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##############################################################################
# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
# Produced at the Lawrence Livermore National Laboratory.
#
# This file is part of Spack.
# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
# LLNL-CODE-647188
#
# For details, see https://github.com/spack/spack
# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU Lesser General Public License (as
# published by the Free Software Foundation) version 2.1, February 1999.
#
# This program 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 terms and
# conditions of the GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
from shutil import copyfile
from shutil import copymode
import sys
class AutodockVina(MakefilePackage):
"""AutoDock Vina is an open-source program for doing molecular docking"""
homepage = "http://vina.scripps.edu/"
url = "http://vina.scripps.edu/download/autodock_vina_1_1_2.tgz"
version('1_1_2', 'b467b71ee77dd155b65b1c5364e4220f')
depends_on('boost@1.65.0')
# Replacing depecrated function call of boost with current function call
patch('main.patch')
patch('split.patch')
@property
def build_directory(self):
if sys.platform == "darwin":
return join_path('build', 'mac', 'release')
else:
return join_path('build', 'linux', 'release')
def edit(self, spec, prefix):
with working_dir(self.build_directory):
makefile = FileFilter('Makefile')
makefile.filter('BOOST_INCLUDE = .*', 'BOOST_INCLUDE = %s' %
self.spec['boost'].prefix.include)
makefile.filter('C_PLATFORM=.*', 'C_PLATFORM=-pthread')
makefile.filter('GPP=.*', 'GPP=%s' % spack_cc)
mcp = FileFilter('../../makefile_common')
mcp.filter('LIBS = ', 'LIBS = -l stdc++ -lm ')
def build(self, spec, prefix):
with working_dir(self.build_directory):
make()
def install(self, spec, prefix):
with working_dir(self.build_directory):
mkdirp(prefix.bin)
copyfile("vina", join_path(prefix.bin, "vina"))
copymode("vina", join_path(prefix.bin, "vina"))
copyfile("vina_split", join_path(prefix.bin, "vina_split"))
copymode("vina_split", join_path(prefix.bin, "vina_split"))
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