Update ESMF from spack develop: add python dependency and extension (…

…not for release/1.8.0) (#470)

Cherry-picking the changes from PR https://github.com/spack/spack/pull/45504/commits for our spack-stack-dev branch. With the exception of the "depends-on c/c++/fortran" changes (that our spack lib code doesn't support yet) and the disabling of OpenMP for macOS (only in our fork), the esmf package.py files are identical between spack develop and jcsda spack-stack-dev as of beginning of September 2024.

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

@@ -10,7 +10,7 @@
 from spack.package import *
 
 
-class Esmf(MakefilePackage):
+class Esmf(MakefilePackage, PythonExtension):
     """The Earth System Modeling Framework (ESMF) is high-performance, flexible
     software infrastructure for building and coupling weather, climate, and
     related Earth science applications. The ESMF defines an architecture for
@@ -96,6 +96,10 @@ class Esmf(MakefilePackage):
         description="Named variant for snapshots versions (e.g., 'b09')",
     )
 
+    # The way python is handled here is only avialable >=8.4.0
+    # https://github.com/esmf-org/esmf/releases/tag/v8.4.0
+    variant("python", default=False, description="Build python bindings", when="@8.4.0:")
+
     # Optional dependencies
     depends_on("mpi", when="+mpi")
     depends_on("lapack@3:", when="+external-lapack")
@@ -111,6 +115,20 @@ class Esmf(MakefilePackage):
     depends_on("parallelio@2.5.10: ~mpi", when="@8.5:+external-parallelio~mpi")
     depends_on("cmake@3.5.2:", type="build", when="~external-parallelio")
 
+    # python library
+    with when("+python"):
+        extends("python")
+        depends_on("py-pip")
+        depends_on("py-setuptools", type="build")
+        depends_on("py-wheel", type="build")
+        depends_on("py-mpi4py", when="+mpi")
+        depends_on("py-numpy")
+
+    # In esmf@8.4.0, esmx was introduced which depends on py-pyyaml
+    with when("@8.4.0:"):
+        depends_on("python", type="run")
+        depends_on("py-pyyaml", type="run")
+
     # Testing dependencies
     depends_on("perl", type="test")
 
@@ -142,6 +160,29 @@ class Esmf(MakefilePackage):
     # https://github.com/spack/spack/issues/35957
     patch("esmf_cpp_info.patch")
 
+    @when("+python")
+    def patch(self):
+        # The pyproject.toml file uses a dynamically generated version from git
+        # However, this results in a version of 0.0.0 and a mismatch with the loaded version
+        # so this hardcodes it to match the library's version
+        filter_file(
+            """dynamic = \\[\\s+"version"\\s+\\]""",
+            f"""version = "{self.version}" """,
+            os.path.join("src/addon/esmpy/pyproject.toml"),
+        )
+
+    def setup_run_environment(self, env):
+        env.set("ESMFMKFILE", os.path.join(self.prefix.lib, "esmf.mk"))
+
+
+class PythonPipBuilder(spack.build_systems.python.PythonPipBuilder):
+
+    @property
+    def build_directory(self):
+        return os.path.join(self.stage.source_path, "src/addon/esmpy")
+
+
+class MakefileBuilder(spack.build_systems.makefile.MakefileBuilder):
     # This is strictly required on Cray systems that use
     # the Cray compiler wrappers, where we need to swap
     # out the spack compiler wrappers in esmf.mk with the
@@ -213,43 +254,43 @@ def setup_build_environment(self, env):
         # ESMF_COMPILER must be set to select which Fortran and
         # C++ compilers are being used to build the ESMF library.
 
-        if self.compiler.name == "gcc":
+        if self.pkg.compiler.name == "gcc":
             env.set("ESMF_COMPILER", "gfortran")
-            with self.compiler.compiler_environment():
+            with self.pkg.compiler.compiler_environment():
                 gfortran_major_version = int(
                     spack.compiler.get_compiler_version_output(
-                        self.compiler.fc, "-dumpversion"
+                        self.pkg.compiler.fc, "-dumpversion"
                     ).split(".")[0]
                 )
-        elif self.compiler.name == "intel" or self.compiler.name == "oneapi":
+        elif self.pkg.compiler.name == "intel" or self.pkg.compiler.name == "oneapi":
             env.set("ESMF_COMPILER", "intel")
-        elif self.compiler.name in ["clang", "apple-clang"]:
+        elif self.pkg.compiler.name in ["clang", "apple-clang"]:
             # Turn off OpenMP with both versions of clang compilers
             # to avoid having to add clang OpenMP libraries to the
             # Fortran linker command.
             env.set("ESMF_OPENMP", "OFF")
             #
             env.set("ESMF_COMPILER", "gfortranclang")
-            with self.compiler.compiler_environment():
+            with self.pkg.compiler.compiler_environment():
                 gfortran_major_version = int(
                     spack.compiler.get_compiler_version_output(
-                        self.compiler.fc, "-dumpversion"
+                        self.pkg.compiler.fc, "-dumpversion"
                     ).split(".")[0]
                 )
-        elif self.compiler.name == "nag":
+        elif self.pkg.compiler.name == "nag":
             env.set("ESMF_COMPILER", "nag")
-        elif self.compiler.name == "pgi":
+        elif self.pkg.compiler.name == "pgi":
             env.set("ESMF_COMPILER", "pgi")
-        elif self.compiler.name == "nvhpc":
+        elif self.pkg.compiler.name == "nvhpc":
             env.set("ESMF_COMPILER", "nvhpc")
-        elif self.compiler.name == "cce":
+        elif self.pkg.compiler.name == "cce":
             env.set("ESMF_COMPILER", "cce")
-        elif self.compiler.name == "aocc":
+        elif self.pkg.compiler.name == "aocc":
             env.set("ESMF_COMPILER", "aocc")
         else:
             msg = "The compiler you are building with, "
             msg += '"{0}", is not supported by ESMF.'
-            raise InstallError(msg.format(self.compiler.name))
+            raise InstallError(msg.format(self.pkg.compiler.name))
 
         if "+mpi" in spec:
             env.set("ESMF_CXX", spec["mpi"].mpicxx)
@@ -269,7 +310,7 @@ def setup_build_environment(self, env):
             env.set("ESMF_BOPT", "O")
 
         if (
-            self.compiler.name in ["gcc", "clang", "apple-clang"]
+            self.pkg.compiler.name in ["gcc", "clang", "apple-clang"]
             and gfortran_major_version >= 10
             and (self.spec.satisfies("@:8.2.99") or self.spec.satisfies("@8.3.0b09"))
         ):
@@ -281,7 +322,7 @@ def setup_build_environment(self, env):
 
         # ESMF_OS must be set for Cray systems
         # But spack no longer gives arch == cray
-        if self.compiler.name == "cce" or "^cray-mpich" in self.spec:
+        if self.pkg.compiler.name == "cce" or "^cray-mpich" in self.spec:
             env.set("ESMF_OS", "Unicos")
 
         # Allow override of ESMF_OS:
@@ -434,5 +475,10 @@ def check(self):
     def setup_dependent_build_environment(self, env, dependent_spec):
         env.set("ESMFMKFILE", os.path.join(self.prefix.lib, "esmf.mk"))
 
-    def setup_run_environment(self, env):
-        env.set("ESMFMKFILE", os.path.join(self.prefix.lib, "esmf.mk"))
+    def install(self, pkg, spec, prefix):
+        make("install")
+
+        if "+python" in spec:
+            # build the python library
+            python_builder = PythonPipBuilder(pkg)
+            python_builder.install(pkg, spec, prefix)