# Copyright 2013-2023 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", commit="93d114016cd3ef48950bc53cca0a6e9f70589361", 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 depends_on("vtk@8.1.2 ~ffmpeg~mpi+opengl2~qt~xdmf+python") depends_on("vtk ~osmesa", when="~osmesa") depends_on("vtk +osmesa", when="+osmesa") # 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)