Add algorithmic differentiation packages for SU2 (#39975)

* Add algorithmic differentiation packages for SU2
* Simplify checking boolean variants
* spack prefix and spec satisfies methos fix
* spelling fix
* style fix

var/spack/repos/builtin/packages/codipack/package.py

@@ -0,0 +1,36 @@
+# Copyright 2013-2023 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.package import *
+
+
+class Codipack(CMakePackage, Package):
+    """CoDiPack is a C++-library that enables the computation of gradients in computer programs
+    using Algorithmic Differentiation. It is based on the Operator Overloading approach and uses
+    static polymorphism and expression templates, resulting in an extremely fast evaluation of
+    adjoints or forward derivatives. It is specifically designed with HPC applications in mind."""
+
+    homepage = "https://www.scicomp.uni-kl.de/software/codi/"
+    url = "https://github.com/SciCompKL/CoDiPack/archive/refs/tags/v2.1.0.tar.gz"
+    git = "https://github.com/SciCompKL/CoDiPack.git"
+
+    version("2.1.0", sha256="c8d07eb01eaa056175902d5b153b8606b05d208ff0a541d15284f4d9ff6e87c2")
+    version("2.0.2", sha256="c6eecfdbf5818daf80871461f23f8a29b5b72e314d2034047d0b0fcd44744339")
+    version("1.9.3", sha256="27dd92d0b5132de37b431989c0c3d5bd829821a6a2e31e0529137e427421f06e")
+    version("openmp", branch="experimentalOpenMPSupport")
+
+    depends_on("cmake@3.12:", type="build", when="@2.1.0:")
+
+    build_system(
+        conditional("cmake", when="@2.1.0:"),
+        conditional("generic", when="@:2.0.2"),
+        default="cmake",
+    )
+
+
+class GenericBuilder(spack.build_systems.generic.GenericBuilder):
+    def install(self, pkg, spec, prefix):
+        mkdirp(join_path(prefix, "include"))
+        install_tree(join_path(self.stage.source_path, "include"), join_path(prefix, "include"))

var/spack/repos/builtin/packages/medipack/package.py

@@ -0,0 +1,31 @@
+# Copyright 2013-2023 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.package import *
+
+
+class Medipack(CMakePackage):
+    """MeDiPack (Message Differentiation Package) is a tool that handles the MPI communication
+    of Algorithmic Differentiation (AD) tools like CoDiPack."""
+
+    homepage = "https://github.com/SciCompKL/MeDiPack"
+    url = "https://github.com/SciCompKL/MeDiPack/archive/refs/tags/v1.2.2.tar.gz"
+
+    version("1.2.2", sha256="8937fa1025c6fb12f516cacf38a7f776221e7e818b30f17ce334c63f78513aa7")
+    version("1.2.1", sha256="c746196b98cfe24a212584cdb88bd12ebb14f4a54728070d605e0c6d0e75db8a")
+
+    depends_on("cmake@3.12:", type="build", when="@1.2.2:")
+
+    build_system(
+        conditional("cmake", when="@1.2.2:"),
+        conditional("generic", when="@:1.2.1"),
+        default="cmake",
+    )
+
+    def install(self, spec, prefix):
+        mkdirp(join_path(prefix, "include"))
+        install_tree(join_path(self.stage.source_path, "include"), join_path(prefix, "include"))
+        mkdirp(join_path(prefix, "src"))
+        install_tree(join_path(self.stage.source_path, "src"), join_path(prefix, "src"))

var/spack/repos/builtin/packages/opdilib/package.py

@@ -0,0 +1,25 @@
+# Copyright 2013-2023 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.package import *
+
+
+class Opdilib(Package):
+    """OpDiLib (Open Multiprocessing Differentiation Library) is a universal add-on for
+    reverse mode operator overloading AD tools that enables the differentiation of
+    OpenMP parallel code."""
+
+    homepage = "https://github.com/SciCompKL/OpDiLib"
+    url = "https://github.com/SciCompKL/OpDiLib/archive/refs/tags/v1.5.tar.gz"
+
+    version("1.5", sha256="47b345954df5e7ee8147e7b29db2ec160ba02ccc93b3b88af0b34bb880170248")
+    version("1.4", sha256="f1dd2575a8c3b2328df89b732dbeaa23657731d77e4bf7ee201c6571f20d13d5")
+    version("1.3.2", sha256="5da4a99ab1332e5c3746cb6d55ee4cd96ce578b06987e2b10e33ae6413b7cf7a")
+
+    def install(self, spec, prefix):
+        mkdirp(join_path(prefix, "include"))
+        install_tree(join_path(self.stage.source_path, "include"), join_path(prefix, "include"))
+        mkdirp(join_path(prefix, "syntax"))
+        install_tree(join_path(self.stage.source_path, "syntax"), join_path(prefix, "syntax"))

var/spack/repos/builtin/packages/su2/package.py

@@ -36,20 +36,20 @@ class Su2(MesonPackage):
     version("7.0.0", sha256="6207dcca15eaebc11ce12b2866c937b4ad9b93274edf6f23d0487948ac3963b8")
     version("6.2.0", sha256="ffc953326e8432a1a6534556a5f6cf086046d3149cfcec6b4e7390eebe30ce2e")
 
-    variant("mpi", default=False, description="enable MPI support")
+    variant("mpi", default=False, description="Enable MPI support")
-    variant("openmp", default=False, description="enable OpenMP support")
+    variant("openmp", default=False, description="Enable OpenMP support")
-    variant("tecio", default=True, description="enable TECIO support")
+    variant("tecio", default=True, description="Enable TECIO support")
-    variant("cgns", default=True, description="enable CGNS support")
+    variant("cgns", default=True, description="Enable CGNS support")
-    variant("autodiff", default=False, description="enable AD(reverse) support")
+    variant("autodiff", default=False, description="Enable AD(reverse) support")
-    variant("directdiff", default=False, description="enable AD(forward) support")
+    variant("directdiff", default=False, description="Enable AD(forward) support")
-    variant("pywrapper", default=False, description="enable Python wrapper support")
+    variant("pywrapper", default=False, description="Enable Python wrapper support")
-    variant("mkl", default=False, description="enable Intel MKL support")
+    variant("mkl", default=False, description="Enable Intel MKL support")
-    variant("openblas", default=False, description="enable OpenBLAS support")
+    variant("openblas", default=False, description="Enable OpenBLAS support")
-    variant("mpp", default=False, description="enable Mutation++ support")
+    variant("mpp", default=False, description="Enable Mutation++ support")
     variant(
         "mixedprec",
         default=False,
-        description="use single precision floating point arithmetic for sparse algebra",
+        description="Enable the use of single precision on linear solvers and preconditioners",
     )
 
     depends_on("meson@0.61.1:", type=("build"))
@@ -63,17 +63,54 @@ class Su2(MesonPackage):
     depends_on("openblas", when="+openblas ~mkl")
     depends_on("cmake", type="build", when="+mpp")
 
+    depends_on("codipack@:1.9.3", when="+autodiff")
+    depends_on("codipack@:1.9.3", when="+directdiff")
+    depends_on("medipack", when="+autodiff +mpi")
+    depends_on("medipack", when="+directdiff +mpi")
+    depends_on("opdilib", when="+autodiff +openmp")
+    depends_on("opdilib", when="+directdiff +openmp")
+    depends_on("codipack@openmp", when="+autodiff +openmp")
+    depends_on("codipack@openmp", when="+directdiff +openmp")
+
     # Remove the part that fixes the meson version to 0.61.1.
     # This fix is considered meaningless and will be removed in the next version(@7.6:) of SU2.
     patch("meson_version.patch", when="@7.4.0:7.5.1")
 
+    def patch(self):
+        if self.spec.satisfies("+autodiff") or self.spec.satisfies("+directdiff"):
+            filter_file(
+                "externals/codi/include",
+                join_path(self.spec["codipack"].prefix, "include"),
+                "meson.build",
+            )
+
+        if (
+            self.spec.satisfies("+autodiff") or self.spec.satisfies("+directdiff")
+        ) and self.spec.satisfiles("+mpi"):
+            filter_file(
+                "externals/medi/include", self.spec["medipack"].prefix.include, "meson.build"
+            )
+            filter_file("externals/medi/src", self.spec["medipack"].prefix.src, "meson.build")
+
+        if (
+            self.spec.satisfies("+autodiff") or self.spec.satisfies("+directdiff")
+        ) and self.spec.satisfies("+openmp"):
+            filter_file(
+                "externals/opdi/include", self.spec["opdilib"].prefix.include, "meson.build"
+            )
+            filter_file(
+                "externals/opdi/syntax/check.py",
+                join_path(self.spec["opdilib"].prefix.syntax, "check.py"),
+                "meson.build",
+            )
+
     def meson_args(self):
         args = [
             "-Dwith-omp={}".format("+openmp" in self.spec),
             "-Denable-tecio={}".format("+tecio" in self.spec),
             "-Denable-cgns={}".format("+cgns" in self.spec),
             "-Denable-autodiff={}".format("+autodiff" in self.spec),
-            "-Denable-directdiff={}".format("+direcdiff" in self.spec),
+            "-Denable-directdiff={}".format("+directdiff" in self.spec),
             "-Denable-pywrapper={}".format("+pywrapper" in self.spec),
             "-Denable-mkl={}".format("+mkl" in self.spec),
             "-Denable-openblas={}".format("+openblas" in self.spec),