build

#! /usr/bin/env python
# Copyright (C) 2017 Paulo V. C. Medeiros
# This script builds BandUP
# This file is part of BandUP: Band Unfolding code for Plane-wave based calculations.
#
# BandUP is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
#  BandUP is distributed in the hope that it will be useful,
#  but WITHOUT ANY WARRANTY; without even the implied warranty of
#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#  GNU General Public License for more details.
#
#  You should have received a copy of the GNU General Public License
#  along with BandUP.  If not, see <http://www.gnu.org/licenses/>.
from __future__ import print_function
import argparse
import sys
import os
import time
working_dir = os.getcwd()
bandupy_path = os.path.join(working_dir, 'src', 'python_interface', 'bandupy') 
sys.path.insert(1, os.path.dirname(bandupy_path))
from bandupy.files import mkdir
from bandupy.build import (
    assert_valid_compiler,
    compatible_c,
    compatible_cpp,
    compatible_omp_flags,
    qe_interface_available,
    castep_interface_available,
)
from bandupy.constants import BANDUP_DIR, BANDUP_CONFIG_DIR, BANDUP_CONFIG_FILE

supported_fortran_compilers = ['ifort', 'gfortran', 'nagfor']
parser = argparse.ArgumentParser()
parser.add_argument(
    '-compiler', nargs='?', default=None, choices=supported_fortran_compilers,
    help=('If the fortran compiler is not explicitly chosen, the script will attempt '+
          'to use one of the allowed choices, in the same order they appear here.'),
)
parser.add_argument(
    '--doc', action='store_true', 
    help='Attempts to generate source code documentation using doxygen.'
)
parser.add_argument('--clean', action='store_true', 
                    help='Removes all files created when building BandUP.')
args = parser.parse_args()
args = assert_valid_compiler(args, supported_fortran_compilers)
omp_fcflag, omp_cflag = compatible_omp_flags(args.compiler)
c_comp = compatible_c(args.compiler)
cpp = compatible_cpp(args.compiler)

# Building (or cleaning, if "--clean" was passed)
clean = ''
if(args.clean): 
    clean = 'veryclean'
os.chdir(os.path.join(working_dir, 'src', 'external'))
# Compiling code from external sources
if(args.compiler=="nagfor"):
    # Not using openmp to compile spglib if NAG Fortran is used
    os.system('make FC=%s CC=%s %s'%(args.compiler, c_comp, clean))
else:
    os.system(
        'make FC=%s CC=%s OMP_FCFLAG=%s OMP_CFLAG=%s %s'%(
            args.compiler, c_comp, omp_fcflag, omp_cflag, clean
        )
    )
os.chdir(os.path.join(working_dir, 'src'))
if(args.doc and not args.clean):
    # Making source code documentation
    os.system('make sourcedoc')
else:
    # Making BandUP
    os.system('make FC=%s CC=%s %s'%(args.compiler, c_comp, clean))
os.chdir(working_dir)

# Creating config dir and file
mkdir(BANDUP_CONFIG_DIR, ignore_existing=True)
now = time.strftime('%-H:%M UTC%z on %b %d, %Y')
with open(BANDUP_CONFIG_FILE, 'w') as f:
    f.write('# Created by BandUP on %s\n'%(now))
    f.write('BANDUPDIR=%s\n'%(BANDUP_DIR))
    if(qe_interface_available(calling_from_build_script=True)):
        f.write('QE_SUPPORT=True\n')
    if(castep_interface_available(calling_from_build_script=True)):
        f.write('CASTEP_SUPPORT=True\n')