29 lines
1.1 KiB
Python
29 lines
1.1 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 Ermod(AutotoolsPackage):
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"""ERmod (Energy Representation Module) is a program to calculate the
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solvation free energy based on the energy representation method. The
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program allows users to calculate the solvation free energy to arbitrary
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solvents, including inhomogeneous systems, and can run in cooperation with
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state-of-art molecular simulation softwares, such as NAMD, GROMACS and/or
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AMBER. """
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homepage = "https://sourceforge.net/projects/ermod/"
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url = "https://sourceforge.net/projects/ermod/files/ermod-0.3%20%28stable%29/ermod-0.3.5.tar.gz"
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version('0.3.6', sha256='8fdd8e0844fcc34cda2bbbf8ad03168c1c2f1409e06967a96a0f2269bb5f1b6b')
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version('0.3.5', sha256='42043ba7f53e9b74d0327b9982f33a4b79ed6964fbeb409e33178a6dcdf9e827')
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depends_on('fftw')
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depends_on('blas')
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def configure_args(self):
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args = ['--with-blas=%s' % self.spec['blas'].libs.ld_flags]
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return args
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