rayleigh: new package (#38338)

* rayleigh: new package

* Update var/spack/repos/builtin/packages/rayleigh/package.py

Co-authored-by: Wouter Deconinck <wdconinc@gmail.com>

* split edit into three methods

* add comments to clarify use of configure

* rayleigh: copyright year

---------

Co-authored-by: Wouter Deconinck <wdconinc@gmail.com>

1 files changed, 71 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/rayleigh/package.py b/var/spack/repos/builtin/packages/rayleigh/package.py
new file mode 100644
index 0000000000..2cc468ce1a
--- /dev/null
+++ b/var/spack/repos/builtin/packages/rayleigh/package.py
@@ -0,0 +1,71 @@
+# Copyright 2013-2024 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)
+
+import os
+
+from spack.package import *
+
+
+class Rayleigh(MakefilePackage):
+    """Rayleigh is a 3-D convection code designed for the study of
+    dynamo behavior in spherical geometry."""
+
+    homepage = "https://github.com/geodynamics/Rayleigh"
+    url = "https://github.com/geodynamics/Rayleigh/archive/refs/tags/v1.0.1.tar.gz"
+    git = "https://github.com/geodynamics/Rayleigh.git"
+
+    maintainers("tukss")
+
+    version("main", branch="main")
+    version("1.1.0", sha256="93fbbdbde6088807638e4dcbd4d622203fd4753c1831bab2cb8eaeca5cba45c3")
+    version("1.0.1", sha256="9c9e3b0b180f32a889f158e2ea2967f4ac2bb2124f5d264f230efb8c8f19ea36")
+    version("1.0.0", sha256="4f2e8249256adff8c4b0bc377ceacf8a6441dcee54b7d36c784f05a454dc6dcf")
+    version("0.9.1", sha256="ab96445fc61822fe2d2cba8729a85b36de6b541febf5759de6d614847844573f")
+    version("0.9.0", sha256="63a80d1619cb639f3cb01ab82a441b77d736eee94469c47c50ab740fa81c08f4")
+
+    depends_on("mpi")
+    depends_on("fftw-api@3")
+    depends_on("lapack")
+
+    def setup_build_environment(self, env):
+        spec = self.spec
+        if spec.satisfies("^cray-mpich"):
+            # The Cray wrapper takes care of linking MPI correctly for all compilers.
+            env.set("FC", "ftn")
+        else:
+            env.set("FC", spec["mpi"].mpifc)
+
+    def edit(self, spec, prefix):
+        # Note that Rayleigh's configure script is a handcrafted file that is not generated
+        # by autotools. This is why we use MakefilePackage and call it manually.
+        # We pass in /dev/null as input to prevent interactive questions in configure.
+        configure("--prefix={}".format(prefix), *self.configure_args(), **{"input": os.devnull})
+
+    def configure_args(self):
+        spec = self.spec
+        args = []
+        if spec.satisfies("^mkl"):
+            args.append("--with-mkl={}".format(spec["mkl"].prefix))
+        else:
+            if not spec.satisfies("^cray-fftw"):
+                args.append("--with-fftw={}".format(spec["fftw"].prefix))
+
+            if spec.satisfies("^openblas"):
+                args.append("--openblas")
+            elif not spec.satisfies("^cray-libsci"):
+                args.append("--with-lapack={}".format(spec["lapack"].prefix))
+                args.append("--with-blas={}".format(spec["blas"].prefix))
+            else:
+                # Cray options are handled through modules and the compiler wrapper.
+                args.append("--LIBFLAGS=")
+                args.append("--INCLUDE=")
+
+        args.append("--FFLAGS_DBG=-O0 -g")
+        args.append(
+            "--FFLAGS_OPT=-O3 {}".format(
+                spec.target.optimization_flags(spec.compiler.name, str(spec.compiler.version))
+            )
+        )
+        return args