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-rw-r--r--var/spack/repos/builtin/packages/ermod/package.py28
1 files changed, 28 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/ermod/package.py b/var/spack/repos/builtin/packages/ermod/package.py
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+++ b/var/spack/repos/builtin/packages/ermod/package.py
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+# 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 Ermod(AutotoolsPackage):
+ """ERmod (Energy Representation Module) is a program to calculate the
+ solvation free energy based on the energy representation method. The
+ program allows users to calculate the solvation free energy to arbitrary
+ solvents, including inhomogeneous systems, and can run in cooperation with
+ state-of-art molecular simulation softwares, such as NAMD, GROMACS and/or
+ AMBER. """
+
+ homepage = "https://sourceforge.net/projects/ermod/"
+ url = "https://sourceforge.net/projects/ermod/files/ermod-0.3%20%28stable%29/ermod-0.3.5.tar.gz"
+
+ version('0.3.6', sha256='8fdd8e0844fcc34cda2bbbf8ad03168c1c2f1409e06967a96a0f2269bb5f1b6b')
+ version('0.3.5', sha256='42043ba7f53e9b74d0327b9982f33a4b79ed6964fbeb409e33178a6dcdf9e827')
+
+ depends_on('fftw')
+ depends_on('blas')
+
+ def configure_args(self):
+ args = ['--with-blas=%s' % self.spec['blas'].libs.ld_flags]
+ return args