revert change that accidentally undoes part of PRs #583 and #588

#!/usr/bin/env python

# install.py tool to do a generic build of a library

# soft linked to by many of the lib/Install.py files

# used to automate the steps described in the corresponding lib/README

# Install.py tool to do automate build of Colvars

import sys,commands,os

from __future__ import print_function

import sys,os,subprocess

# help message

help = """

Syntax: python Install.py -m machine -e suffix

Syntax from src dir: make lib-colvars args="-m machine -e suffix"

Syntax from lib/colvars dir: python Install.py -m machine -e suffix

specify -m and optionally -e, order does not matter

  -m = peform a clean followed by "make -f Makefile.machine"

       machine = suffix of a lib/Makefile.* file

       machine = suffix of a lib/colvars/Makefile.* or of a

         src/MAKE/MACHINES/Makefile.* file

  -e = set EXTRAMAKE variable in Makefile.machine to Makefile.lammps.suffix

       does not alter existing Makefile.machine

Examples:

make lib-colvars args="-m g++"     # build COLVARS lib with GNU g++ compiler

"""

# print error message or help

def error(str=None):

  if not str: print help

  else: print "ERROR",str

  if not str: print(help)

  else: print("ERROR"),str

  sys.exit()

# parse args

if nargs == 0: error()

machine = None

extraflag = 0

extraflag = False

iarg = 0

while iarg < nargs:

  if args[iarg] == "-m":

    if iarg+2 > nargs: error()

    if iarg+2 > len(args): error()

    machine = args[iarg+1]

    iarg += 2  

  elif args[iarg] == "-e":

    if iarg+2 > nargs: error()

    extraflag = 1

    if iarg+2 > len(args): error()

    extraflag = True

    suffix = args[iarg+1]

    iarg += 2  

  else: error()

cwd = os.getcwd()

lib = os.path.basename(cwd)

# create Makefile.auto as copy of Makefile.machine

# reset EXTRAMAKE if requested

def get_lammps_machine_flags(machine):

  """Parse Makefile.machine from LAMMPS, return dictionary of compiler flags"""

  if not os.path.exists("../../src/MAKE/MACHINES/Makefile.%s" % machine):

    error("Cannot locate src/MAKE/MACHINES/Makefile.%s" % machine)

  lines = open("../../src/MAKE/MACHINES/Makefile.%s" % machine,

               'r').readlines()

  machine_flags = {}

  for line in lines:

    line = line.partition('#')[0]

    line = line.rstrip()

    words = line.split()

    if (len(words) > 2):

      if ((words[0] == 'CC') or (words[0] == 'CCFLAGS') or

          (words[0] == 'SHFLAGS') or (words[0] == 'ARCHIVE') or

          (words[0] == 'ARFLAGS') or (words[0] == 'SHELL')):

        machine_flags[words[0]] = ' '.join(words[2:])

  return machine_flags

def gen_colvars_makefile_machine(machine, machine_flags):

  """Generate Makefile.machine for Colvars given the compiler flags"""

  machine_makefile = open("Makefile.%s" % machine, 'w')

  machine_makefile.write('''# -*- makefile -*- to build Colvars module with %s

COLVARS_LIB = libcolvars.a

COLVARS_OBJ_DIR =

CXX =		%s

CXXFLAGS =	%s %s

AR =		%s

ARFLAGS =	%s

SHELL =		%s

include Makefile.common

.PHONY: default clean

default: $(COLVARS_LIB) Makefile.lammps

clean:

	-rm -f $(COLVARS_OBJS) $(COLVARS_LIB)

''' % (machine, machine_flags['CC'],

       machine_flags['CCFLAGS'], machine_flags['SHFLAGS'] ,

       machine_flags['ARCHIVE'], machine_flags['ARFLAGS'],

       machine_flags['SHELL']))

if not os.path.exists("Makefile.%s" % machine):

  machine_flags = get_lammps_machine_flags(machine)

  gen_colvars_makefile_machine(machine, machine_flags)

if not os.path.exists("Makefile.%s" % machine):

  error("lib/%s/Makefile.%s does not exist" % (lib,machine))

# create Makefile.auto as copy of Makefile.machine

# reset EXTRAMAKE if requested

lines = open("Makefile.%s" % machine,'r').readlines()

fp = open("Makefile.auto",'w')

for line in lines:

  words = line.split()

  if len(words) == 3 and extraflag and \

        words[0] == "EXTRAMAKE" and words[1] == '=':

    line = line.replace(words[2],"Makefile.lammps.%s" % suffix)

  print >>fp,line,

  fp.write(line)

fp.close()

# make the library via Makefile.auto

print "Building lib%s.a ..." % lib

cmd = "make -f Makefile.auto clean; make -f Makefile.auto"

txt = commands.getoutput(cmd)

print txt

try:

  import multiprocessing

  n_cpus = multiprocessing.cpu_count()

except:

  n_cpus = 1

print("Building lib%s.a ..." % lib)

cmd = ["make -f Makefile.auto clean"]

print(subprocess.check_output(cmd, shell=True).decode())

cmd = ["make -f Makefile.auto -j%d" % n_cpus]

print(subprocess.check_output(cmd, shell=True).decode())

if os.path.exists("lib%s.a" % lib): print "Build was successful"

if os.path.exists("lib%s.a" % lib): print("Build was successful")

else: error("Build of lib/%s/lib%s.a was NOT successful" % (lib,lib))

if not os.path.exists("Makefile.lammps"):

  print "lib/%s/Makefile.lammps was NOT created" % lib

  print("lib/%s/Makefile.lammps was NOT created" % lib)