easybuilders/easybuild easybuild-v5.1.2

EasyBuild v5.1.2

on GitHub

EasyBuild v5.1.2 is primarily a bugfix/update release, but it also includes various minor enhancements and support for new software (versions).

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 support for amdgcn-capabilities configuration option (equivalent to cuda-compute-capabilities for AMD GPUs);

• (***) various improvements to custom easyblock for LLVM;

• update various software-specific easyblocks to support new software versions, including for Amber(Tools), DualSPHysics, jax(lib), Mesa, MUMPS, ORCA, TensorFlow;

• add easyconfigs for foss/2025b and intel/2025b common toolchains;

Prominent bug fixes & changes

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

• test if all extensions support parallel install before attempting parallel extension install;
• fix error when adding files to existing PR with --update-pr;
• fixes for RPATH wrapper script;
• keep ModuleTool.mod_paths in sync with $MODULEPATH in ModuleTool.load(), to fix problems with using a hierarchical module naming schemes with Environment Modules as modules tool;
• don't log variables (un)set + raw output of module command when cleaning up fake module;
• load module in Bundle easyblock instead of components;
• (***) various fixes for custom easyblock for LLVM;
• (***) add back configure options for PETSc dependencies with generic --with options;
• (***) additional fixes for various other software-specific easyblocks, including for ELPA, HPL, Java, OpenCV, OpenBLAS, OpenFOAM, PETSc, pybind11, WPS;
• increase the default for the maximum number of failed PyTorch tests to 10;
• limit parallelism of OpenBLAS tests with parallel property;
• deprecate the Clang Easyblock in favor of the LLVM one for newer (>=18.1.6) versions of Clang;

Supported software

Support for installing 81 new software packages has been added, including (but not limited to):

• autoCAS
• CHARM++
• GAlib
• HPCToolkit
• MACE
• MFEM
• nvbandwidth
• Planet
• QCMaquis
• SnapATAC2

This brings the total number of supported software packages to 2,917 (excluding extensions)!
An up-to-date list of supported software is available here.

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

• AmberTools 25.2
• ASE 3.26.0
• BLIS 2.0
• CGAL 6.0.1
• CUDA 12.9.1 + 13.0.0
• GATE 10.0.2
• GCC 15.2.0
• GROMACS 2025.2
• Highway 1.3.0
• jax 0.6.2 + 0.7.0
• libxc 7.0.0
• likwid 5.4.1
• lxml 6.0.0
• magma 2.9.0
• MUST 1.11.1
• numba 0.62.0
• Octave 10.1.0
• OpenCV 4.11.0
• PETSc 3.23.5
• pocl 7.0
• Python-bundle-PyPI 2025.07
• PyTorch 2.6.0
• QuantumESPRESSO 7.5
• SciPy-bundle 2025.07
• Score-P 9.2
• Siesta 5.4.1
• SLiM 5.0
• SUNDIALS 7.0.0
• X11 20250608

These changes result from various contributions, made by 30 different contributors:

• 33 merged pull requests for EasyBuild framework
• 81 merged pull requests for easyblocks
• 503 merged pull requests for easyconfigs

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

To upgrade to EasyBuild v5.1.2, there are several options.
Two particularly easy options include:

• eb --install-latest-eb-release
• eb --from-pr 24024 # use easyconfig from PR #24024