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EasyBuild v5.4.0

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@boegel boegel released this 09 Aug 19:55
· 2 commits to develop since this release
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EasyBuild v5.4.0 is primarily a feature release, but also includes several bug fixes, minor enhancements, and much more.

Highlights for this release are listed below.

More details are available in the detailed 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 (***))

  • significantly reduce number of module load commands used to set up build environment;

  • enhance download_file to fallback to https://ftp.gnu.org if downloading from https://ftpmirror.gnu.org fails;

  • format extension names in module files (for Python packages);

  • generic CargoMesonNinja easyblock;

  • add custom easyblock for Bandicoot;

  • enhance GROMACS easyblock to improve control over PLUMED support;

  • refactor Score-P easyblock and update for v10.0;

Prominent bug fixes & changes

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

  • fix sanity check step in TensorRT easyblock;

  • fix excessive liberal regex used to pick correct path to ELPA include path in WIEN2k easyblock;

  • (***) use git_config for all sources for Siesta to guarantee that the versions of externals are correct;

  • (***) several fixes for SimNIBS 4.6.0 easyconfig;

  • (***) add patch for QuantumESPRESSO 7.5 so wannier2pw.x is also installed;

  • add alternative checksum for libcerf sources;

Supported software

Support for installing 32 new software packages has been added, including (but not limited to):

  • Bandicoot
  • coolpuppy
  • eQuilibrator
  • IMAS-Core, IMAS-Data-Dictionaries, IMAS-MDSplus-models
  • myst-nb
  • OpenFold3
  • SLATEC
  • stacie
  • tinydft
  • tinyff
  • wayvnc

This brings the total number of supported software packages to 3,123 (excluding extensions)!

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

  • AmberTools 26.1
  • binutils 2.47
  • Biopython 1.87
  • CGAL 6.2
  • cuTENSOR 2.7.0.5
  • FDS 6.11.1
  • FLINT 3.5.0
  • GCC 16.2.0
  • Graphviz 15.1.0
  • ICON 2026.04
  • jax 0.10.1
  • JupyterNotebook 7.5.7
  • likwid 5.5.1
  • modkit 0.6.4
  • mold 2.41.0,
  • nglview 4.0.1
  • numba 0.65.1
  • NVHPC 26.5
  • OpenFAST 5.0.0
  • OpenForceField-Toolkit 0.18.1
  • OpenMolcas 26.06
  • OptiX 9.1.0
  • pygame 2.6.1
  • R 4.6.1
  • R-bundle-CRAN 2026.07
  • R-bundle-Bioconductor 3.23
  • Score-P 10.1
  • SuiteSparse 7.12.2
  • sympy 1.14.0
  • Valgrind 3.26.0 w/ Verrou 2.7.0
  • WRF 4.7.1
  • Yambo 5.3.0 w/ double precision

An up-to-date list of supported software is available here.

Contributions

These changes result from various contributions, made by 26 different contributors:

  • 21 merged pull requests for EasyBuild framework
  • 23 merged pull requests for easyblocks
  • 191 merged pull requests for easyconfigs

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

Upgrading

To upgrade to EasyBuild v5.4.0, there are several options.
Two particularly easy options include:

  • eb --install-latest-eb-release

  • eb --from-pr 26625 # use easyconfig from PR #26625