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CHANGELOG.md

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v22.2.0

  • Changes the NVIDIA HPC SDK (nvhpc) building block to install from the package repository by default.
  • Refreshes default component version for the CMake (cmake), LLVM (llvm) an NVIDIA HPC SDK (nvhpc) building blocks.
  • Updates to the example recipes for CentOS 8 EOL.
  • Updates the MILC example recipe.

v21.12.0

  • Refreshes default component version for the NVIDIA HPC SDK (nvhpc) building block.

v21.10.0

  • Refreshes default component version for the Arm Allinea Studio (arm_allinea_studio) building block.
  • Enhancements to the XPMEM (xpmem) building block.

v21.9.0

  • Refreshes default component versions for the FFTW (fftw) and NVIDIA HPC SDK (nvhpc) building blocks.
  • Fixes and enhancements to the LLVM (llvm) building block.
  • Updates the MILC example recipe.

v21.8.0

  • Refreshes default component version for the NVSHMEM (nvshmem) building block
  • Adds NVIDIA HPC SDK example recipe

v21.7.0

  • Refreshes default component version for the NVIDIA HPC SDK (nvhpc) building block.
  • Fixes to the HPC-X (hpcx) building block documentation.

v21.6.0

  • Adds support for Rocky Linux.
  • Refresh default component versions for the Boost (boost), HPC-X (hpcx), and Mellanox OFED (mlnx_ofed) building blocks.
  • Fixes and enhancements to the Nsight Compute (nsight_compute) building block.

v21.5.0

  • Adds CPU microarchitecture optimization support via archspec.
  • Fixes and enhancements to the Nsight Compute (nsight_compute), NVIDIA HPC SDK (nvhpc), and PMI (slurm_pmi2) building blocks.

v21.4.0

  • Fixes and enhancements to the gdrcopy (gdrcopy), LLVM (llvm), Mellanox OFED (mlnx_ofed), Nsight Compute (nsight_compute), Nsight Systems (nsight_systems), NVIDIA HPC SDK (nvhpc), and NVSHMEM (nvshmem) building blocks.

v21.3.0

  • Updates MPI Bandwidth and OSU Micro-Benchmarks example recipes and removes obsolete syntax from several other examples.
  • Fixes to the Arm Allinea Studio (arm_allinea_studio) and CMake (cmake) building blocks.
  • Detects and reports Singularity recipes that stage files from the host in /tmp or /var/tmp.
  • Fixes to the documentation of the shell primitive.

v21.2.0

  • Refreshes default component versions for the Nsight Systems (nsight_systems) and NVIDIA HPC SDK (nvhpc) building blocks.
  • Fixes and enhancements to the PnetCDF (pnetcdf) building block.

v21.1.0

  • Fixes and enhancements to the gdrcopy (gdrcopy), pip (pip), and generic (generic_autotools, generic_build, generic_cmake) building blocks.

v20.12.0

  • Adds a RDMA Core (rdma_core) building block.
  • Fixes and enhancements to the gdrcopy (gdrcopy) and NVIDIA HPC SDK (nvhpc) building blocks.
  • Add a configuration option to specify the working directory used inside the container when building.
  • Fix issue with deepcopies of toolchains.

v20.11.0

  • Enhancements to the Nsight Compute (nsight_compute), Nsight Systems (nsight_systems), and NVIDIA HPC SDK (nvhpc) building blocks.
  • Adds simple conversion of toolchains to environments.

v20.10.0

  • Adds support for Ubuntu 20.04.
  • Adds a Nsight Compute (nsight_compute) building block.
  • Refreshes default component version for the NVIDIA HPC SDK (nvhpc).
  • Enhancements to the Anaconda (conda), CMake (cmake), and LLVM (llvm).
  • Adds an OSU Micro-Benchmarks example recipe, demonstrating how to build a container that is portable with respect to the host OFED version.
  • Updates the example recipes to use the NVDIA HPC SDK instead of the PGI compilers.
  • Fixes an install issue with Python 3.4 and later.

v20.9.0

  • Refreshes default component versions for the Arm Allinea Studio (arm_allinea_studio), Boost (boost), CGNS (cgns), Charm++ (charm), CMake (cmake), Anaconda (conda), gdrcopy (gdrcopy), HDF5 (hdf5), HPC-X (hpcx), Intel Parallel Studio runtime (intel_psxe_runtime), Julia (julia), Kokkos (kokkos), Mellanox OFED (mlnx_ofed), "Multi OFED" (multi_ofed), MVAPICH2 (mvapich2), MVAPICH2-GDR (mvapich2_gdr), NCCL (nccl), NetCDF (netcdf), OpenBLAS (openblas), OpenMPI (openmpi), PMIX (pmix), PMI (slurm_pmi2), and UCX (ucx) building blocks.
  • Enhancements and fixes to the GNU (gnu), NVIDIA HPC SDK (nvhpc), OpenMPI (openmpi), pip (pip), and PnetCDF (pnetcdf) building blocks.
  • Updates the PGI (pgi) building block to reflect changes in the vendor distribution model.

v20.8.0

  • Adds an NVIDIA HPC SDK (nvhpc) building block, replacing the previous one (nv_hpc_sdk).
  • Enhancements to the GNU (gnu) and LLVM (llvm) building blocks.
  • Update the hpcbase example recipes to use the NVDIA HPC SDK instead of the PGI compilers.

v20.7.0

  • Adds a NCCL (nccl) building block.
  • Enhancements and fixes to the Boost (boost), LLVM (llvm), NVSHMEM (nvshmem), and UCX (ucx) building blocks.
  • Fix an issue when using the hpccm.sh wrapper script
  • Internal change to add runtime support to the base building block class.

v20.6.0

  • Adds AMGX (amgx), NVIDIA HPC SDK (nv_hpc_sdk), and NVSHMEM (nvshmem) building blocks.
  • Enhancements to the Kokkos (kokkos), LLVM (llvm) and generic (generic_autotools, generic_build, generic_cmake) building blocks.
  • Adds support for zip file packages.
  • Fix to the Jupyter example recipe.

v20.5.0

  • Fixes to the Intel Parallel Studio runtime (intel_psxe_runtime), Mellanox OFED (mlnx_ofed), and "Multi OFED" (multi_ofed) building blocks.
  • Refresh default component version for the HPC-X (hpcx) building block.

v20.4.0

  • Adds MAGMA (magma) building block
  • Refresh default component versions for the Mellanox OFED (mlnx_ofed), OpenMPI (openmpi), and UCX (ucx) building blocks
  • Adds support for container annotations
  • Update many building blocks to internally use the generic building blocks.
  • Updates the EasyBuild example recipe.

v20.3.0

  • Adds Nsight Systems (nsight_systems) building block.
  • Fixes and enhancements to the LLVM (llvm), Mellanox OFED (mlnx_ofed), and generic (generic_autotools, generic_build, generic_cmake) building blocks.
  • Adds the ability to include recipes in other recipes.
  • Adds helper to query the output format in a recipe.
  • Updates the GROMACS example recipe.

v20.2.0

  • Refresh default component versions for the Arm Allinea Studio (arm_allinea_studio), Boost (boost), CMake (cmake), gdrcopy (gdrcopy), HDF5(hdf5), Intel MPI (intel_mpi), Intel Parallel Studio runtime (intel_psxe_runtime), Julia (julia), MKL (mkl), Mellanox OFED (mlnx_ofed), MPICH (mpich), MVAPICH2 (mvapich2), MVAPICH2-GDR (mvapich2-gdr), NetCDF (netcdf), OpenBLAS (openblas), OpenMPI (openmpi), PnetCDF (pnetcdf), PMI (slurm_pmi2), and UCX (ucx) building blocks.
  • Adds git capabilities to the OpenMPI (openmpi) and UCX (ucx) building blocks.
  • Fix issue with versioned GNU compilers on CentOS 8.
  • Added support for arbitrary Autotools feature and package flags to the ConfigureMake template and all derived building blocks.
  • Updates the GROMACS example recipe.
  • Resolves items flagged by the code scan.

v20.1.0

  • Adds Mellanox HPC-X (hpcx) building block
  • Fixes and enhancements for the NetCDF (netcdf), SCI-F (scif), and generic (generic_autotools, generic_build, generic_cmake) building blocks
  • Add support for non-Docker Singularity bootstrap sources
  • New parameter in the git template for submodule support
  • Set the default platform architecture to match the runtime architecture
  • Replaced Python wrapper script with a shell script (hpccm.sh)

v19.12.0

  • Adds generic builder (generic_build), PMI (slurm_pmi), and PMIx (pmix) building blocks
  • Fixes and enhancements for the generic GNU Autotools (generic_autotools), generic CMake (generic_cmake), Intel Parallel Studio XE runtime (intel_psxe_runtime), and NetCDF (netcdf) building blocks
  • Minor improvements and clarifications for Singularity multi-stage recipes
  • Adds LAMMPS example recipe and updates GROMACS, MILC, and MPI bandwidth example recipes

v19.11.0

  • Adds generic building blocks for GNU Autotools (generic_autotools) and CMake (generic_cmake) packages
  • Refresh default component version for the PGI (pgi) building block
  • Adds Jupyter notebook example recipe
  • Refresh default component versions used in the hpcbase example recipes
  • Fix issue with UCX runtime dependencies

v19.10.0

  • Adds Anaconda (conda) and Arm Allinea Studio (arm_allinea_studio) building blocks.
  • Adds support for CentOS 8 base images.
  • Fixes and enhancements for the Charm++ (charm), CMake (cmake), LLVM (llvm), Mellanox OFED (mlnx_ofed), and OpenMPI (openmpi) building blocks.

v19.9.0

  • Adds Julia (julia) building block.

v19.8.0

  • Adds experimental support for ARM (aarch64) and POWER (ppc64le) processors.
  • Enhances the shell primitive to support Docker specific experimental RUN options.
  • Fix issue due to NetCDF package name change.

v19.7.0

  • Refreshes default component versions for the Boost (boost), ParaView/Catalyst (catalyst), CGNS (cgns), Charm++ (charm), CMake (cmake), HDF5 (hdf5), Intel MPI (intel_mpi), Intel Parallel Studio XE (intel_psxe and intel_psxe_runtime), Kokkos (kokkos), MKL (mkl), Mellanox OFED (mlnx_ofed), MPICH (mpich), MVAPICH2 (mvapich2), NetCDF (netcdf), OpenBLAS (openblas), OpenMPI (openmpi), PnetCDF (pnetcdf), and UCX (ucx) building blocks.
  • Adds "Multi OFED" (multi_ofed) building block to install multiple, side-by-side versions of Mellanox and inbox OFED that can be selected at runtime based on the best match with the host InfiniBand driver.
  • Adds envvars template and updates most building blocks to introduce an environment parameter to optionally disable setting up the component environment.

v19.6.0

  • Enhances the GNU (gnu) building block to build the compiler from source, optionally with OpenACC support
  • Adds support for Windows
  • Enhances the copy primitive to support the Docker specific --chown option

v19.5.1

  • Fix issue with installs from PyPi

v19.5.0

  • Adds support for Singularity multi-stage builds (Singularity version 3.2 or later)
  • Fix for the PnetCDF building block (pnetcdf)
  • Sort packages by name
  • Internal refactoring to simplify importing building blocks

v19.4.0

  • Adds Intel Parallel Studio XE runtime (intel_psxe_runtime) and SENSEI (sensei) building blocks
  • Updates and enhacements to the Intel Parallel Studio XE (intel_psxe) and PGI (pgi) building blocks
  • Refresh default component versions for the MVAPICH2-GDR (mvapich2_gdr) and PGI (pgi) building blocks
  • Enhance the Mellanox OFED (mlnx_ofed) building block to support installing multiple versions in the same container image
  • Fix issue with setting the environment when using Docker images as Singularity base images
  • Adds support for bash script output format

v19.3.0

  • Adds Scientific Filesystem (scif) and VisIt/Libsim (libsim) building blocks
  • Consistent interfaces for the ConfigureMake and CMake templates
  • New files parameter in the copy primitive
  • Fix for the Intel Parallel Studio XE building block (intel_psxe)
  • Internal refactoring including a building block base class and MRO inheritance

v19.2.0

  • Adds Kokkos (kokkos) and ParaView/Catalyst (catalyst) building blocks
  • Update the MVAPICH2-GDR (mvapich2_gdr) building block for upstream changes
  • Add option to install Python development packages (python)
  • Fixes and enhancements for the GNU (gnu) and pip (pip) building blocks

v19.1.0

  • Adds MPICH (mpich) and pip (pip) building blocks
  • Simplify specifying runtime stages with the Stage.runtime() method
  • Add support for configuring library locations with ldconfig
  • Add container specification files for building a HPCCM container
  • Remove the CMake (cmake) building block runtime method
  • Add an option to specify whether environment variables from the Docker base image should be loaded in Singularity
  • Update the GROMACS and MILC example recipes to use the new capabilities

v18.12.0

  • Add support for Ubuntu 18 base images
  • Refresh the documentation
  • Refresh default component version for the Intel MPI (intel_mpi) building block
  • Dynamically select the number of build processes
  • Fixes for the PGI (pgi) and PnetCDF (pnetcdf) building blocks

v18.11.0

  • Adds UCX (ucx), gdrcopy (gdrcopy), KNEM (knem), and XPMEM (xpmem) building blocks
  • Refresh default component versions for the Boost (boost), CMake (cmake), FFTW (fftw), HDF5 (hdf5), MKL (mkl), MVAPICH2 (mvapich2), OpenBLAS (openblas), OpenMPI (openmpi), and PGI (pgi) building blocks
  • Improved support for import hpccm use cases

v18.10.0

  • Enhancements and fixes for the Boost (boost), FFTW (fftw), HDF5 (hdf5), Intel MPI (intel_mpi), LLVM (llvm), MVAPICH2 (mvapich2), and PGI (pgi) building blocks
  • Adds CMakeBuild template for working with CMake based components
  • Updated the GROMACS and MILC example recipes to use the new CMakeBuild template
  • Fixes for the EasyBuild and Spack example recipes
  • Adds workarounds for Singularity specific issue copying files to a location that does not exist (see sylabs/singularity#1549)
  • New parameter in the tar template for more flexible argument specification

v18.9.0

  • Adds LLVM (llvm) building block
  • New parameters in the GNU (gnu) building block
  • Adds support for the Scientific Filesystem (SCIF) for Singularity recipe files
  • Resolves an issue with OpenMPI process affinity

v18.8.0

  • Adds Boost (boost), CGNS (cgns), Intel MPI (intel_mpi), and OpenBLAS (openblas) building blocks
  • Adds Spack and MPI Bandwidth reference recipes, refreshes the GROMACS and EasyBuild reference recipes
  • Adds user primitive for setting the active user in Dockerfiles
  • Adds rm template for cleaning up files and directories
  • New parameter in the git template for LFS support
  • Internal reorganization of runtime() methods to consistently output strings

v18.7.0

  • Adds Charm++ (charm), Intel Parallel Studio XE (intel_psxe), and PnetCDF (pnetcdf) building blocks
  • New parameters in the PGI (pgi) building block
  • Internal reorganization of files into sub-directories for building blocks, templates, and primitives

v18.6.0

  • Adds Intel MKL (mkl) and NetCDF (netcdf) building blocks
  • Enhancements and fixes for the Mellanox OFED (mlnx_ofed), MVAPICH2 (mvapich2), OpenMPI (openmpi), and PGI (pgi) building blocks
  • New parameters in the toolchain template
  • Load environment variables from the Docker base image when bootstrapping from a Docker image in Singularity
  • Resolves a potential conflict with host files in /tmp for Singularity recipe files

v18.5.0

  • Initial release