#!/usr/bin/env python

# Copyright (C) 2003 CAMP

# Please see the accompanying LICENSE file for further information.

import os

import sys

import distutils

import distutils.util

from distutils.core import setup, Extension

from glob import glob

from os.path import join

from config import (check_packages, get_system_config, get_parallel_config,

get_scalapack_config, get_hdf5_config, check_dependencies,

write_configuration, build_interpreter, get_config_vars)

# Get the current version number:

try:

execfile('gpaw/svnversion_io.py') # write gpaw/svnversion.py and get

# svnversion

except ValueError:

svnversion = ''

execfile('gpaw/version.py') # get version_base

if svnversion:

version = version_base + '.' + svnversion

else:

version = version_base

long_description = """\

A grid-based real-space Projector Augmented Wave (PAW) method Density

Functional Theory (DFT) code featuring: Flexible boundary conditions,

k-points and gradient corrected exchange-correlation functionals."""

msg = [' ']

libraries = []

library_dirs = []

include_dirs = []

extra_link_args = []

extra_compile_args = []

runtime_library_dirs = []

extra_objects = []

define_macros = [('NPY_NO_DEPRECATED_API', 7)]

undef_macros = []

mpi_libraries = []

mpi_library_dirs = []

mpi_include_dirs = []

mpi_runtime_library_dirs = []

mpi_define_macros = []

platform_id = ''

packages = ['gpaw',

'gpaw.xc.gllb']

include_ase = False

if '--include-ase' in sys.argv:

include_ase = True

sys.argv.remove('--include-ase')

import_numpy = True

if '--ignore-numpy' in sys.argv:

import_numpy = False

sys.argv.remove('--ignore-numpy')

remove_default_flags = False

if '--remove-default-flags' in sys.argv:

remove_default_flags = True

sys.argv.remove('--remove-default-flags')

customize = 'customize.py'

for i, arg in enumerate(sys.argv):

if arg.startswith('--customize'):

customize = sys.argv.pop(i).split('=')[1]

break

check_packages(packages, msg, include_ase, import_numpy)

get_system_config(define_macros, undef_macros,

include_dirs, libraries, library_dirs,

extra_link_args, extra_compile_args,

runtime_library_dirs, extra_objects, msg,

import_numpy)

mpicompiler = get_parallel_config(mpi_libraries,

mpi_define_macros)

mpilinker = mpicompiler

compiler = None

scalapack = False

hdf5 = False

# User provided customizations:

execfile(customize)

if platform_id != '':

my_platform = distutils.util.get_platform() + '-' + platform_id

def my_get_platform():

return my_platform

distutils.util.get_platform = my_get_platform

if compiler is not None:

msg += ['* Compiling gpaw with %s' % compiler]

# A hack to change the used compiler and linker:

vars = get_config_vars()

if remove_default_flags:

for key in ['BASECFLAGS', 'CFLAGS', 'OPT', 'PY_CFLAGS',

'CCSHARED', 'CFLAGSFORSHARED', 'LINKFORSHARED',

'LIBS', 'SHLIBS']:

if key in vars:

value = vars[key].split()

# remove all gcc flags (causing problems with other compilers)

for v in list(value):

value.remove(v)

vars[key] = ' '.join(value)

for key in ['CC', 'LDSHARED']:

if key in vars:

value = vars[key].split()

# first argument is the compiler/linker. Replace with mpicompiler:

value[0] = compiler

vars[key] = ' '.join(value)

custom_interpreter = False

# Check the command line so that custom interpreter is build only with

# 'build', 'build_ext', or 'install':

if mpicompiler is not None:

for cmd in ['build', 'build_ext', 'install']:

if cmd in sys.argv:

custom_interpreter = True

break

# apply ScaLapack settings

if scalapack:

get_scalapack_config(define_macros)

msg.append('* Compiling with ScaLapack')

# distutils clean does not remove the _gpaw.so library and gpaw-python

# binary so do it here:

plat = distutils.util.get_platform()

msg += ['* Architecture: ' + plat]

plat = plat + '-' + sys.version[0:3]

gpawso = 'build/lib.%s/' % plat + '_gpaw.so'

gpawbin = 'build/bin.%s/' % plat + 'gpaw-python'

if 'clean' in sys.argv:

if os.path.isfile(gpawso):

print 'removing ', gpawso

os.remove(gpawso)

if os.path.isfile(gpawbin):

print 'removing ', gpawbin

os.remove(gpawbin)

sources = glob('c/*.c') + ['c/bmgs/bmgs.c']

sources = sources + glob('c/xc/*.c')

check_dependencies(sources)

extension = Extension('_gpaw',

extra_objects=extra_objects)

extensions = [extension]

if hdf5:

hdf5_sources = ['c/hdf5.c']

get_hdf5_config(define_macros)

msg.append('* Compiling with HDF5')

hdf5_extension = Extension('_hdf5',

hdf5_sources,

libraries=libraries,

library_dirs=library_dirs,

include_dirs=include_dirs,

define_macros=define_macros,

undef_macros=undef_macros,

extra_link_args=extra_link_args,

extra_compile_args=extra_compile_args,

runtime_library_dirs=runtime_library_dirs,

extra_objects=extra_objects)

extensions.append(hdf5_extension)

scripts = [join('tools', script)

'gpaw-install-setups')]

write_configuration(define_macros, include_dirs, libraries, library_dirs,

extra_link_args, extra_compile_args,

runtime_library_dirs, extra_objects, mpicompiler,

mpi_libraries, mpi_library_dirs, mpi_include_dirs,

mpi_runtime_library_dirs, mpi_define_macros)

setup(name='gpaw',

version=version,

description='A grid-based real-space PAW method DFT code',

author='J. J. Mortensen, et.al.',

author_email='jensj@fysik.dtu.dk',

url='http://www.fysik.dtu.dk',

license='GPLv3+',

platforms=['unix'],

packages=packages,

ext_modules=extensions,

scripts=scripts,

long_description=long_description,

)

if custom_interpreter:

scripts.append('build/bin.%s/' % plat + 'gpaw-python')

error, par_msg = build_interpreter(

define_macros, include_dirs, libraries,

library_dirs, extra_link_args, extra_compile_args,

runtime_library_dirs, extra_objects,

mpicompiler, mpilinker, mpi_libraries,

mpi_library_dirs,

mpi_include_dirs,

mpi_runtime_library_dirs, mpi_define_macros)

msg += par_msg

# install also gpaw-python

if 'install' in sys.argv and error == 0:

setup(name='gpaw',

version=version,

description='A grid-based real-space PAW method DFT code',

author='J. J. Mortensen, et.al.',

author_email='jensj@fysik.dtu.dk',

url='http://www.fysik.dtu.dk',

license='GPLv3+',

platforms=['unix'],

packages=packages,

ext_modules=[extension],

scripts=scripts,

long_description=long_description,

)

else:

msg += ['* Only a serial version of gpaw was built!']

# Messages make sense only when building

if 'build' in sys.argv or 'build_ext' in sys.argv or 'install' in sys.argv:

for line in msg:

print line