From 53bd964a59c0bff17476b51c4ec6ac76636eaad6 Mon Sep 17 00:00:00 2001
From: Hironori-Yamaji <52182908+Hironori-Yamaji@users.noreply.github.com>
Date: Sat, 3 Aug 2019 09:08:35 +0900
Subject: ermod: new package (#12192)

---
 var/spack/repos/builtin/packages/ermod/package.py | 28 +++++++++++++++++++++++
 1 file changed, 28 insertions(+)
 create mode 100644 var/spack/repos/builtin/packages/ermod/package.py

(limited to 'var')

diff --git a/var/spack/repos/builtin/packages/ermod/package.py b/var/spack/repos/builtin/packages/ermod/package.py
new file mode 100644
index 0000000000..d9d8586d71
--- /dev/null
+++ b/var/spack/repos/builtin/packages/ermod/package.py
@@ -0,0 +1,28 @@
+# 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
-- 
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