forked from lijiext/lammps
143 lines
4.0 KiB
Python
143 lines
4.0 KiB
Python
#!/usr/bin/env python
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# Install.py tool to do automate build of Colvars
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from __future__ import print_function
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import sys,os,subprocess
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# help message
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help = """
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Syntax from src dir: make lib-colvars args="-m machine -e suffix"
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Syntax from lib/colvars dir: python Install.py -m machine -e suffix
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specify -m and optionally -e, order does not matter
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-m = delete all existing objects, followed by "make -f Makefile.machine"
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machine = suffix of a lib/colvars/Makefile.* or of a
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src/MAKE/MACHINES/Makefile.* file
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-e = set EXTRAMAKE variable in Makefile.machine to Makefile.lammps.suffix
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does not alter existing Makefile.machine
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Examples:
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make lib-colvars args="-m mpi" # build COLVARS lib with default mpi compiler wrapper
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"""
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# print error message or help
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def error(str=None):
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if not str: print(help)
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else: print("ERROR",str)
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sys.exit()
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# parse args
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args = sys.argv[1:]
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nargs = len(args)
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if nargs == 0: error()
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machine = None
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extraflag = False
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iarg = 0
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while iarg < nargs:
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if args[iarg] == "-m":
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if iarg+2 > len(args): error()
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machine = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-e":
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if iarg+2 > len(args): error()
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extraflag = True
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suffix = args[iarg+1]
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iarg += 2
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else: error()
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# set lib from working dir
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cwd = os.getcwd()
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lib = os.path.basename(cwd)
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def get_lammps_machine_flags(machine):
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"""Parse Makefile.machine from LAMMPS, return dictionary of compiler flags"""
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if not os.path.exists("../../src/MAKE/MACHINES/Makefile.%s" % machine):
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error("Cannot locate src/MAKE/MACHINES/Makefile.%s" % machine)
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lines = open("../../src/MAKE/MACHINES/Makefile.%s" % machine,
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'r').readlines()
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machine_flags = {}
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for line in lines:
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line = line.partition('#')[0]
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line = line.rstrip()
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words = line.split()
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if (len(words) > 2):
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if ((words[0] == 'CC') or (words[0] == 'CCFLAGS') or
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(words[0] == 'SHFLAGS') or (words[0] == 'ARCHIVE') or
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(words[0] == 'ARFLAGS') or (words[0] == 'SHELL')):
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machine_flags[words[0]] = ' '.join(words[2:])
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return machine_flags
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def gen_colvars_makefile_machine(machine, machine_flags):
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"""Generate Makefile.machine for Colvars given the compiler flags"""
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machine_makefile = open("Makefile.%s" % machine, 'w')
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machine_makefile.write('''# -*- makefile -*- to build Colvars module with %s
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COLVARS_LIB = libcolvars.a
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COLVARS_OBJ_DIR =
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CXX = %s
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CXXFLAGS = %s %s
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AR = %s
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ARFLAGS = %s
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SHELL = %s
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include Makefile.common
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.PHONY: default clean
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default: $(COLVARS_LIB) Makefile.lammps
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clean:
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-rm -f $(COLVARS_OBJS) $(COLVARS_LIB)
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''' % (machine, machine_flags['CC'],
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machine_flags['CCFLAGS'], machine_flags['SHFLAGS'] ,
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machine_flags['ARCHIVE'], machine_flags['ARFLAGS'],
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machine_flags['SHELL']))
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if not os.path.exists("Makefile.%s" % machine):
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machine_flags = get_lammps_machine_flags(machine)
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gen_colvars_makefile_machine(machine, machine_flags)
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if not os.path.exists("Makefile.%s" % machine):
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error("lib/%s/Makefile.%s does not exist" % (lib,machine))
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# create Makefile.auto as copy of Makefile.machine
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# reset EXTRAMAKE if requested
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lines = open("Makefile.%s" % machine,'r').readlines()
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fp = open("Makefile.auto",'w')
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for line in lines:
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words = line.split()
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if len(words) == 3 and extraflag and \
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words[0] == "EXTRAMAKE" and words[1] == '=':
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line = line.replace(words[2],"Makefile.lammps.%s" % suffix)
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fp.write(line)
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fp.close()
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# make the library via Makefile.auto optionally with parallel make
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try:
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import multiprocessing
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n_cpus = multiprocessing.cpu_count()
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except:
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n_cpus = 1
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print("Building lib%s.a ..." % lib)
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cmd = ["make -f Makefile.auto clean"]
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print(subprocess.check_output(cmd, shell=True).decode('UTF-8'))
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cmd = ["make -f Makefile.auto -j%d" % n_cpus]
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print(subprocess.check_output(cmd, shell=True).decode('UTF-8'))
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if os.path.exists("lib%s.a" % lib): print("Build was successful")
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else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))
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if not os.path.exists("Makefile.lammps"):
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print("lib/%s/Makefile.lammps was NOT created" % lib)
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