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EasyBuild v4.9.0
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@boegel boegel released this 30 Dec 21:28
· 5 commits to develop since this release
easybuild-v4.9.0
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boegel Kenneth Hoste
GPG key ID: 90C14B582D70E3BE
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EasyBuild v4.9.0 is primarily a feature release, mainly because it includes the 2023b version of the common toolchains (foss + intel), but it also includes various bug fixes, and much more.

The executive summary for this release:

  • improved support for using recent version of Environment Modules as modules tool;

  • new generic CargoPythonBundle easyblock;

  • 3 new custom easyblocks: for flook, HPCC, and PALM;

  • easyconfigs for foss/2023b and intel/2023b;

  • Easyconfigs for various recent software versions, including GROMACS 2023.3, NWChem 7.2.2, Python-bundle-PyPI 2023.10, PyTorch 2.1.2, R 4.3.2, SciPy-bundle 2023.11, Spark 3.5.0, VTK 9.3.0, ...;

  • Support for installing 77 new software applications and libraries;

Highlights for this release are listed below. More details are available in the release notes which includes links to the respective pull requests for more detailed information.

Highlighted enhancements & updates

(enhancements or updates that (may) warrant updating existing installations are marked with (***))

  • add generic CargoPythonBundle easyblock;

  • 3 new software-specific easyblocks for flook, HPCC, PALM;

  • update easyblocks for intel-compilers, impi, imkl to support latest versions;

  • update numpy easyblock for v1.26+;

  • updates and enhancements to custom easyblocks for Ferret, SuiteSparse;

  • add easyconfigs for foss/2023b and intel/2023b (see also common toolchains overview);

Prominent bug fixes & changes

(bug fixes or changes that (may) warrant re-installing easyconfigs are marked with (***))

  • fix support for Environment Modules as modules tool to pass unit tests with v4.2+;

  • adapt module function check for Environment Modules v4+;

  • disable LLVM build downloads from CI in Rust;

  • update SuiteSparse easyblock to only install SuiteSparse libraries with make install;

  • fix specifying path to SuiteSparse header files and libraries in numpy, Trilinos, PETSc easyblocks;

  • add support for allowing version mismatch + consider versionsuffix when creating .modulerc in ModuleRC easyblock;

  • fix det_pylibdir provided by PythonPackage easyblock for Python 3.12+;

  • bug fixes for custom easyblocks for Clang, CUDA, numpy, NWChem, PETSc, PyTorch, Rust, SuiteSparse, TensorFlow, Trilinos

  • add patch to fix regression in GCC 12.x on AVX512 systems (***);

  • add patch for GCC 12.x to fix miscompiling C++ code causing double-free in case of exceptions (***);

  • add patch to fix detection of newer Intel CPUs in OpenBLAS 0.3.20 through 0.3.23;

  • fix OpenBLAS 0.3.20+ on newer Intel CPUs;

  • add patch to fix [cz]asums in OpenBLAS 0.3.24 (***);

  • add patch to work around potential crash in PyTorch 1.13.1 caused by GCC 12 compiler bug (***);

  • change toolchain in json-fortran easyconfigs to GCC, since it includes Fortran modules (***);

  • use GCC toolchain in kim-api, since it includes Fortran modules (***);

  • allow ITK legacy code and Python wrappers in ITK v5.2.1 (***);

Supported software

Support for installing 77 new software packages has been added, including (but not limited to):

  • BRiAl
  • CellBender
  • DIA-NN
  • EUKulele
  • FACE
  • GFF3-toolkit
  • HPCC
  • iperf
  • LoopTools
  • MitoHiFi
  • PFFT
  • PySINDy
  • R-bundle-CRAN
  • scikit-lego
  • SEACells
  • solo
  • Triton
  • waLBerla

This brings the total number of supported software packages to 3,369 (excluding extensions)!
An up-to-date list of supported software is available here.

Various software updates have been added, including (but not limited to):

  • Arrow 14.0.1
  • Boost 1.83.0
  • CellRanger 7.2.0
  • CUDA 12.3.0
  • f90wrap 0.2.11
  • FPM 1.15.1
  • GPyTorch 1.10
  • GROMACS 2023.3
  • ITK 5.3.0,
  • LinBox 1.7.0
  • magma 2.7.2,
  • Molden 7.3
  • NWChem 7.2.2
  • phonopy 2.20.0
  • PostgreSQL 16.1,
  • Python-bundle-PyPI 2023.10
  • PyTorch 2.1.2
  • R 4.3.2
  • SciPy-bundle 2023.11
  • Seurat 4.4.0
  • Spark 3.5.0
  • SuiteSparse 7.1.0
  • UCX-CUDA 1.15.0
  • VTK 9.3.0
  • XGBoost 2.0.2

These changes result from various contributions, made by 34 different contributors:

  • 21 merged pull requests for EasyBuild framework
  • 26 merged pull requests for easyblocks
  • 276 merged pull requests for easyconfigs

Thanks to everyone who contributed to this release in one way or another!

To upgrade to EasyBuild v4.9.0, there are several options.
Two particularly easy options include:

  • eb --install-latest-eb-release

  • eb --from-pr 19464 # use easyconfig from PR #19464

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