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# Copyright 2013-2022 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.package import *
class Memsurfer(PythonPackage):
"""MemSurfer is a tool to compute and analyze membrane surfaces found in a
wide variety of large-scale molecular simulations."""
homepage = "https://github.com/LLNL/MemSurfer"
git = "https://github.com/LLNL/MemSurfer.git"
maintainers = ['bhatiaharsh']
version('1.0', tag='v1.0', submodules=True)
version('master', branch='master', submodules=True)
version('develop', branch='develop', submodules=True)
variant('osmesa', default=False,
description='Enable OSMesa support (for VTK)')
extends('python')
depends_on('python@3.7:', type=('build', 'run'))
depends_on('py-setuptools', type='build')
depends_on('cmake@3.14:', type='build')
depends_on('swig@3.0.12', type='build')
depends_on('py-cython', type='build')
depends_on('py-numpy', type=('build', 'run'))
depends_on('eigen@3.3.7')
depends_on('cgal@4.13 +shared~core~demos~imageio')
# vtk needs to know whether to build with mesa or opengl
vtk_conf = '~ffmpeg~mpi+opengl2~qt~xdmf+python'
depends_on('vtk@8.1.2 ' + vtk_conf + ' ~osmesa', when='~osmesa')
depends_on('vtk@8.1.2 ' + vtk_conf + ' +osmesa', when='+osmesa')
# needed only to resolve the conflict between the default and netcdf's spec
depends_on('hdf5 +hl')
# memsurfer's setup needs path to these deps to build extension modules
def setup_build_environment(self, env):
env.set('VTK_ROOT', self.spec['vtk'].prefix)
env.set('CGAL_ROOT', self.spec['cgal'].prefix)
env.set('BOOST_ROOT', self.spec['boost'].prefix)
env.set('EIGEN_ROOT', self.spec['eigen'].prefix)
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