Updated function test. Successful compile of single definition file (base, libraries, WRF, & WPS). Compiled with gcc
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Varyngoth
253
functiontest.def
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253
functiontest.def
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###########################################################################
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###########################################################################
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##
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## Apptainer Build File: Skyply
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## Function: Fully-integrated Simulation stack for WRF, CMAQ, & SCICHEM
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##
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## Documentation:
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##
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###########################################################################
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###########################################################################
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Bootstrap: localimage
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From: base.sif
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%labels
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Author HPCStack
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Version 1.0
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Description "Rocky 9 base with development tools for WRF/CMAQ"
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%files
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/mnt/src/* /opt/src
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%post
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# ---------------------- Define Relevant Paths and Settings ------------------
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export HPC_PATH=/opt/hpc
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export MODEL_PATH=/opt/models
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export SOURCE_PATH=/opt/src
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export MPI_HOME=$HPC_PATH/mpi
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export HDF5=$HPC_PATH/hdf5
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export NETCDF=$HPC_PATH/netcdf
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export IOAPI=$HPC_PATH/ioapi
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export PATH=$MPI_HOME/bin:$NETCDF/bin:$PATH
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export LD_LIBRARY_PATH=$MPI_HOME/lib:$HDF5/lib:$NETCDF/lib:$LD_LIBRARY_PATH
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# ---------------------- Build OpenMPI ------------------
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cd ${SOURCE_PATH}/openmpi
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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if [ -n "$TAR_FILE" ]; then
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tar -xzf "$TAR_FILE"
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TOP_DIR=$(tar -tf "$TAR_FILE" | sed -n '1p' | cut -f1 -d"/")
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cd "$TOP_DIR"
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else
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echo "No tarball found in ${SOURCE_PATH}/openmpi"
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exit 1
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fi
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./configure --prefix=$MPI_HOME
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make -j$(nproc)
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make install
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# Compiler wrappers for MPI-enabled builds (used by all packages below)
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# Set these once so each package build uses the same compilers
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export CC=$MPI_HOME/bin/mpicc
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export CXX=$MPI_HOME/bin/mpicxx
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export FC=$MPI_HOME/bin/mpif90
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export CPPFLAGS="-I${HDF5}/include"
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export LDFLAGS="-L${HDF5}/lib"
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export LD_LIBRARY_PATH=${HDF5}/lib:$LD_LIBRARY_PATH
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# ---------------------- Build Parallel HDF5 ------------------
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cd ${SOURCE_PATH}/hdf5
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# get the latest tarball
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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[ -n "$TAR_FILE" ] || { echo "No tarball found"; exit 1; }
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# extract tarball
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tar -xzf "$TAR_FILE"
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# cd into the only directory created (ignore files)
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cd */ || { echo "No directory found after extraction"; exit 1; }
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# configure and install
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./configure --prefix=$HDF5 --enable-parallel --enable-fortran
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make -j$(nproc)
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make install
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# ---------------------- Build NetCDF-C ------------------
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cd ${SOURCE_PATH}/netcdf-c
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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if [ -n "$TAR_FILE" ]; then
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tar -xzf "$TAR_FILE"
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TOP_DIR=$(tar -tf "$TAR_FILE" | sed -n '1p' | cut -f1 -d"/")
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cd "$TOP_DIR"
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else
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echo "No tarball found in ${SOURCE_PATH}/netcdf-c"
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exit 1
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fi
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./configure --prefix=$NETCDF --enable-parallel-tests
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make -j$(nproc)
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make install
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# ---------------------- Build NetCDF-Fortran ------------------
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cd ${SOURCE_PATH}/netcdf-fortran
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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if [ -n "$TAR_FILE" ]; then
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tar -xzf "$TAR_FILE"
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TOP_DIR=$(tar -tf "$TAR_FILE" | sed -n '1p' | cut -f1 -d"/")
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cd "$TOP_DIR"
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else
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echo "No tarball found in ${SOURCE_PATH}/netcdf-fortran"
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exit 1
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fi
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CPPFLAGS="-I$NETCDF/include" \
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LDFLAGS="-L$NETCDF/lib" \
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./configure --prefix=$NETCDF --enable-large-files
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make -j$(nproc)
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make install
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# ---------------------- Install WRF ------------------
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cd ${SOURCE_PATH}/wrf
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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if [ -n "$TAR_FILE" ]; then
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tar -xzf "$TAR_FILE"
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TOP_DIR=$(tar -tf "$TAR_FILE" | sed -n '1p' | cut -f1 -d"/")
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# move whatever was extracted to the models path (wrf)
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mv "$TOP_DIR" ${MODEL_PATH}/wrf
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else
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echo "No tarball found in ${SOURCE_PATH}/wrf"
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exit 1
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fi
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cd ${MODEL_PATH}/wrf
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printf "34\n1\n" | ./configure
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ulimit -s unlimited
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./compile em_real -j $(nproc) 2>&1 | tee compile.log || true
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ls -lh main || true
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ls -lh run || true
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# ---------------------- Install WPS ------------------
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cd ${SOURCE_PATH}/wps
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# Extract WPS source and move to models path
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TAR_FILE=$(ls -1t *.tar.gz *.tgz 2>/dev/null | head -n1 || true)
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if [ -n "$TAR_FILE" ]; then
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tar -xzf "$TAR_FILE"
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TOP_DIR=$(tar -tf "$TAR_FILE" | sed -n '1p' | cut -f1 -d"/")
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mv "$TOP_DIR" ${MODEL_PATH}/wps
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else
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echo "No tarball found in ${SOURCE_PATH}/wps"
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exit 1
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fi
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cd ${MODEL_PATH}/wps
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# Tell WPS where WRF is installed
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export WRF_DIR=${MODEL_PATH}/wrf
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# Configure automatically (choose Linux + gfortran)
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printf "1\n" | ./configure
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# Compile WPS
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./compile 2>&1 | tee compile.log || true
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# Verify binaries
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ls -lh geogrid/src/geogrid.exe || true
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ls -lh ungrib/src/ungrib.exe || true
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ls -lh metgrid/src/metgrid.exe || true
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%environment
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############################################################
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## Compiler Settings
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############################################################
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# Intel Compiler
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export CC=icc
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export CXX=icpc
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export FC=ifort
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export F77=ifort
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# GNU Compiler
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#export CC=gcc
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#export CXX=g++
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#export FC=gfortran
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#export F77=gfortran
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############################################################
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## General
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############################################################
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export HPC_PATH=/opt/hpc
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export MODEL_PATH=/opt/models
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export SOURCE_PATH=/opt/src
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############################################################
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## OpenMPI Settings
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############################################################
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export MPI=/opt/hpc/mpi
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############################################################
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## OpenMP Settings
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############################################################
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export OMP_NUM_THREADS=1
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export OMP_PROC_BIND=spread
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export OMP_PLACES=cores
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############################################################
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## HDF5 Settings
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############################################################
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export HDF5=$HPC_PATH/hdf5
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export PHDF5=$HDF5
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############################################################
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## NetCDF Settings
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############################################################
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export NETCDF_INCDIR
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export NETCDF_LIBDIR
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export NETCDF=$HPC_PATH/netcdf
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export NETCDF=$NETCDF
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############################################################
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## IO/API Settings
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############################################################
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export MPI_HOME=$HPC_PATH/mpi
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export IOAPI=$HPC_PATH/ioapi
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############################################################
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## WRF Settings
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############################################################
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export WRF_DIR=$MODEL_PATH/wrf
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export PATH=$MPI_HOME/bin:$NETCDF/bin:$PATH
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export LD_LIBRARY_PATH=$MPI_HOME/lib:$HDF5/lib:$NETCDF/lib:$IOAPI/lib:$LD_LIBRARY_PATH
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############################################################
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## WPS Settings
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############################################################
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export WPS_DIR=$MODEL_PATH/wps
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############################################################
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## CMAQ Settings
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############################################################
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export CMAQ_DIR=$MODEL_PATH/cmaq
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export JASPERLIB=/usr/lib64
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export JASPERINC=/usr/include
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