Dear EasyBuilders,
We're pleased to announce the release of EasyBuild v4.9.1 [1].
We had to bump the version for this one, because it's the best EasyBuild
release so far!
EasyBuild v4.9.1 is primarily a bugfix & update release, but it also
includes various enhancements.
The executive summary for this release:
- Support for --from-commit and --include-easyblocks-from-commit;
- 1 new sofware-specific easyblocks for DualSPHysics;
- Support for installing 101 (!) new software applications, tools,
and libraries;
- Easyconfigs for various recent software versions, including CuPy
13.0.0, Gurobi 11.0.0, OCaml 4.14.0, OpenFOAM v2312, ParaView-5.12.0, R
4.3.3, R-bundle-Bioconductor 3.18, WIEN2k 23.2, and many more;
- Fixes/changes to easyblocks/easyconfigs that require
reinstallation, including for GCC, OpenMPI, and Python (more info below);
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-v4.9.1)
## Highlighted enhancements & updates
[enhancements or updates that (may) warrant updating existing
installations are marked with (***)]
- new software-specific easyblock for DualSPHysics;
- enhancement to generic easyblocks: Conda, GoPackage, PerlModule,
PythonPackage;
- updated & enhancements to custom easyblocks for Clang-AOMP, GCC,
Gurobi, LAMMPS, MCR, OCaml, OpenSSL wrapper, PyTorch, VEP, WIEN2k;
- (***) significant improvements to QuantumESPRESSO easyblock, incl.
running the test suite;
- enhancements to GCC easyblock and additional patch for recent GCC
versions to support installation on RISC-V systems;
- (***) add extensions to R-bundle-CRAN v2023.12 (use '--rebuild --skip'
[3]);
- (***) add support for Vulkan software rendering in Mesa v23.1.9 by
adding Wayland dependency;
- (***) add MODIStsp extension (+ required dependencies) to R 4.2.2 (use
'--rebuild --skip' [3]);
## Prominent bug fixes & changes
[bug fixes or changes that (may) warrant re-installing easyconfigs are
marked with (***)]
- bug fixes for generic easyblocks: Cargo, CMakeMake,
- bug fixes in custom easyblocks for BerkeleyGW, Clang, LAMMPS, LibInt,
NVHPC, OpenFOAM, OpenMPI, PETSc, Python, PyTorch, QuantumESPRESSO, R,
SLEPc, torchvision;
- (***) fix link order in PETSc easyblock for SCOTCH >= 7.x;
- (***) do not rename GCC's include-fixed directory by default + add
script to regenerate it;
Re-installing GCC 13.2.0 is required to ensure compatibility with
CUDA 12.4.0, see easyblocks PR #3254 for more info.
- (***) add patch for adding a write memory barrier to all OpenMPI 4.1.x
easyconfigs, to bug in smcuda component;
We recommend re-installing OpenMPI 4.1.x to pick up this fix.
- (***) add patch to fix tree-optimization bug in GCC 12.3.0 + 13.1.0 +
13.2.0 for ARM architectures with SVE support;
- (***) add patch for GCCcore 13.2.0 to fix unguarded use of
is_convertible builtin;
- add patch to fix multiarch support for RISC-V to all GCCcore 12.x and
13.x easyconfigs;
- (***) move setuptools_scm extension from hatchling to Python easyconfig;
We strongly recommend to install the missing extensions for
Python/3.11.3-GCCcore-12.3.0 and Python/3.11.3-GCCcore-12.3.0 using "eb
--rebuid --skip" (or the reinstall these modules) [3].
- add patches for PyTorch v2.1.2 to fix test failures;
- add patch to fix PyTorch 1.12.x and 1.13.x for Linux 6+;
- (***) add missing zlib + OpenSSL deps to Ruby easyconfigs + promote
binutils to runtime dependency;
## Supported software
Support for installing 101 (!) new software packages has been added,
including (but not limited to):
AMICA
Circlator
Clarabel.rs
DeepLoc
devbio-napari
EpiSCORE
ExtremeLy
GenomeComb
GRASP-suite
IDG
IonQuant
libspectre
MLflow
MSFragger
noise
PAGAN2
phyluce
python-casacore
QuPath
RHEIA
SemiBin
Sentence-Transformers
SQLAlchemy
Vamb
zUMIs
=> This brings the total number of supported software packages to
3,470 (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):
anvio 8
arrow-R 14.0.0.2
BerkeleyGW 3.1.0 + 4.0
Cartopy 0.22.0
Clang-Python-bindings 16.0.6
CUDA 12.3.2 + 12.4.0
CuPy 13.0.0
CVXPY 1.4.2
DeepLabCut 2.3.6
EggLib 3.3.0
ESMF 8.4.2
FDS 6.8.0
Flask 3.0.0
FLINT 3.1.1
GATK 4.5.0.0
GLFW 3.4
GROMACS 2024.1
Gurobi 11.0.0
HeFFTe 2.4.0
LAMMPS 2Aug2023_update2
likwid 5.3.0
matplotlib 3.8.2
medaka 1.11.3
MOABB 1.0.0
MONAI 1.3.0
NCCL 2.20.5
NGSpeciesID 0.3.0
NLTK 3.8.1
NVHPC 24.1
OCaml 4.14.0
ONNX 1.15.0
OpenFOAM v2306 + v2312
OpenSSL/3 (wrapper)
PAPI 7.1.0
ParaView 5.12.0
PETSc 3.20.3
plotly.py 5.18.0
PyQt5 5.15.10
PyTables 3.9.2
pytest-rerunfailures 14.0
python-irodsclient 2.0.0,
PyTorch-Lightning 2.2.1
Qt5 5.15.13
Qt6 6.6.3
QuantumESPRESSO 7.3
R 4.3.3
R-bundle-Bioconductor 3.18
rMATS-turbo 4.2.0
Ruby 3.3.0
Rust 1.76.0
scikit-learn 1.4.0
Score-P 8.4,
SLEPc 3.20.1
timm 0.9.7
VEP 111
WIEN2k 23.2
wrf-python 1.3.4.1
YODA 1.9.9
These changes result from various contributions, made by 34 different
contributors:
* 28 merged pull requests for EasyBuild framework
* 43 merged pull requests for easyblocks
* 575 (!) merged pull requests for easyconfigs
Thanks to everyone who contributed to this release in one way or another!
To upgrade to EasyBuild v4.9.1, there are several options [5].
Two particularly easy options include:
* eb --install-latest-eb-release
* eb --from-pr 20299 # use easyconfig from PR #20299 [6]
Enjoy!
regards,
Kenneth & Miguel
[1] https://pypi.org/project/easybuild/4.9.1
[2] https://docs.easybuild.io/release-notes/#release_notes_eb491
[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/20299
