done
|
||||
|
|
|
|||
Loading…
Reference in New Issue