Make GDASApp compiler with container

build.sh

@@ -78,7 +78,7 @@ while getopts "w:t:c:hvdfai" opt; do
 done
 
 case ${BUILD_TARGET} in
-  hera | orion | hercules | wcoss2 | noaacloud | gaeac6 | ursa )
+  hera | orion | hercules | wcoss2 | noaacloud | gaeac6 | ursa | container )
     echo "Building GDASApp on $BUILD_TARGET"
     source $dir_root/ush/module-setup.sh
     module use $dir_root/modulefiles

modulefiles/GDAS/container.intel.lua

@@ -0,0 +1,116 @@
+help([[
+Load environment for running the GDAS application with Intel compilers and MPI.
+]])
+
+local pkgName    = myModuleName()
+local pkgVersion = myModuleVersion()
+local pkgNameVer = myModuleFullName()
+
+prepend_path("MODULEPATH", "/opt/spack-stack/spack-stack-1.9.2/envs/unified-env/install/modulefiles/Core")
+
+stack_oneapi_ver=os.getenv("stack_oneapi_ver") or "2024.2.0"
+stack_impi_ver=os.getenv("stack_impi_ver") or "2021.13"
+
+load(pathJoin("stack-oneapi", stack_oneapi_ver))
+load(pathJoin("stack-intel-oneapi-mpi", stack_impi_ver))
+
+-- {["pkg-config"]      = "1.4.2"},
+-- {["openblas"]        = "0.3.24"},
+-- {["fftw"]            = "3.3.10"},
+-- {["wget"]            = "1.19.5"},
+
+local gdas_modules = {
+  {["cmake"]           = "3.27.9"},
+  {["jasper"]          = "2.0.32"},
+  {["gettext"]         = "0.22.5"},
+  {["curl"]            = "7.81.0"},
+  {["zlib"]            = "1.2.11"},
+  {["git"]             = "2.34.1"},
+  {["parallel-netcdf"] = "1.12.3"},
+  {["netcdf-c"]        = "4.9.2"},
+  {["hdf5"]            = "1.14.3"},
+  {["nccmp"]           = "1.9.0.1"},
+  {["netcdf-fortran"]  = "4.6.1"},
+  {["nco"]             = "5.2.4"},
+  {["parallelio"]      = "2.6.2"},
+  {["boost"]           = "1.84.0"},
+  {["bufr"]            = "12.1.0"},
+  {["git-lfs"]         = "3.0.2"},
+  {["ecbuild"]         = "3.7.2"},
+  {["openjpeg"]        = "2.3.1"},
+  {["eccodes"]         = "2.33.0"},
+  {["eigen"]           = "3.4.0"},
+  {["eckit"]           = "1.28.3"},
+  {["fckit"]           = "0.13.2"},
+  {["fiat"]            = "1.4.1"},
+  {["ectrans"]         = "1.5.0"},
+  {["fms"]             = "2024.02"},
+  {["atlas"]           = "0.40.0"},
+  {["sp"]              = "2.5.0"},
+  {["gsl-lite"]        = "0.37.0"},
+  {["libjpeg"]         = "2.1.0"},
+  {["krb5"]            = "1.15.1"},
+  {["libtirpc"]        = "1.3.3"},
+  {["hdf"]             = "4.2.15"},
+  {["jedi-cmake"]      = "1.4.0"},
+  {["libpng"]          = "1.6.37"},
+  {["libxt"]           = "1.3.0"},
+  {["libxmu"]          = "1.2.1"},
+  {["libxpm"]          = "4.11.0"},
+  {["libxaw"]          = "1.0.16"},
+  {["udunits"]         = "2.2.28"},
+  {["ncview"]          = "2.1.9"},
+  {["netcdf-cxx4"]     = "4.3.1"},
+  {["json"]            = "3.11.3"},
+  {["crtm"]            = "2.4.0.1"},
+  {["esmf"]            = "8.8.0"},
+  {["prod_util"]       = "2.1.1"},
+  {["py-jinja2"]       = "3.1.4"},
+  {["py-netcdf4"]      = "1.7.1.post2"},
+  {["py-pybind11"]     = "2.13.5"},
+  {["py-pycodestyle"]  = "2.11.0"},
+  {["py-pyyaml"]       = "6.0"},
+  {["py-scipy"]        = "1.14.1"},
+  {["py-xarray"]       = "2024.7.0"},
+  {["py-f90nml"]       = "1.4.3"},
+  {["py-pip"]          = "23.1.2"},
+}
+
+for i = 1, #gdas_modules do
+  for name, default_version in pairs(gdas_modules[i]) do
+    local env_version_name = string.gsub(name, "-", "_") .. "_ver"
+    load(pathJoin(name, os.getenv(env_version_name) or default_version))
+  end
+end
+
+setenv("CC","/opt/intel/oneapi/compiler/2024.2/bin/icx")
+setenv("CXX","/opt/intel/oneapi/compiler/2024.2/bin/icpx")
+setenv("FC","/opt/intel/oneapi/compiler/2024.2/bin/ifort")
+setenv("MPICC","mpiicx")
+setenv("MPICXX","mpiicpx")
+setenv("MPIF77","mpiifort")
+setenv("MPIF90","mpiifort")
+setenv("MPI_CC","mpiicx")
+setenv("MPI_CXX","mpiicpx")
+setenv("MPI_F77","mpiifort")
+setenv("MPI_F90","mpiifort")
+
+local mpiexec = '/opt/intel/oneapi/mpi/2021.13/bin/mpiexec'
+local mpinproc = '-n'
+setenv('MPIEXEC_EXEC', mpiexec)
+setenv('MPIEXEC_NPROC', mpinproc)
+
+-- for ursa
+setenv("CRTM_FIX","/scratch3/NCEPDEV/da/role.jedipara/GDASApp/fix/crtm/2.4.0")
+setenv("GDASAPP_TESTDATA","/scratch3/NCEPDEV/da/role.jedipara/GDASApp/testdata")
+setenv("GDASAPP_UNIT_TEST_DATA_PATH", "/scratch3/NCEPDEV/da/role.jedipara/GDASApp/unittestdata")
+
+-- for noaacloud (AWS)
+-- setenv("CRTM_FIX","/contrib/global-workflow-shared-data/GDASApp/fix/crtm/2.4.0")
+-- setenv("GDASAPP_TESTDATA","/contrib/global-workflow-shared-data/GDASApp/testdata")
+-- setenv("GDASAPP_UNIT_TEST_DATA_PATH", "/contrib/global-workflow-shared-data/GDASApp/unittestdata")
+
+whatis("Name: ".. pkgName)
+whatis("Version: ".. pkgVersion)
+whatis("Category: GDASApp")
+whatis("Description: Load all libraries needed for GDASApp in container")

modulefiles/GDAS/noaacloud.intel.lua

@@ -83,6 +83,9 @@ local mpinproc = '-n'
 setenv('MPIEXEC_EXEC', mpiexec)
 setenv('MPIEXEC_NPROC', mpinproc)
 
+-- setenv("CRTM_FIX","/contrib/global-workflow-shared-data/GDASApp/fix/crtm/2.4.0")
+-- setenv("GDASAPP_TESTDATA","/contrib/global-workflow-shared-data/GDASApp/testdata")
+-- setenv("GDASAPP_UNIT_TEST_DATA_PATH", "/contrib/global-workflow-shared-data/GDASApp/unittestdata")
 setenv("CRTM_FIX","/lustre/GDASApp/fix/crtm/2.4.0")
 setenv("GDASAPP_TESTDATA","/lustre/GDASApp/data/20251202/testdata")
 setenv("GDASAPP_UNIT_TEST_DATA_PATH", "/lustre/GDASApp/data/20251202/unittestdata")

ush/detect_machine.sh

@@ -8,6 +8,12 @@
 #
 # Thank you for your contribution
 
+# overwrite MACHINE_ID if in container
+if [[ -v SINGULARITY_CONTAINER ]]; then
+  # We are in a container
+  MACHINE_ID=container
+fi
+
 # If the MACHINE_ID variable is set, skip this script.
 [[ -n ${MACHINE_ID:-} ]] && return
 

ush/module-setup.sh

@@ -93,6 +93,11 @@ elif [[ $MACHINE_ID = noaacloud* ]]; then
     # We are on NOAA Cloud
     module purge
 
+elif [[ $MACHINE_ID = container* ]]; then
+    # We are on container 
+    source /usr/lmod/lmod/init/bash
+    module purge
+
 else
     echo WARNING: UNKNOWN PLATFORM 1>&2
 fi