Dear EasyBuilders,
It's our pleasure to announce the release of EasyBuild v4.6.2 [1].
This is beyond any doubt the best EasyBuild release ever!
Don't let anyone tell you otherwise, even if they point out some things
that are not working for them as expected (they're probably just holding
it wrong)...
The executive summary for this release:
- various minor bug fixes for EasyBuild framework;
- various bug fixes and enhancements to existing easyconfigs and
easyblocks, including for fixes for GCC 11.x + 12.x and recent OpenBLAS
versions;
- additional easyconfigs for various recent software versions:
IPython v8.5.0, OpenCV v4.6.0, OpenMM v7.7.0, Perl v5.36.0, PyTorch
v1.12.0, SAMtools v1.16.1, ...;
- support for installing 25 new software applications and libraries;
EasyBuild v4.6.2 is primarily a bugfix and update release, but it also
includes various minor enhancements.
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-v4.6.2)
## Highlighted enhancements
[enhancements that (may) warrant updating existing installations are
marked with (***)]
- enable running of LAPACK tests for recent OpenBLAS easyconfigs;
- 2 new software-specific easyblocks: CUDA compatibility libraries
(CUDAcompat) + mamba;
- updates and enhancements for various software-specific easyblocks:
OpenFOAM, ESMF, netCDF, numexpr;
- enhance EasyBuildMeta easyblock: auto-enable installing with pip;
## Prominent bug fixes & changes
[bug fixes or changes that (may) warrant reinstalling easyconfigs are
marked with (***)]
- (***) add patch to GCC 11.x + 12.x to fix vectorizer bug;
- (***) add patch to fix failing LAPACK tests due to use of
-ftree-vectorize;
- correctly count the number of failing tests (not failing test suites)
in PyTorch builds;
- (***) add patches to fix incompatibilites between ASE and other
packages in 2022a toolchain;
- (***) fix execution permissions for bin/ngm* for NextGenMap v0.5.5;
- (***) add bzip2 and libxml2 as dependencies for netCDF 4.9.0;
- (***) add patch to detect available cores and remove unneeded deps for
Unicycler 0.5.0;
- make --inject-checksums inject dictionary value for checksums which
maps filename to SHA256 checksum;
- fix trying to generate RPATH wrappers for Clang;
- update easyconfigs to use SYSTEM template constant instead of True in
dependencies;
## Supported software
New version of intel toolchain: intel/2022.09
Support for installing 25 new software packages has been added,
including (but not limited to):
AMAPVox
buildingspy
CDBtools
f90wrap
Miller
NVSHMEM
paladin
PyMOL
python-irodsclient
ruffus
TELEMAC-MASCARET
x13as
=> This brings the total number of supported software packages to
2,798 (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):
ASE 3.22.1
biogeme 3.2.10
Delly 1.1.5
ESMF 8.3.0
FDS 6.7.9
Go 1.18.3
GPAW 22.8.0
IPython 8.5.0
Julia 1.8.2
LIBSVM 3.30
netcdf4-python 1.6.1
Nipype 1.8.5,
OpenCV 4.6.0
OpenMM 7.7.0
Perl 5.36.0
PyTorch 1.12.0
PyTorch-Lightning 1.7.7
RDFlib 6.2.0
SAMtools 1.16.1
scikit-learn 1.1.2
Score-P 7.1
SuiteSparse 5.13.0
SUNDIALS 6.3.0
sympy 1.11.1
torchvision 0.13.1
TRIQS 3.1.1
UCX 1.13.1
VEP 107
Wayland 1.21.0
wxWidgets 3.2.1
These changes result from various contributions, made by 24 different
contributors:
* 17 merged pull requests for EasyBuild framework
* 20 merged pull requests for easyblocks
* 159 merged pull requests for easyconfigs
Thanks to everyone who contributed to this release in one way or another!
To upgrade to EasyBuild v4.6.2, there are several options [5].
Two particularly easy options include:
* eb --install-latest-eb-release
* eb --from-pr 16465 # use easyconfig from PR #16465 [6]
Enjoy!
regards,
Kenneth & Miguel
[1] https://pypi.org/project/easybuild/4.6.2
[2]
https://docs.easybuild.io/en/latest/Release_notes.html#easybuild-v4-6-2-october-21st-2022
[3]
https://docs.easybuild.io/en/latest/Partial_installations.html#installing-additional-extensions-using-k-skip
[4]
https://docs.easybuild.io/en/latest/version-specific/Supported_software.html
[5]
https://docs.easybuild.io/en/latest/Installation.html#updating-an-existing-easybuild-installation
[6] https://github.com/easybuilders/easybuild-easyconfigs/pull/16465
