memsurfer: add new package

var/spack/repos/builtin/packages/memsurfer/package.py

@@ -0,0 +1,48 @@
+# Copyright 2013-2019 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 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      = "git@github.com:LLNL/MemSurfer.git"
+    # url      = "https://github.com/LLNL/MemSurfer/archive/1.0.tar.gz"
+
+    # version('1.0', sha256='06e06eba88754b0c073f1c770981f7bdd501082986e4fbe28399be23b50138de')
+    version('1.0', tag='v1.0', submodules=True)
+    version('master', branch='master', submodules=True)
+    # version('test', branch='ppoisson', submodules=True)
+
+    variant('vtkmesa', default=False, description='Enable OSMesa support for VTK')
+
+    extends('python@2.7.16')
+    depends_on('cmake@3.14:')
+    depends_on('swig@3.0.12')
+    depends_on('py-cython')
+    depends_on('py-numpy')
+    depends_on('py-pip')
+
+    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 +python+opengl2~mpi~haru', when='~vtkmesa')
+    depends_on('vtk@8.1.2 +python+opengl2~mpi~haru +osmesa', when='+vtkmesa')
+
+    # this is 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_environment(self, spack_env, run_env):
+        spack_env.set('VTK_ROOT', self.spec['vtk'].prefix)
+        spack_env.set('CGAL_ROOT', self.spec['cgal'].prefix)
+        spack_env.set('BOOST_ROOT', self.spec['boost'].prefix)
+        spack_env.set('EIGEN_ROOT', self.spec['eigen'].prefix)