Add hypredrive support

.github/workflows/docker_build_tpls.yml

@@ -43,6 +43,13 @@ jobs:
             TPL_DOCKERFILE: docker/tpl-ubuntu-gcc.Dockerfile
             DOCKER_COMPILER_BUILD_ARG: "--build-arg GCC_MAJOR_VERSION=12"
             RUNS_ON: ubuntu-latest
+          - name: Ubuntu (22.04, gcc 12.3.0, open-mpi 4.1.2, +hypredrive)
+            DOCKER_ROOT_IMAGE: ubuntu:22.04
+            DOCKER_REPOSITORY: geosx/ubuntu22.04-gcc12-hypredrive
+            TPL_DOCKERFILE: docker/tpl-ubuntu-gcc.Dockerfile
+            DOCKER_COMPILER_BUILD_ARG: "--build-arg GCC_MAJOR_VERSION=12"
+            SPEC: "~pygeosx +docs +hypredrive %gcc-12"
+            RUNS_ON: ubuntu-latest
           - name: Ubuntu (22.04, clang 15.0.7 + gcc 11.4.0, open-mpi 4.1.2)
             DOCKER_ROOT_IMAGE: ubuntu:22.04
             DOCKER_REPOSITORY: geosx/ubuntu22.04-clang15

docker/rocky-spack.yaml

@@ -44,6 +44,8 @@ spack:
   packages:
     all:
       target: [x86_64]
+      providers:
+        zlib-api: [zlib]
 
     mpi:
       require:
@@ -150,3 +152,8 @@ spack:
       externals:
       - spec: [email protected]
         prefix: /usr
+    zlib:
+      buildable: false
+      externals:
+      - spec: [email protected]
+        prefix: /usr

docker/spack.yaml

@@ -89,6 +89,10 @@ spack:
       require:
       - [email protected]
 
+    zlib-api:
+      require:
+      - zlib
+
     blas:
       require:
       - "netlib-lapack"

docker/tpl-rockylinux-clang-cuda-12.Dockerfile

@@ -42,6 +42,7 @@ RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
 FROM tpl_toolchain_intersect_geosx_toolchain AS tpl_toolchain
 ARG SRC_DIR
 ARG BLD_DIR
+ARG SPEC
 
 RUN dnf -y install \
         tbb-devel \
@@ -79,9 +80,11 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
 # Create symlinks to blas/lapack libraries
      ln -s /usr/lib64/libblas.so.3 /usr/lib64/libblas.so && \
      ln -s /usr/lib64/liblapack.so.3 /usr/lib64/liblapack.so && \
+     GEOSX_SPEC="${SPEC}" && \
+     if [ -z "${GEOSX_SPEC}" ] || [ "${GEOSX_SPEC}" = "undefined" ]; then GEOSX_SPEC="+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-17 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi"; fi && \
      scl enable gcc-toolset-13 ' \
      ./scripts/uberenv/uberenv.py \
-       --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-17 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \
+       --spec "'"${GEOSX_SPEC}"'" \
        --spack-env-file=${SRC_DIR}/docker/rocky-spack.yaml \
        --project-json=.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \
@@ -126,4 +129,4 @@ RUN dnf clean all && \
 
 # Run the installation script
 RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-sccache.sh
-ENV SCCACHE=/opt/sccache/bin/sccache
+ENV SCCACHE=/opt/sccache/bin/sccache

docker/tpl-rockylinux-gcc-cuda-12.Dockerfile

@@ -41,6 +41,7 @@ RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
 FROM tpl_toolchain_intersect_geosx_toolchain AS tpl_toolchain
 ARG SRC_DIR
 ARG BLD_DIR
+ARG SPEC
 
 # Install additional required packages
 RUN dnf clean all && \
@@ -66,8 +67,10 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
 # Create symlinks to blas/lapack libraries
      ln -s /usr/lib64/libblas.so.3 /usr/lib64/libblas.so && \
      ln -s /usr/lib64/liblapack.so.3 /usr/lib64/liblapack.so && \
+     GEOSX_SPEC="${SPEC}" && \
+     if [ -z "${GEOSX_SPEC}" ] || [ "${GEOSX_SPEC}" = "undefined" ]; then GEOSX_SPEC="+cuda~uncrustify~openmp~pygeosx lai=hypre cuda_arch=86 %gcc-13 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi"; fi && \
      ./scripts/uberenv/uberenv.py \
-       --spec "+cuda~uncrustify~openmp~pygeosx lai=hypre cuda_arch=86 %gcc-13 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \
+       --spec "${GEOSX_SPEC}" \
        --spack-env-file=${SRC_DIR}/docker/rocky-spack.yaml \
        --project-json=.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \

docker/tpl-ubuntu-clang-cuda.Dockerfile

@@ -47,6 +47,7 @@ RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
 FROM tpl_toolchain_intersect_geosx_toolchain AS tpl_toolchain
 ARG SRC_DIR
 ARG BLD_DIR
+ARG SPEC
 
 RUN apt-get install -y --no-install-recommends \
     libtbb-dev \
@@ -61,9 +62,11 @@ RUN apt-get install -y --no-install-recommends \
 # -k flag is to ignore SSL errors
 RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
      mkdir -p ${GEOSX_TPL_DIR} && \
+     GEOSX_SPEC="${SPEC}" && \
+     if [ -z "${GEOSX_SPEC}" ] || [ "${GEOSX_SPEC}" = "undefined" ]; then GEOSX_SPEC="+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-10 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi"; fi && \
      ./scripts/uberenv/uberenv.py \
-       --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-10  ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \
-      --spack-env-file=${SRC_DIR}/docker/ubuntu20-clang-cuda-spack.yaml \
+       --spec "${GEOSX_SPEC}" \
+       --spack-env-file=${SRC_DIR}/docker/ubuntu20-clang-cuda-spack.yaml \
        --project-json=.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \
        -k && \

docker/tpl-ubuntu-clang.Dockerfile

@@ -53,6 +53,7 @@ RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
 FROM tpl_toolchain_intersect_geosx_toolchain AS tpl_toolchain
 ARG SRC_DIR
 ARG BLD_DIR
+ARG SPEC
 
 ARG GCC_MAJOR_VERSION
 
@@ -87,8 +88,10 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
      mkdir -p ${GEOSX_TPL_DIR} && \
 # Create symlinks to g++ libraries
      ln -s /usr/bin/g++-${GCC_MAJOR_VERSION} /usr/bin/g++ && \
+     GEOSX_SPEC="${SPEC}" && \
+     if [ -z "${GEOSX_SPEC}" ] || [ "${GEOSX_SPEC}" = "undefined" ]; then GEOSX_SPEC="~shared~openmp+docs %clang-${CLANG_MAJOR_VERSION} ^caliper~gotcha~sampler~libunwind~libdw~papi"; fi && \
      ./scripts/uberenv/uberenv.py \
-       --spec "~shared~openmp+docs %clang-${CLANG_MAJOR_VERSION} ^caliper~gotcha~sampler~libunwind~libdw~papi" \
+       --spec "${GEOSX_SPEC}" \
        --spack-env-file=${SRC_DIR}/docker/spack.yaml \
        --project-json=.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \

docker/tpl-ubuntu-gcc.Dockerfile

@@ -88,6 +88,7 @@ ENV OMPI_CC=$CC \
 FROM tpl_toolchain_intersect_geosx_toolchain AS tpl_toolchain
 ARG SRC_DIR
 ARG BLD_DIR
+ARG SPEC
 
 # This is the version from the `docker build` command line.
 # It is repeated because docker forgets about the ARGs after FROM statements.
@@ -110,8 +111,10 @@ RUN apt-get install -y --no-install-recommends \
 # -k flag is to ignore SSL errors
 RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
      mkdir -p ${GEOSX_TPL_DIR} && \
+     GEOSX_SPEC="${SPEC}" && \
+     if [ -z "${GEOSX_SPEC}" ] || [ "${GEOSX_SPEC}" = "undefined" ]; then GEOSX_SPEC="~pygeosx +docs %gcc-${GCC_MAJOR_VERSION}"; fi && \
      ./scripts/uberenv/uberenv.py \
-       --spec "~pygeosx +docs %gcc-${GCC_MAJOR_VERSION}" \
+       --spec "${GEOSX_SPEC}" \
        --spack-env-file=${SRC_DIR}/docker/spack.yaml \
        --project-json=${SRC_DIR}/.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \

docker/ubuntu20-clang-cuda-spack.yaml

@@ -38,6 +38,10 @@ spack:
       require:
       - [email protected]
 
+    zlib-api:
+      require:
+      - zlib
+
     blas:
       require:
       - "netlib-lapack"
@@ -161,4 +165,3 @@ spack:
       externals:
       - spec: [email protected]
         prefix: /usr
-

scripts/spack_configs/blueos_3_ppc64le_ib_p9/spack.yaml

@@ -86,6 +86,11 @@ spack:
     mpi:
       require:
       - spectrum-mpi
+
+    zlib-api:
+      require:
+      - zlib
+
     blas:
       require:
       - essl

scripts/spack_configs/darwin/packages.yaml

@@ -6,6 +6,7 @@ packages:
       mpi: [openmpi]
       blas: [netlib-lapack]
       lapack: [netlib-lapack]
+      zlib-api: [zlib]
 
   openmpi:
     buildable: False

scripts/spack_configs/macOS/spack.yaml

@@ -55,6 +55,7 @@ spack:
         mpi: [openmpi]
         blas: [openblas]
         lapack: [openblas]
+        zlib-api: [zlib]
       variants: "~openmp"
 
     openblas:

scripts/spack_configs/pangea-4/spack.yaml

@@ -53,6 +53,11 @@ spack:
       require:
       - hpcx-mpi
       buildable: false
+
+    zlib-api:
+      require:
+      - zlib
+
     blas:
       require:
       - "intel-oneapi-mkl"

scripts/spack_configs/summit/packages.yaml

@@ -6,6 +6,7 @@ packages:
       mpi: [spectrum-mpi]
       blas: [openblas]
       lapack: [openblas]
+      zlib-api: [zlib]
 
   openblas:
     buildable: False

scripts/spack_configs/summit_python/packages.yaml

@@ -6,6 +6,7 @@ packages:
       mpi: [spectrum-mpi]
       blas: [openblas]
       lapack: [openblas]
+      zlib-api: [zlib]
 
   openblas:
     buildable: False

scripts/spack_configs/versions.yaml

@@ -18,6 +18,10 @@ packages:
   hypre:
     require: "@git.8b0093306228fef1b92384d9face7fbe5a63b460=master"
 
+  # master - 03/28/26
+  hypredrive:
+    require: "@git.d062c48cc8d26a9bee92f33f3c588d071c230d30=master"
+
   # master - 04/12/20
   uncrustify:
     require: "@git.401a4098bce9dcc47e024987403f2d59d9ba7bd2"

scripts/spack_packages/packages/geosx/package.py

@@ -66,6 +66,7 @@ class Geosx(CMakePackage, CudaPackage, ROCmPackage):
     variant('vtk', default=True, description='Build VTK support.')
     variant('trilinos', default=True, description='Build Trilinos support.')
     variant('hypre', default=True, description='Build HYPRE support.')
+    variant('hypredrive', default=False, description='Build hypredrive support.')
     variant('petsc', default=False, description='Build PETSc support.')
     variant('scotch', default=True, description='Build Scotch support.')
     variant('uncrustify', default=True, description='Build Uncrustify support.')
@@ -188,6 +189,11 @@ class Geosx(CMakePackage, CudaPackage, ROCmPackage):
         depends_on("hypre +pic", when="~shared")
         depends_on("hypre +shared", when="+shared")
 
+    with when("+hypredrive"):
+        depends_on("hypredrive +pic", when="~shared")
+        depends_on("hypredrive +shared", when="+shared")
+        depends_on("hypredrive +caliper", when="+caliper")
+
     depends_on('[email protected]~hdf5~hypre+int64', when='+petsc')
     depends_on('petsc+ptscotch', when='+petsc+scotch')
 
@@ -579,6 +585,7 @@ def geos_hostconfig(self, spec, prefix, py_site_pkgs_dir=None):
                 ('suite-sparse', 'SUITESPARSE', True),
                 ('trilinos', 'TRILINOS', '+trilinos' in spec),
                 ('hypre', 'HYPRE', '+hypre' in spec),
+                ('hypredrive', 'HYPREDRV', '+hypredrive' in spec),
                 ('petsc', 'PETSC', '+petsc' in spec)
             )
             # yapf: enable
@@ -588,6 +595,8 @@ def geos_hostconfig(self, spec, prefix, py_site_pkgs_dir=None):
             cfg.write('#{0}\n\n'.format('-' * 80))
             for tpl, cmake_name, enable in math_tpls:
                 if enable:
+                    if tpl == 'hypredrive':
+                        cfg.write(cmake_cache_option('ENABLE_HYPREDRV', True))
                     cfg.write(cmake_cache_entry('{}_DIR'.format(cmake_name), spec[tpl].prefix))
 
                     if tpl == 'hypre' and '+cuda' in spec:

scripts/spack_packages/packages/hypredrive/package.py

@@ -0,0 +1,105 @@
+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack_repo.builtin.build_systems.cmake import CMakePackage
+
+from spack.package import *
+
+
+class Hypredrive(CMakePackage):
+    """Hypredrive is a high-level interface to the hypre library for solving
+    sparse linear systems of equations. It provides a command-line driver
+    (hypredrive-cli) accepting YAML input files and a C API library
+    (libHYPREDRV)."""
+
+    homepage = "https://hypredrive.readthedocs.io"
+    url = "https://github.com/hypre-space/hypredrive/archive/v0.1.0.tar.gz"
+    git = "https://github.com/hypre-space/hypredrive.git"
+
+    maintainers("victorapm")
+
+    license("MIT", checked_by="victorapm")
+
+    version("develop", branch="master")
+    version("0.2.0", sha256="2fe6c5b2779de41fbd294cb4647c7bbd210ec95934639117e56a790e56c32e41")
+    version("0.1.0", sha256="39db73b75e37457035c64b4c8831abe716bf2f596c4ca79a32293d9bd51ca8d6")
+
+    variant("shared", default=False, description="Build shared libraries")
+    variant("pic", default=False, description="Build position independent code")
+    variant("examples", default=False, description="Build and install example programs")
+    variant("hwloc", default=False, description="Enable hwloc support for system topology")
+    variant("caliper", default=False, description="Enable Caliper performance profiling")
+    variant("compression", default=False, description="Enable lossless compression backends")
+
+    depends_on("c", type="build")
+    depends_on("cxx", type="build", when="+caliper")
+
+    depends_on("[email protected]:", type="build")
+    depends_on("mpi")
+    depends_on("[email protected]: +mpi")
+    depends_on("hwloc", when="+hwloc")
+    depends_on("caliper", when="+caliper")
+    depends_on("zlib-api", when="+compression")
+    depends_on("zstd", when="+compression")
+    depends_on("lz4", when="+compression")
+
+    def cmake_args(self):
+        spec = self.spec
+        from_variant = self.define_from_variant
+
+        args = [
+            from_variant("BUILD_SHARED_LIBS", "shared"),
+            from_variant("HYPREDRV_ENABLE_EXAMPLES", "examples"),
+            from_variant("HYPREDRV_ENABLE_HWLOC", "hwloc"),
+            from_variant("HYPREDRV_ENABLE_CALIPER", "caliper"),
+            from_variant("HYPREDRV_ENABLE_COMPRESSION", "compression"),
+            from_variant("CMAKE_POSITION_INDEPENDENT_CODE", "pic"),
+            self.define("HYPRE_ROOT", spec["hypre"].prefix),
+            self.define("HYPREDRV_ENABLE_TESTING", self.run_tests),
+            self.define("HYPREDRV_ENABLE_COVERAGE", False),
+            self.define("HYPREDRV_ENABLE_ANALYSIS", False),
+            self.define("HYPREDRV_ENABLE_DOCS", False),
+        ]
+
+        return args
+
+    @property
+    def headers(self):
+        """Export the main HYPREDRV header.
+        Sample usage: spec['hypredrive'].headers.cpp_flags
+        """
+        hdrs = find_headers("HYPREDRV", self.prefix.include, recursive=False)
+        return hdrs or None
+
+    @property
+    def libs(self):
+        """Export the HYPREDRV library.
+        Sample usage: spec['hypredrive'].libs.ld_flags
+        """
+        is_shared = self.spec.satisfies("+shared")
+        libs = find_libraries("libHYPREDRV", root=self.prefix, shared=is_shared, recursive=True)
+        return libs or None
+
+    def test_installed_binary(self):
+        """verify hypredrive-cli binary exists"""
+        hypredrive_cli = which(self.prefix.bin.join("hypredrive-cli"))
+        if hypredrive_cli is None:
+            raise SkipTest("hypredrive-cli not found in install prefix")
+
+    def test_installed_library(self):
+        """verify HYPREDRV library is findable"""
+        if not self.libs:
+            raise RuntimeError("Could not find libHYPREDRV in install prefix")
+
+    def test_laplacian_example(self):
+        """run the laplacian example (requires +examples)"""
+        if not self.spec.satisfies("+examples"):
+            raise SkipTest("Package must be installed with +examples")
+
+        laplacian = which(self.prefix.bin.laplacian)
+        if laplacian is None:
+            raise SkipTest("laplacian example binary not found")
+
+        mpirun = which("mpirun", "mpiexec", required=True)
+        mpirun("-np", "1", laplacian, "-n", "6", "6", "6", "-s", "7", "-ns", "1", "-v", "1")