New compiler added to Ursa: nvhpc@26.9 with cuda@13.3 support

configs/sites/tier1/ursa/packages.yaml

@@ -14,6 +14,11 @@ packages:
     - +kokkos
     - +arborx
 
+  # To avoid duplicate packages - py-arch and py-statsmodels need py-setuptools-scm@8
+  py-setuptools-scm:
+    require:
+    - '@8.2.1'
+
   # GPUs on ursa are H100
   # add: '+cuda cuda_arch=90' to kokkos / kokkos-kernels / arborx if building with CUDA support
   # add: '+wrapper' to kokkos
@@ -60,13 +65,6 @@ packages:
     externals:
     - spec: doxygen@1.11.0+graphviz~mscgen
       prefix: /apps/spack-2024-12/linux-rocky9-x86_64/gcc-11.4.1/doxygen-1.11.0-dbhxblaakcrhvmlrbgixvapnagjb2vkx
-  ecflow:
-    buildable: False
-    externals:
-    - spec: ecflow@5.11.4
-      prefix: /apps/spack-2024-12/linux-rocky9-x86_64/gcc-11.4.1/ecflow-5.11.4-a5ggcmayx6yesbqgbacifgvkstamchoy
-      modules:
-      - ecflow/5.11.4
   file:
     externals:
     - spec: file@5.39

configs/sites/tier1/ursa/packages_nvhpc-26.9.yaml

@@ -0,0 +1,207 @@
+packages:
+  all:
+    require:
+    - any_of: ['%nvhpc@=26.9']
+      when: '%nvhpc'
+    - any_of: ['%gcc@=11.5.0']
+      when: '%gcc'
+
+  mpi:
+    buildable: false
+    require:
+    - 'openmpi@5.0.10rc2'
+
+  nvhpc:
+    buildable: false
+    externals:
+    - spec: nvhpc@26.9+blas+lapack~mpi
+      prefix: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi
+      modules:
+      - spack-apps/2026.10
+      - nvhpc/26.9
+      extra_attributes:
+        compilers:
+          c: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/compilers/bin/nvc
+          cxx: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/compilers/bin/nvc++
+          fortran: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/compilers/bin/nvfortran
+
+  openmpi:
+    buildable: false
+    require::
+    - '+internal-hwloc'
+    externals:
+    - spec: openmpi@5.0.10rc2 +internal-hwloc +internal-pmix +internal-libevent +two_level_namespace
+      prefix: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/comm_libs/13.3/hpcx/hpcx-2.50/ompi5
+      modules:
+      - spack-apps/2026.10
+      - nvhpc/26.9
+
+  # System gcc (no module needed, nvhpc module stays loaded); also the CUDA 13.3 host compiler.
+  gcc:
+    buildable: false
+    require:
+    - '@11.5.0'
+    externals:
+    - spec: gcc@11.5.0 languages:='c,c++,fortran'
+      prefix: /usr
+      extra_attributes:
+        compilers:
+          c: /usr/bin/gcc
+          cxx: /usr/bin/g++
+          fortran: /usr/bin/gfortran
+
+  cuda:
+    buildable: false
+    externals:
+    - spec: cuda@13.3
+      prefix: /apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/cuda/13.3
+      modules:
+      - spack-apps/2026.10
+      - nvhpc/26.9
+
+  # libsm and others include <uuid/uuid.h>, which ossp-uuid does not provide
+  uuid:
+    require:
+    - util-linux-uuid
+
+  # Ursa GPUs H100: CUDA build for H100 (cuda_arch=90)
+  kokkos:
+    require:
+    - '+cuda cuda_arch=90'
+    - '+wrapper'
+  kokkos-kernels:
+    require:
+    - '+cuda cuda_arch=90'
+  arborx:
+    require:
+    - '+cuda cuda_arch=90'
+
+  # Fortran flags for nvfortran
+  # gfsio, landsfcutil, sfcio, sigio: free-form sources with .f suffix;
+  # upstream CMake sets free-form/big-endian flags only for Intel/GNU
+  gfsio:
+    require:
+    - "fflags='-Mfree -byteswapio'"
+  # hdf5 2.x hl/fortran targets miss the MPI Fortran module dir (HPC-X keeps mpi_f08.mod in lib/)
+  hdf5:
+    require:
+    - "fflags='-I/apps/spack-2026-10/linux-x86_64/nvhpc-26.9-5ltv4xi/Linux_x86_64/26.9/comm_libs/13.3/hpcx/hpcx-2.50/ompi5/lib'"
+  # landsfcutil_d is not built with -r8 under NVHPC (CMake sets it for Intel only); needs a patch
+  landsfcutil:
+    require:
+    - "fflags='-Mfree'"
+  sfcio:
+    require:
+    - "fflags='-Mfree -byteswapio'"
+  sigio:
+    require:
+    - "fflags='-Mfree -byteswapio'"
+
+  # Packages that nvc/nvc++ cannot build: use gcc
+  # nvc rejects GNU computed goto and inline asm .previous directives
+  alsa-lib:
+    require:
+    - '%c=gcc'
+  # Build with gcc; ecflow+ui (boost, qt) is C++ heavy
+  ecflow:
+    require:
+    - '%c,cxx=gcc'
+  # nvc rejects -Wold-style-definition
+  elfutils:
+    require:
+    - '%c=gcc'
+  # GNU-specific inline assembly; depends on alsa-lib
+  ffmpeg:
+    require:
+    - '%c,cxx=gcc'
+  # nvc++ rejects GNU warning flags (-Wold-style-cast, -Wnon-virtual-dtor)
+  flatbuffers:
+    require:
+    - '%cxx=gcc'
+  # nvc rejects -Wmissing-declarations
+  fontconfig:
+    require:
+    - '%c=gcc'
+  # nvc rejects -ansi
+  fribidi:
+    require:
+    - '%c=gcc'
+  # nvc++ cannot parse libertiff templates ("type name is not allowed")
+  gdal:
+    require:
+    - '%c,cxx=gcc'
+  # nvhpc-export-symbols.patch does not apply to gettext@1.0
+  gettext:
+    require:
+    - '%c,cxx=gcc'
+  # meson does not add a PIC flag for nvc ("Can't link non-PIC static library")
+  glib:
+    require:
+    - '%c,cxx=gcc'
+  glib-bootstrap:
+    require:
+    - '%c,cxx=gcc'
+  # nvc rejects gnulib's GCC warning flags (-Wimplicit-fallthrough, -Wno-sign-conversion, ...)
+  gperf:
+    require:
+    - '%c,cxx=gcc'
+  # nvc rejects -nodefaultlibs when linking libicudata
+  icu4c:
+    require:
+    - '%c,cxx=gcc'
+  # nvc rejects -Wno-psabi; build also parses GCC preprocessor output (gpg-error.def)
+  libgpg-error:
+    require:
+    - '%c=gcc'
+  # nvc++ rejects GNU alias attribute in pcrecpp.cc
+  pcre:
+    require:
+    - '%c,cxx=gcc'
+  # meson does not add a PIC flag for nvc ("Can't link non-PIC static library")
+  pixman:
+    require:
+    - '%c=gcc'
+  # nvc++ 26.9 crashes: "LLVM ERROR: Broken module found"
+  proj:
+    require:
+    - '%c,cxx=gcc'
+  # Python is built with gcc; pip passes its CFLAGS (-fno-strict-overflow) to nvc
+  py-awscrt:
+    require:
+    - '%c,cxx=gcc'
+  py-cffi:
+    require:
+    - '%c=gcc'
+  py-crc32c:
+    require:
+    - '%c=gcc'
+  py-kiwisolver:
+    require:
+    - '%c,cxx=gcc'
+  py-lxml:
+    require:
+    - '%c=gcc'
+  py-msgpack:
+    require:
+    - '%c=gcc'
+  py-pillow:
+    require:
+    - '%c=gcc'
+  py-psutil:
+    require:
+    - '%c=gcc'
+  py-ruamel-yaml-clib:
+    require:
+    - '%c=gcc'
+  # util-linux-uuid is C only; '::' replaces common's '%c,cxx=gcc', which cannot be satisfied
+  util-linux-uuid:
+    require::
+    - '%c=gcc'
+  # nvc++ rejects -Weffc++ and -pedantic-errors
+  yaml-cpp:
+    require:
+    - '%c,cxx=gcc'
+  # zlib has its own require:: in packages.yaml, bypassing the 'all' rule
+  zlib:
+    require:
+    - '%c=gcc'

util/epic/batch_install.sh

@@ -34,13 +34,15 @@ usage() {
   echo "      if not set, the default location is used"
   echo "  -c  Provide location of build caches as BUILDCACHE_DIR;"
   echo "      if not set, authoritative build caches are used"
-  echo "  -b  Set compiler build option, can be 'gcc', 'oneapi', or 'all' - the default;"
+  echo "  -b  Set compiler build option, can be 'gcc', 'oneapi', 'nvhpc', or 'all' - the default;"
+  echo "      'all' does not include optional compilers (e.g. nvhpc on ursa), select these explicitly"
   echo "  -u  Flag to update bootstrap and source caches;"
   echo "  -e  Continue builds/install in existing environments;"
   echo "      by default, exit with an error if already exist"
   echo "  -s  Submit 'spack install' to batch scheduler"
   echo "  -t  Run tests for specific thirdparty dependencies;"
   echo "      these are currently hardcoded in batch_install.sh"
+  echo "  -v  Verbose output, print commands as they are executed (set -x)"
   echo "  -h  display this help"
   echo
 }
@@ -72,22 +74,32 @@ do
     t)
       SPACK_STACK_RUN_TESTS="true"
       ;;
+    v)
+      SPACK_STACK_VERBOSE="true"
+      ;;
     *)
       usage
       exit 1
       ;;
   esac
 done
 
+SPACK_STACK_COMPILER_BUILD_OPT=${SPACK_STACK_COMPILER_BUILD_OPT:-all}
+
 echo "INFO: $0 options:"
 echo "  SPACK_STACK_MODE:                            ${SPACK_STACK_MODE:-not set}"
 echo "  SPACK_STACK_ENVIRONMENT_DIRS:                ${SPACK_STACK_ENVIRONMENT_DIRS:-${SPACK_STACK_DIR}/envs}"
 echo "  SPACK_STACK_BUILDCACHE_DIR:                  ${SPACK_STACK_BUILDCACHE_DIR:-use default caches}"
-echo "  SPACK_STACK_COMPILER_BUILD_OPT:              ${SPACK_STACK_COMPILER_BUILD_OPT-all}"
+echo "  SPACK_STACK_COMPILER_BUILD_OPT:              ${SPACK_STACK_COMPILER_BUILD_OPT}"
 echo "  SPACK_STACK_UPDATE_DEV_CACHES:               ${SPACK_STACK_UPDATE_DEV_CACHES:-false}"
 echo "  SPACK_STACK_IGNORE_ENV_EXIST:                ${SPACK_STACK_IGNORE_ENV_EXIST:-false}"
 echo "  SPACK_STACK_SUBMIT_TO_SCHEDULER:             ${SPACK_STACK_SUBMIT_TO_SCHEDULER:-false}"
 echo "  SPACK_STACK_RUN_TESTS:                       ${SPACK_STACK_RUN_TESTS:-false}"
+echo "  SPACK_STACK_VERBOSE:                         ${SPACK_STACK_VERBOSE:-false}"
+
+if [[ ${SPACK_STACK_VERBOSE} == "true" ]]; then
+  set -x
+fi
 
 if [[ -z ${SPACK_STACK_MODE} ]]; then
   echo "ERROR, SPACK_STACK_MODE not defined. Provide -m MODE as argument"
@@ -107,11 +119,11 @@ fi
 
 # Check for valid compiler build options
 case "${SPACK_STACK_COMPILER_BUILD_OPT}" in 
-  all|gcc|oneapi)
+  all|gcc|oneapi|nvhpc)
     echo "Valid compiler build option: ${SPACK_STACK_COMPILER_BUILD_OPT}"
     ;;
   *)
-    echo "ERROR, invalid compiler build option: ${SPACK_STACK_COMPILER_BUILD_OPT}. Allowed values are: all, gcc, oneapi"
+    echo "ERROR, invalid compiler build option: ${SPACK_STACK_COMPILER_BUILD_OPT}. Allowed values are: all, gcc, oneapi, nvhpc"
     exit 1
     ;;
 esac
@@ -157,6 +169,8 @@ case ${SPACK_STACK_BATCH_HOST} in
     ;;
   ufe)    # ursa
     SPACK_STACK_BATCH_COMPILERS=("oneapi@=2025.3.1" "oneapi@=2025.3.1-hpcx" "gcc@=12.4.0")
+    # Built only when selected explicitly with -b nvhpc
+    SPACK_STACK_BATCH_OPTIONAL_COMPILERS=("nvhpc@=26.9")
     SPACK_STACK_BATCH_TEMPLATES=("unified-dev")
     SPACK_STACK_MODULE_CHOICE="lmod"
     SPACK_STACK_BOOTSTRAP_MIRROR="/contrib/spack-stack/bootstrap-mirror"
@@ -170,6 +184,23 @@ case ${SPACK_STACK_BATCH_HOST} in
     ;;
 esac
 
+# Optional compilers are only built when selected explicitly, not with 'all'
+if [[ ! "${SPACK_STACK_COMPILER_BUILD_OPT}" == "all" ]]; then
+  SPACK_STACK_BATCH_COMPILERS+=("${SPACK_STACK_BATCH_OPTIONAL_COMPILERS[@]}")
+fi
+
+# Check that at least one compiler on this host matches the compiler build option
+compiler_selected="false"
+for compiler in "${SPACK_STACK_BATCH_COMPILERS[@]}"; do
+  if [[ "${SPACK_STACK_COMPILER_BUILD_OPT}" == "all" || "${compiler%%@*}" == "${SPACK_STACK_COMPILER_BUILD_OPT}" ]]; then
+    compiler_selected="true"
+  fi
+done
+if [[ ! ${compiler_selected} == "true" ]]; then
+  echo "ERROR, no '${SPACK_STACK_COMPILER_BUILD_OPT}' compiler configured for host ${SPACK_STACK_BATCH_HOST}"
+  exit 1
+fi
+
 ##################################################################################################
 
 function fix_permissions() {
@@ -425,17 +456,15 @@ for compiler in "${SPACK_STACK_BATCH_COMPILERS[@]}"; do
   fi
 
   # Check compiler build argument to build the desired spack-stack
-  if [[ ${compiler} =~ "${SPACK_STACK_COMPILER_BUILD_OPT}" || "all" == "${SPACK_STACK_COMPILER_BUILD_OPT}" ]]; then
-    # Success, do nothing
-    :
-  else
+  compiler_name=$(echo ${compiler} | cut -d "@" -f 1)
+  compiler_version=$(echo ${compiler} | cut -d "=" -f 2)
+
+  # Check compiler build argument to build the desired spack-stack
+  if [[ ! "${SPACK_STACK_COMPILER_BUILD_OPT}" == "all" && ! "${compiler_name}" == "${SPACK_STACK_COMPILER_BUILD_OPT}" ]]; then
     # Compiler not selected, try next item
     continue
   fi
 
-  compiler_name=$(echo ${compiler} | cut -d "@" -f 1)
-  compiler_version=$(echo ${compiler} | cut -d "=" -f 2)
-
   for template in "${SPACK_STACK_BATCH_TEMPLATES[@]}"; do
 
     echo
@@ -539,6 +568,8 @@ for compiler in "${SPACK_STACK_BATCH_COMPILERS[@]}"; do
             ;;
           oneapi@=2025.3.1-hpcx)
             ;;
+          nvhpc@=26.9)
+            ;;
         esac
         ;;
       *)