easybuilders/easybuild easybuild-v5.2.0

EasyBuild v5.2.0

on GitHub

EasyBuild v5.2.0 is primarily a feature release, but it also includes various minor enhancements, bug fixes, 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 NVHPC toolchain with nvidia-compilers, NVHPCX, NVBLAS, and NVScaLAPACK;

• add support for LLVM-based toolchains lfoss and lmpflf (+ subtoolchains llvm-compilers, lfbf, lompi, lmpich);

• add --keep-going option to fail at the end not at first failing installation;

• use proper exit code as determined by main function;

• print total runtime of all builds;

• vendor a copy of tomli in easybuild.tools.tomllib;

• vendor copy of tomli-w 1.2.0, use it to implement dump_toml function in easybuild.tools.filetools;

• improve logging for shell commands being run;

• one new generic easyblock: NvidiaBase;

• 5 new software-specific easyblocks: gnupg-bundle, Kokkos, nvidia-compilers, pocl, QEMU;

• enhance easyblocks to support building with LLVM and/or NVHPC toolchains;

• enhance Cargo easyblock to merge Cargo.toml file with workspace file;

• update and/or enhance various generic easyblocks: Bundle, Cargo, CMakeMake, PythonBundle, PythonPackage;

• update and/or enhance various software-specific easyblocks: ABAQUS, binutils, BLIS, GAMESS, GROMACS, HPCG, jaxlib, LAMMPS, LLVM, Mathematica, NCL, OpenFOAM, Python, QuantumESPRESSO, STAR-CCM+, TensorRT, Trilinos, WRF;

• add easyconfigs for new LLVM-based toolchains: lompi/2025b + lfbf/2025b + lfoss/2025b, lmpich/2025b + lmpflf/2025b;

• (***) add patch for HMMER v3.4 to add support for --seq_limit option;

Prominent bug fixes & changes

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

• deprecate support for running EasyBuild with Python < 3.9;

• pass dependencies to toolchain.prepare when setting up build environment for extensions;

• also pick up on toolchain components in Toolchain._add_dependency_variables;

• fix custom easyblock for PyTorch w.r.t. parsing of test results (XML files);

• bug fixes for various generic easyblocks: BuildEnv, Cargo, CMakeNinja, ConfigureMake, MesonNinja;

• (***) bug fixes for various software-specific easyblocks: bzip2, GROMACS, LLVM, netCDF, netCDF-Fortran, NVHPC, OpenBabel, Python;

• (***) add patch for GCCcore 10.3-13.2 to fix AVX-512 vectorizer bug;

• (***) add patches to fix CVEs in Redis;

• (***) add various patches for different versions of LLVM;

• (***) split NVHPC v25 easyconfigs into nvidia-compilers;

• (***) unbundle Python bindings for zlib-ng 0.5.1 into a separate python-zlib-ng easyconfig file;

Supported software

Support for installing 174 (!) new software packages has been added, including (but not limited to):

• ATAT
• BEAST-X
• cuBLASMp
• cuFFTMp
• cuSOLVERMp
• dav1d
• dysco
• FEniCS
• Fluxbox
• HPCViewer
• IMAS-ParaView
• JUBE
• Kokkos
• LINC
• llvm-compilers
• LPC3D
• Modeller
• numba-cuda
• nvidia-compilers
• OpenGL
• Palantir
• ParaView-Catalyst
• PyQt6
• QEMU
• RELION
• simde
• SWI-Prolog
• TRL
• Twisted
• Vulkan
• xterm

This brings the total number of supported software packages to 3,096 (excluding extensions)!
An up-to-date list of supported software is available here.

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

• ABINIT 10.4.7
• Arrow 22.0.0
• Bazel 7.7.0
• BLAST+ 2.17.0
• CellRanger 10.0.0
• CUDA 13.1.0
• CuPy 13.6.0
• ESMF 8.9.0
• GHC 9.12.2
• gnuplot 6.0.3
• GROMACS 2025.3,
• IQ-TREE 2.4.0 + 3.0.1
• MCScanX 1.0.0
• MPICH 4.3.2
• OpenCV 4.12.0
• OpenFOAM 13 + v2412_250814 + v2506
• OrthoFinder v3.1.0
• Parallel-Hashmap 2.0.0
• PETSc 3.24.0
• pymatgen 2025.10.7
• PyTorch-bundle 2.6.0
• Qiskit 2.0.2
• R 4.5.1 + 4.5.2
• R-bundle-Bioconductor 3.22
• R-bundle-CRAN 2025.10 + 2025.11
• Rust 1.91.1
• Score-P 9.3
• SLEPc 3.24.0
• Spack 1.0.2
• Spark 4.0.1
• TensorFlow 2.18.1
• Trilinos 16.1.0
• Triton 3.5.0
• VirtualGL v3.1.4
• VTK 9.5.2
• xarray 2025.10.0
• XGBoost 3.0.4

These changes result from various contributions, made by 27 different contributors:

• 50 merged pull requests for EasyBuild framework
• 66 merged pull requests for easyblocks
• 883 merged pull requests for easyconfigs

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

To upgrade to EasyBuild v5.2.0, there are several options.
Two particularly easy options include:

• eb --install-latest-eb-release

• eb --from-pr 24974 # use easyconfig from PR #24974