Dear EasyBuilders,
We're happy to announce the release of EasyBuild v4.9.0 [1].
This is a the best EasyBuild release to date...
It's a bit late for Christmas, but still in time to serve as a gift for
New Year!
EasyBuild v4.9.0 is primarily a feature release, mainly because it
includes the 2023b version of the common toolchains (foss + intel), but
it also includes various bug fixes, and much more.
The executive summary for this release:
- improved support for using recent version of Environment Modules as
modules tool;
- new generic CargoPythonBundle easyblock;
- 3 new custom easyblocks: for flook, HPCC, and PALM;
- easyconfigs for foss/2023b and intel/2023b;
- Easyconfigs for various recent software versions, including GROMACS
2023.3, NWChem 7.2.2, Python-bundle-PyPI 2023.10, PyTorch 2.1.2, R
4.3.2, SciPy-bundle 2023.11, Spark 3.5.0, VTK 9.3.0, ...;
- Support for installing 77 new software applications and libraries;
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-v4.9.0)
## Highlighted enhancements & updates
[enhancements or updates that (may) warrant updating existing
installations are marked with (***)]
- add generic CargoPythonBundle easyblock;
- 3 new software-specific easyblocks for flook, HPCC, PALM;
- update easyblocks for intel-compilers, impi, imkl to support latest
versions;
- update numpy easyblock for v1.26+;
- updates and enhancements to custom easyblocks for Ferret, SuiteSparse;
- add easyconfigs for foss/2023b and intel/2023b (see also [7]);
## Prominent bug fixes & changes
[bug fixes or changes that (may) warrant re-installing easyconfigs are
marked with (***)]
- fix support for Environment Modules as modules tool to pass unit tests
with v4.2+;
- adapt module function check for Environment Modules v4+;
- disable LLVM build downloads from CI in Rust;
- update SuiteSparse easyblock to only install SuiteSparse libraries
with make install;
- fix specifying path to SuiteSparse header files and libraries in
numpy, Trilinos, PETSc easyblocks;
- add support for allowing version mismatch + consider versionsuffix
when creating .modulerc in ModuleRC easyblock;
- fix det_pylibdir provided by PythonPackage easyblock for Python 3.12+;
- bug fixes for custom easyblocks for Clang, CUDA, numpy, NWChem, PETSc,
PyTorch, Rust, SuiteSparse, TensorFlow, Trilinos
- add patch to fix regression in GCC 12.x on AVX512 systems (***);
- add patch for GCC 12.x to fix miscompiling C++ code causing
double-free in case of exceptions (***);
- add patch to fix detection of newer Intel CPUs in OpenBLAS 0.3.20
through 0.3.23;
- fix OpenBLAS 0.3.20+ on newer Intel CPUs;
- add patch to fix [cz]asums in OpenBLAS 0.3.24 (***);
- add patch to work around potential crash in PyTorch 1.13.1 caused by
GCC 12 compiler bug (***);
- change toolchain in json-fortran easyconfigs to GCC, since it includes
Fortran modules (***);
- use GCC toolchain in kim-api, since it includes Fortran modules (***);
- allow ITK legacy code and Python wrappers in ITK v5.2.1 (***);
## Supported software
Support for installing 77 new software packages has been added,
including (but not limited to):
BRiAl
CellBender
DIA-NN
EUKulele
FACE
GFF3-toolkit
HPCC
iperf
LoopTools
MitoHiFi
PFFT
PySINDy
R-bundle-CRAN
scikit-lego
SEACells
solo
Triton
waLBerla
=> This brings the total number of supported software packages to
3,369 (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):
Arrow 14.0.1
Boost 1.83.0
CellRanger 7.2.0
CUDA 12.3.0
f90wrap 0.2.11
FPM 1.15.1
GPyTorch 1.10
GROMACS 2023.3
ITK 5.3.0,
LinBox 1.7.0
magma 2.7.2,
Molden 7.3
NWChem 7.2.2
phonopy 2.20.0
PostgreSQL 16.1,
Python-bundle-PyPI 2023.10
PyTorch 2.1.2
R 4.3.2
SciPy-bundle 2023.11
Seurat 4.4.0
Spark 3.5.0
SuiteSparse 7.1.0
UCX-CUDA 1.15.0
VTK 9.3.0
XGBoost 2.0.2
These changes result from various contributions, made by 34 different
contributors:
* 21 merged pull requests for EasyBuild framework
* 26 merged pull requests for easyblocks
* 276 merged pull requests for easyconfigs
Thanks to everyone who contributed to this release in one way or another!
To upgrade to EasyBuild v4.9.0, there are several options [5].
Two particularly easy options include:
* eb --install-latest-eb-release
* eb --from-pr 19464 # use easyconfig from PR #19464 [6]
Enjoy!
regards,
Kenneth & Sebastian
[1] https://pypi.org/project/easybuild/4.9.0
[2] https://docs.easybuild.io/release-notes/#release_notes_eb490
[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/19464
[7] https://docs.easybuild.io/common-toolchains/#common_toolchains_overview
