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# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class Molden(MakefilePackage):
"""A package for displaying Molecular Density from various
Ab Initio packages"""
homepage = "https://www3.cmbi.umcn.nl/molden/"
url = "ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden6.5.tar.gz"
maintainers = ['dev-zero']
version('6.5', sha256='192631a0996b2bfa9f6b0769f83da38a9e4f83b1db9358982b23d6a594b4e8d4')
depends_on('libx11')
depends_on('libxmu')
depends_on('gl@3:')
depends_on('glu@1.3')
depends_on('makedepend', type='build')
parallel = False # building in parallel is broken
build_targets = ['clean', 'all']
patch('for_aarch64.patch', when='target=aarch64:')
def edit(self, spec, prefix):
makefile = FileFilter('makefile')
# never register extensions
makefile.filter(r'(\s*)EXTEN = .*', r'\1EXTEN =')
# always Spacks wrappers:
makefile.filter(r'(\s*)CC = .*', r'\1CC = cc')
makefile.filter(r'(\s*)FC = .*', r'\1FC = f77')
# make sure we don't link in system X11 libs:
makefile.filter(
r'(.+)-L/usr/(?:X11R6/lib|X11R6/lib64|lib/X11) (.*)',
r'\1 \2')
makefile.filter(
r'(.+)-I/usr/(?:X11R6/include|include/X11) (.*)',
r'\1 \2')
# enable basic optimization flags, arch-specific is done via wrappers
cflags = '-O2 -funroll-loops'
fflags = cflags
if '%gcc@10:' in self.spec:
fflags += '-fallow-argument-mismatch'
makefile.filter(r'CFLAGS = (.*)', r'CFLAGS = {0} \1'.format(cflags))
makefile.filter(r'FFLAGS = (.*)', r'FFLAGS = {0} \1'.format(fflags))
if spec.target.family == 'aarch64':
makefile.filter(r'AFLAG=*', r'AFLAG=')
makefile.filter(r'rm -f src/', r'rm -f ')
def install(self, spec, prefix):
install_tree('bin', prefix.bin)
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