squash: python_mumps recipe

Author: williampiat3

repos/spack_repo/builtin/packages/mumps/package.py

@@ -65,6 +65,7 @@ class Mumps(Package):
         description="Allow BLAS calls in OpenMP regions "
         + "(warning: might not be supported by all multithread BLAS)",
     )
+    variant("pkgconfig", default=False, description="Create unofficial pkgconfig files")
 
     depends_on("c", type="build")  # generated
     depends_on("fortran", type="build")  # generated
@@ -174,7 +175,9 @@ def write_makefile_inc(self):
             )
 
             orderings.append("-Dmetis")
-
+        if "+pkgconfig" in self.spec:
+            # Keeping orderings in case we have to create pkg_config files
+            self.orderings = orderings
         makefile_conf.append("ORDERINGSF = %s" % (" ".join(orderings)))
 
         # Determine which compiler suite we are using
@@ -433,6 +436,52 @@ def install(self, spec, prefix):
                         zsimpletest = Executable("./zsimpletest")
                         zsimpletest(input="input_simpletest_cmplx")
 
+    @run_after("install", when="+pkgconfig")
+    def create_pkgconfig(self):
+        """Create unofficial pkgconfig files for mumps libraries"""
+        libdir = join_path(self.prefix, "lib")
+        pkg_path = join_path(libdir, "pkgconfig")
+        mkdirp(pkg_path)
+        precision_desc = {
+            "s": "single",
+            "d": "double",
+            "c": "complex single",
+            "z": "complex double",
+        }
+        orderings = [ordering[2:] for ordering in self.orderings]
+        if len(orderings) > 1:
+            ord_desc = "with the following orderings available: "
+            ord_desc += ", ".join(orderings[:-1])
+            ord_desc += f" and {orderings[-1]}"
+        else:
+            ord_desc = f"with the {orderings[0]} ordering available"
+
+        if "+mpi" in self.spec:
+            parallel_desc = "parallel"
+        else:
+            parallel_desc = "sequential"
+        for char in "zscd":
+            if (
+                ("+float" in self.spec and char == "s")
+                or ("+double" in self.spec and char == "d")
+                or ("+complex" in self.spec and "+float" in self.spec and char == "c")
+                or ("+complex" in self.spec and "+double" in self.spec and char == "z")
+            ):
+                with open(join_path(pkg_path, f"{char}mumps.pc"), "w") as f:
+                    f.write(
+                        f"""prefix={self.prefix}
+                exec_prefix=${{prefix}}
+                includedir=${{prefix}}/include
+                libdir=${{exec_prefix}}/lib
+
+                Name: {char}mumps
+                Description: The {parallel_desc} {precision_desc[char]} MUMPS library {ord_desc}
+                Version: {self.version}
+                Cflags: -I${{includedir}}
+                Libs: -L${{libdir}} -l{char}mumps
+                """
+                    )
+
     @property
     def libs(self):
         component_libs = ["*mumps", "mumps_common", "pord"]

repos/spack_repo/builtin/packages/py_python_mumps/package.py

@@ -0,0 +1,57 @@
+import os
+
+from spack_repo.builtin.build_systems.meson import MesonBuilder
+from spack_repo.builtin.build_systems.python import PythonPackage
+
+from spack.package import *
+
+
+class PyPythonMumps(PythonPackage):
+    """Python wrapper for the MUMPS solver (python_mumps)."""
+
+    homepage = "https://gitlab.kwant-project.org/kwant/python-mumps"
+    url = "https://pypi.org/packages/source/p/python-mumps/python_mumps-0.0.6.tar.gz"
+
+    maintainers = ["williampiat3"]
+
+    version("0.0.6", sha256="58c33104f77c448e127e9e6da316f71dfb1a17719ecf022634669d513306b1fa")
+
+    variant("mpi", default=True, description="Whether to have MPI support on python-mumps or not")
+
+    # build dependencies
+    with default_args(type="build"):
+        depends_on("meson")
+        depends_on("ninja")
+        depends_on("py-meson-python")
+        depends_on("py-setuptools")
+        depends_on("py-setuptools-scm")
+        depends_on("py-cython")
+
+    # Python dependencies
+    with default_args(type=("build", "run")):
+        depends_on("py-numpy")
+        depends_on("py-mpi4py", when="+mpi")
+        depends_on("py-scipy")
+
+    # Optional/test deps
+    depends_on("py-pytest", type="test")
+
+    # External solver
+    depends_on("mumps+float+complex+double+metis+scotch+pkgconfig", when="+mpi")
+    depends_on("mumps~mpi+float+complex+double+metis+scotch+pkgconfig", when="~mpi")
+
+    patch("patch_meson_build.patch")
+
+    @run_before("install")
+    def setup_meson(self) -> None:
+        """Running meson setup before building the package"""
+        # Building with meson
+        options = []
+        if self.spec["meson"].satisfies("@0.64:"):
+            options.append("setup")
+        options.append(os.path.abspath(self.stage.source_path))
+        options += MesonBuilder.std_args(self)
+        builddir = "builddir"
+        options.append(builddir + "/")
+        with working_dir(join_path(self.build_directory, builddir), create=True):
+            self.module.meson(*options)

repos/spack_repo/builtin/packages/py_python_mumps/patch_meson_build.patch

@@ -0,0 +1,21 @@
+diff --git a/meson.build b/meson.build
+index 67c5ea0..1ee00fd 100644
+--- a/meson.build
++++ b/meson.build
+@@ -19,13 +19,15 @@ fs = import('fs')
+ # Declare NumPy via meson's dependency() (no explicit method), and add
+ # the NPY_NO_DEPRECATED_API compile flag.
+ numpy_nodepr_api = ['-DNPY_NO_DEPRECATED_API=NPY_1_9_API_VERSION']
+-np_dep_base = dependency('numpy')
++np_dep_base = dependency('numpy', version : '>=2')
+ np_dep = declare_dependency(dependencies: [np_dep_base], compile_args: numpy_nodepr_api)
+ 
+ # Declare MUMPS dependencies using meson's dependency() resolution.
+ # Fail early if a named dependency is not available.
+ mumps_names = get_option('mumps_names')
+ mumps_deps = []
++omp = dependency('openmp')
++mumps_deps += omp
+ foreach mumps_name : mumps_names
+     # 1) Try the package as given
+     pkg = dependency(mumps_name, required: false)