MRCPP: New package. (#15201)

1 files changed, 46 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/mrcpp/package.py b/var/spack/repos/builtin/packages/mrcpp/package.py
new file mode 100644
index 0000000000..558b145a71
--- /dev/null
+++ b/var/spack/repos/builtin/packages/mrcpp/package.py
@@ -0,0 +1,46 @@
+# Copyright 2013-2020 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 Mrcpp(CMakePackage):
+    """The MultiResolution Computation Program Package (MRCPP) is a general purpose
+    numerical mathematics library based on multiresolution analysis and the
+    multiwavelet basis which provide low-scaling algorithms as well as rigorous
+    error control in numerical computations."""
+
+    homepage = "https://mrcpp.readthedocs.io/en/latest/"
+    url = "https://github.com/MRChemSoft/mrcpp/archive/v1.1.0.tar.gz"
+
+    maintainers = ["robertodr", "stigrj", "ilfreddy"]
+
+    version('1.2.0-alpha2',
+            sha256='8f4df594751a5b7e76b09a62450c6c4956b1974876afa143cc9b5703156ccd40')
+    version('1.1.0',
+            sha256='e9ffb87eccbd45305f822a0b46b875788b70386b3c1d38add6540dc4e0327ab2',
+            preferred=True)
+    version('1.0.2',
+            sha256='d2b26f7d7b16fa67f16788119abc0f6c7562cb37ece9ba075c116463dcf19df3')
+    version('1.0.1',
+            sha256='b4d7120545da3531bc7aa0a4cb4eb579fdbe1f8e5d32b1fd1086976583e3e27c')
+    version('1.0.0',
+            sha256='0858146141d3a60232e8874380390f9e9fa0b1bd6e67099d5833704478213efd')
+
+    variant("openmp", default=True, description="Enable OpenMP support.")
+
+    variant("mpi", default=True, description="Enable MPI support")
+    depends_on("mpi", when="+mpi")
+
+    depends_on("cmake@3.11:", type="build")
+    depends_on("eigen")
+
+    def cmake_args(self):
+        args = [
+            "-DENABLE_OPENMP={0}".format("ON" if "+openmp" in
+                                         self.spec else "OFF"),
+            "-DENABLE_MPI={0}".format("ON" if "+mpi" in self.spec else "OFF"),
+        ]
+        return args