From 3f50dcf6d91192253af320aaf72fcb13d307e137 Mon Sep 17 00:00:00 2001 From: Harsh Bhatia Date: Tue, 16 Apr 2019 14:20:28 -0700 Subject: memsurfer: add new package --- .../repos/builtin/packages/memsurfer/package.py | 48 ++++++++++++++++++++++ 1 file changed, 48 insertions(+) create mode 100644 var/spack/repos/builtin/packages/memsurfer/package.py (limited to 'var') diff --git a/var/spack/repos/builtin/packages/memsurfer/package.py b/var/spack/repos/builtin/packages/memsurfer/package.py new file mode 100644 index 0000000000..6c28f3b293 --- /dev/null +++ b/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) -- cgit v1.2.3-70-g09d2