49 lines
1.8 KiB
Python
49 lines
1.8 KiB
Python
# Copyright 2013-2019 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack import *
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class Memsurfer(PythonPackage):
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"""MemSurfer is a tool to compute and analyze membrane surfaces found in a
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wide variety of large-scale molecular simulations."""
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homepage = "https://github.com/LLNL/MemSurfer"
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git = "git@github.com:LLNL/MemSurfer.git"
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# url = "https://github.com/LLNL/MemSurfer/archive/1.0.tar.gz"
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# version('1.0', sha256='06e06eba88754b0c073f1c770981f7bdd501082986e4fbe28399be23b50138de')
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version('1.0', tag='v1.0', submodules=True)
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version('master', branch='master', submodules=True)
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# version('test', branch='ppoisson', submodules=True)
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variant('vtkmesa', default=False, description='Enable OSMesa support for VTK')
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extends('python@2.7.16')
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depends_on('cmake@3.14:')
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depends_on('swig@3.0.12')
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depends_on('py-cython')
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depends_on('py-numpy')
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depends_on('py-pip')
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depends_on('eigen@3.3.7')
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depends_on('cgal@4.13 +shared~core~demos~imageio')
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# vtk needs to know whether to build with mesa or opengl
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depends_on('vtk@8.1.2 +python+opengl2~mpi~haru', when='~vtkmesa')
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depends_on('vtk@8.1.2 +python+opengl2~mpi~haru +osmesa', when='+vtkmesa')
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# this is needed only to resolve the conflict between
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# the default and netcdf's spec
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depends_on('hdf5 +hl')
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# memsurfer's setup needs path to these deps to build extension modules
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def setup_build_environment(self, env):
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env.set('VTK_ROOT', self.spec['vtk'].prefix)
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env.set('CGAL_ROOT', self.spec['cgal'].prefix)
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env.set('BOOST_ROOT', self.spec['boost'].prefix)
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env.set('EIGEN_ROOT', self.spec['eigen'].prefix)
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