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Refresh example recipes and documentation (#540)
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‎.github/workflows/docker_build.yml‎

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#- recipe: recipes/gromacs/gromacs.py
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# userargs: none=none
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# context: .
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- recipe: recipes/hpcbase-gnu-mvapich2.py
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- recipe: recipes/hpcbase-nvhpc-hpcx.py
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userargs: none=none
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context: .
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#- recipe: recipes/hpcbase-gnu-mvapich2.py
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# userargs: centos=true
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# context: .
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- recipe: recipes/hpcbase-gnu-openmpi.py
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- recipe: recipes/hpcbase-gnu-hpcx.py
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userargs: none=none
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context: .
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#- recipe: recipes/hpcbase-gnu-openmpi.py
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# userargs: centos=true
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-mvapich2.py
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# userargs: nvhpc_eula_accept=yes
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-mvapich2.py
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# userargs: nvhpc_eula_accept=yes centos=true
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-openmpi.py
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# userargs: nvhpc_eula_accept=yes
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-openmpi.py
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# userargs: nvhpc_eula_accept=yes centos=true
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# context: .
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- recipe: recipes/hpccm/bootstrap.py
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userargs: none=none
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context: .
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#- recipe: recipes/milc/milc.py
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# userargs: none=none
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# context: .
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#- recipe: recipes/mpi_bandwidth.py
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# userargs: none=none
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# context: .
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- recipe: recipes/mpi_bandwidth.py
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userargs: none=none
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context: .
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#- recipe: recipes/osu_benchmarks/osu_benchmarks.py
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# userargs: none=none
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# context: recipes/osu_benchmarks

‎.github/workflows/singularity_build.yml‎

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#- recipe: recipes/gromacs/gromacs.py
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# userargs: none=none
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# context: .
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- recipe: recipes/hpcbase-gnu-mvapich2.py
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- recipe: recipes/hpcbase-gnu-hpcx.py
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userargs: none=none
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context: .
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#- recipe: recipes/hpcbase-gnu-mvapich2.py
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# userargs: centos=true
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# context: .
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- recipe: recipes/hpcbase-gnu-openmpi.py
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- recipe: recipes/hpcbase-nvhpc-hpcx.py
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userargs: none=none
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context: .
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#- recipe: recipes/hpcbase-gnu-openmpi.py
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# userargs: centos=true
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-mvapich2.py
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# userargs: nvhpc_eula_accept=yes
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-mvapich2.py
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# userargs: nvhpc_eula_accept=yes centos=true
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-openmpi.py
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# userargs: nvhpc_eula_accept=yes
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# context: .
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#- recipe: recipes/hpcbase-nvhpc-openmpi.py
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# userargs: nvhpc_eula_accept=yes centos=true
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# context: .
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- recipe: recipes/hpccm/bootstrap.py
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userargs: none=none
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context: .
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#- recipe: recipes/milc/milc.py
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# userargs: none=none
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# context: .
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#- recipe: recipes/mpi_bandwidth.py
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# userargs: none=none
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# context: .
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- recipe: recipes/mpi_bandwidth.py
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userargs: none=none
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context: .
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#- recipe: recipes/osu_benchmarks/osu_benchmarks.py
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# userargs: none=none
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# context: recipes/osu_benchmarks

‎docs/workflows.md‎

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building an application container image.
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HPCCM includes [base recipes](/recipes) for all combinations of the
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Ubuntu and CentOS Linux distributions, the GNU and PGI compilers, and
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the OpenMPI and MVAPICH2 MPI libraries, plus commonly used software
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components such as the Mellanox OpenFabrics Enterprise Distribution,
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Python, FFTW, and HDF5. The provided base recipe can be easily
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customized to change component versions or add or subtract building
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blocks.
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Ubuntu and RHEL-based Linux distributions, the GNU and NVHPC compilers,
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plus commonly used software components such as the OpenFabrics Enterprise
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Distribution, HPC-X, FFTW, HDF5, and NetCDF. The provided base recipe
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can be easily customized to change component versions or add or subtract
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building blocks.
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For example:
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```
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$ wget https://raw.githubusercontent.com/NVIDIA/hpc-container-maker/master/recipes/hpcbase-gnu-openmpi.py
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$ hpccm --recipe hpcbase-gnu-openmpi.py > Dockerfile
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$ wget https://raw.githubusercontent.com/NVIDIA/hpc-container-maker/master/recipes/hpcbase-gnu-hpcx.py
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$ hpccm --recipe hpcbase-gnu-hpcx.py > Dockerfile
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$ sudo docker build -t hpcbase -f Dockerfile .
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```
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‎recipes/hpcbase-gnu-hpcx.py‎

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"""
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HPC Base image
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Contents:
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CUDA
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FFTW
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GNU compilers
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HDF5
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HPC-X (Open MPI, UCX, etc.)
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NetCDF
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+ typical development environment
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Use --userarg cuda_version=X.Y.Z and/or --userarg distro=<value> to
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alter the defaults, where X.Y.Z is 13.2.0, for instance, and the distro
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value is ubuntu24.04 or rockylinux9.
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"""
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cuda_version = USERARG.get('cuda_version', '13.2.0')
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distro = USERARG.get('distro', 'ubuntu24.04')
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runtime = USERARG.get('runtime', False)
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######
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# Devel stage
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######
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Stage0 += comment(__doc__, reformat=False)
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Stage0 += baseimage(image='nvcr.io/nvidia/cuda:{0}-devel-{1}'.format(cuda_version, distro), _as='devel')
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# Typical development environment
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common_packages = ['automake', 'autoconf', 'autoconf-archive', 'binutils',
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'bzip2', 'ca-certificates', 'cmake', 'diffutils', 'file',
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'gdb', 'git', 'gzip', 'libtool', 'make', 'numactl', 'patch',
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'tar', 'vim', 'wget']
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Stage0 += packages(apt=common_packages + ['libaec-dev', 'libnuma-dev',
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'libsz2', 'lmod', 'xz-utils',
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'zlib1g-dev'],
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epel=True,
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powertools=True if distro == 'rockylinux8' else False,
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yum=common_packages + ['Lmod', 'libaec-devel',
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'numactl-devel', 'xz', 'zlib-devel'])
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# GNU compilers
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compiler = gnu()
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Stage0 += compiler
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# OFED
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Stage0 += ofed()
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# gdrcopy
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Stage0 += gdrcopy(ldconfig=True, version='2.4.2', annotate=True)
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# HPC-X
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Stage0 += hpcx(version='2.25.1', hpcxinit=False, inbox=True, ldconfig=True)
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# FFTW
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Stage0 += fftw(version='3.3.10', mpi=True, toolchain=compiler.toolchain,
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annotate=True)
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# HDF5
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Stage0 += hdf5(version='1.14.5', toolchain=compiler.toolchain, annotate=True)
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# NetCDF
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Stage0 += netcdf(version='4.9.2', version_cxx='4.3.1', version_fortran='4.6.1',
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toolchain=compiler.toolchain, annotate=True)
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######
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# Runtime image
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######
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if runtime:
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Stage1 += baseimage(image='nvcr.io/nvidia/cuda:{0}-runtime-{1}'.format(cuda_version, distro))
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Stage1 += Stage0.runtime(_from='devel')

‎recipes/hpcbase-gnu-mvapich2.py‎

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‎recipes/hpcbase-gnu-openmpi.py‎

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‎recipes/hpcbase-nvhpc-hpcx.py‎

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"""
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HPC Base image
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Contents:
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FFTW
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HDF5
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NetCDF
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NVIDIA HPC SDK (CUDA, HPC-X, NVIDIA HPC Compilers)
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+ typical development environment
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Use --userarg nvhpc_version=X.Y and/or --userarg distro=<value> to
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alter the defaults, where X.Y.Z is 26.3, for instance, and the distro
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value is ubuntu24.04 or rockylinux9.
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"""
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nvhpc_version = USERARG.get('nvhpc_version', '26.3')
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distro = USERARG.get('distro', 'ubuntu24.04')
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Stage0 += comment(__doc__, reformat=False)
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Stage0 += baseimage(image='nvcr.io/nvidia/nvhpc:{0}-devel-cuda_multi-{1}'.format(nvhpc_version, distro), _as='devel')
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# Create compiler toolchain
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tc = hpccm.toolchain(CC='nvc', CXX='nvc++', F77='nvfortran', F90='nvfortran',
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FC='nvfortran')
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# FFTW
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Stage0 += fftw(version='3.3.10', mpi=True, toolchain=tc, annotate=True)
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# HDF5
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# Disable float16 to workaround missing intrinsics in older Linux
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# distributions / GCC versions
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Stage0 += hdf5(version='1.14.5', toolchain=tc, annotate=True,
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enable_nonstandard_feature_float16='no')
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# NetCDF
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Stage0 += netcdf(version='4.9.2', version_cxx='4.3.1', version_fortran='4.6.1',
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toolchain=tc, annotate=True)

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