Dear EasyBuilders,
We're happy to announce the release of EasyBuild v4.9.3 [1].
This past summer (in the northern hemisphere) has been full of
distractions (what was up with all the sporty events?!), but we
nevertheless managed to prepare another EasyBuild version.
At the risk of fully making this into a running gag: this is likely the
last release of an EasyBuild 4.x version.
Very soon now, we will collapse the '5.0.x' branches in the easybuild-*
repositories where we've been working towards EasyBuild 5.0 into the
'develop' branches, with the intention of actually making the next
EasyBuild release be version 5.0.0.
There's a bit more work to do there, but we've made good progress in the
past couple of weeks, so we hope we can finally wrap up this
long-running effort.
Let's see how that works out...
And oh yes: EasyBuild v4.9.3 is the best EasyBuild release to date,
because of course it is.
EasyBuild v4.9.3 is primarily a bugfix & update release, but it also
includes various enhancements.
The executive summary for this release:
- easyconfigs for the foss/2024a and intel/2024a common toolchains;
- support for installing 107 (!) new software applications, tools,
and libraries, including HERRO, MAGIC, pyMBE, Sagemath,
Single-cell-python-bundle, Visit;
- easyconfigs for various recent software versions, including
AlphaPulldown 2.0.0b4, Clang + LLVM 18.1.8, CUDA 12.5.0 + 12.6.0, FFmpeg
7.0.2, GCC 14.2.0, jax 0.4.25, ORCA 6.0.0, OpenFOAM 12 + v2406, R 4.4.1,
SciPy-bundle 2024.05, WRF 4.5.1, and many more;
- bug fixes/enhanchements/changes to easyblocks/easyconfigs that
require reinstallation (more info below, marked with (***));
Highlights for this release are listed below. More details are available
in the release notes [2] which includes links to the respective pull
requests for more detailed information.
(this information is also available at
https://github.com/easybuilders/easybuild/releases/tag/easybuild-v4.9.3)
## Highlighted enhancements & updates
[enhancements or updates that (may) warrant updating existing
installations are marked with (***)]
- add support for --extra-source-urls to fetch sources from additional URLs;
- use Intel's oneAPI Fortran compiler by default for version 2024.0.0
and newer;
- enhancements to generic easyblocks: Cargo, JuliaPackage, PythonBundle,
PythonPackage, RPackage, RubyGem;
- (***) enhance custom easyblock for GCC to use with-arch option for
nvptx with 13.1+;
- additional updates & enhancements to custom easyblocks for Bazel,
binutils, Boost, ESMF, Extrae, Geant4, MCR, impi, LAMMPS, OpenFOAM,
ORCA, psmpi, PETSc, PyTorch, QuantumESPRESSO, Tensorflow, Tkinter;
- (***) add additional extensions to R-bundle-CRAN easyconfigs [3];
- (***) add Qt support to VTK 9.3.0;
- (***) also build & install the plugins with OpenFOAM v2406;
## Prominent bug fixes & changes
[bug fixes or changes that (may) warrant re-installing easyconfigs are
marked with (***)]
- (***) patch ctypes for Python installations when filtering
LD_LIBRARY_PATH + fix path to ldconfig when using alternate sysroot ;
- merge of the ConfigureMake and CMakeMake versions of the easyblock for
QuantumESPRESSO;
- bug fixes in generic easyblocks: Cargo, CargoPythonPackage,
PythonBundle, PythonPackage;
- bug fixes in custom easyblocks for ANSYS, EasyBuild, Extrae, impi,
OCaml, OpenFOAM, OpenMPI, OpenSSL_wrapper, PALM, Python, WPS;
- (***) add patch to fix implicit function declaration in OpenMPI 4.1.4;
- (***) disable auto-vectorizer (-ftree-vectorize) for OpenFOAM v10 +
v11 when using toolchain that with GCC >= 11;
- (***) add patch for HDF5 v1.14.3 to suppress fp exceptions;
- (***) fix easyconfigs for recent versions of QuantumESPRESSO;
- (***) add patch to fix Qt6 issues with ParaView v5.12.0, e.g.
representation selection;
- fix download URLs for old Intel software (2018-2023) by using IRC_NAS
instead of irc_nas;
## Supported software
Support for installing 107 (!) new software packages has been added,
including (but not limited to):
absl-py
BayesOpt
CORSIKA
dictys
EGA-QuickView
fish
Flax
GPflow
HERRO
LRBinner
MAGIC
MBX
nifty
OpenForceField-Toolkit
PEcAn
pyMBE
Sagemath
SharedMeatAxe
Single-cell-python-bundle
torch-em
Visit
Zoltan
This brings the total number of supported software packages to 3,656
(excluding extensions)!
An up-to-date list of supported software is available at [4].
Various software updates have been added, including (but not limited to):
AlphaPulldown 2.0.0b4
AmberTools 26.3
Arrow 16.1.0
Biopython 1.84
CUDA 12.5.0 + 12.6.0
CellOracle 0.18.0
Clang 18.1.8
cutadapt 4.9
dorado 0.7.3
Extrae 4.2.0
FFmpeg 7.0.2
GCC 14.2.0
GDAL 3.9.0
GLM 1.0.1
GPAW 24.6.0
genomepy 0.16.1
Highway 1.2.0
IQ-TREE 2.3.5
jax 0.4.25
LLVM 18.1.8
MPICH 4.2.1
MariaDB 11.6.0
Mesa 24.1.3
matplotlib 3.9.2
NanoCaller 3.6.0
ORCA 6.0.0
OpenFOAM 12 + v2406
Optax 0.2.2
Perl-bundle-CPAN 5.38.2
Pillow-SIMD 10.4.0
PostgreSQL 16.4
PyAEDT 0.9.9
PyWavelets 1.7.0
Pygments 2.18.0
Python-bundle-PyPI 2024.06
pyGenomeTracks 3.9
QuantumESPRESSO 7.3.1
R-bundle-CRAN 2024.06
R 4.4.1
RDKit 2024.03.3,
ReFrame 4.6.2
Rust 1.79.0
SciPy-bundle 2024.05
SeqKit 2.8.2
SingleM 0.16.0
SuiteSparse 7.7.0
TELEMAC-MASCARET 8p5r0
UCX-CUDA 1.16.0
WRF 4.5.1
X11 20240607
XGBoost 2.1.1
xarray 2024.5.0
These changes result from various contributions, made by 33 different
contributors:
* 31 merged pull requests for EasyBuild framework;
* 52 merged pull requests for easyblocks;
* 367 merged pull requests for easyconfigs;
Thanks to everyone who contributed to this release in one way or another!
To upgrade to EasyBuild v4.9.3, there are several options [5].
Two particularly easy options include:
* eb --install-latest-eb-release
* eb --from-pr 21412 # use easyconfig from PR #21412 [6]
Enjoy!
regards,
Kenneth & Miguel
[1] https://pypi.org/project/easybuild/4.9.3
[2] https://docs.easybuild.io/release-notes/#release_notes_eb493
[3]
https://docs.easybuild.io/partial-installations/#partial_installation_skip
[4] https://docs.easybuild.io/version-specific/supported-software
[5] https://docs.easybuild.io/installation/#updating
[6] https://github.com/easybuilders/easybuild-easyconfigs/pull/21412
