Dear EasyBuilders,
We're happy to announce the release of EasyBuild v4.6.0 [1].
Guess what: this is the best EasyBuild release so far (trust us, we
checked).
By tradition, the world is trying hard to distract you from this event
once more, with incompetent people finally quitting their job (or are
they?), lots of people suddenly not replying to emails or messages
anymore for days or even weeks on end for some reason, etc.
To counter that a bit, we figured to make this a slightly more prominent
release (v4.6.0 as opposed to another 4.5.x version).
The executive summary for this release:
- updated common toolchains: foss/2022a and intel/2022a;
- small enhancements/changes to the EasyBuild framework, including:
- support for opting in to using the Intel oneAPI compilers;
- a more robust 'eb' wrapper script;
- don't create .orig files when applying patches by default anymore;
- various bug fixes and enhancements to existing easyconfigs and
easyblocks;
- easyconfigs for various recent software versions: AlphaFold v2.2.2,
PyTorch v1.11.0, R v4.2.1, TensorFlow v2.7.1, ...
- support for installing 24 new software applications and libraries;
EasyBuild v4.6.0 is primarily a feature release, but it also includes
various minor bug fixes, enhancements, and updates.
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-v4.6.0)
## Highlighted enhancements
[enhancements that (may) warrant updating existing installations are
marked with (***)]
- add support for OneAPI compilers using toolchain option 'oneapi';
- add support for setting environment variables via 'pushenv' with
modextravars;
- fall back to sequential extension install if parallel install is not
implemented;
- one new software-specific custom easyblock for STAR-CCM+;
- updates and enhancements for various software-specific easyblocks:
FFTW, Libint, OpenSSL, Siesta, TensorFlow, WPS;
- add support for allowing some PyTorch tests to fail + print warning if
one or more tests fail;
- easyconfigs for foss/2022a and intel/2022a common toolchains;
- see also
https://docs.easybuild.io/en/latest/Common-toolchains.html#overview-of-common-toolchains;
- (***) additional extensions for R v4.2.0 [3];
- (***) add patch for GCCcore 11.3.0 to support using -fuse-ld=mold;
## Prominent bug fixes & changes
[bug fixes or changes that (may) warrant reinstalling easyconfigs are
marked with (***)]
- tweak 'eb' wrapper script to correctly handle errors when python
command being considered fails to run;
- tweak is_patch_for function to make it more robust;
- tweak apply_patch function to not create .orig files (by default) when
applying patch files;
- make sure that CMakeMakeCp generic easyblock uses correct build dir;
- make VEP easyblock compatible with --sanity-check-only;
- only load temporary module file during sanity check for pybind11 for
stand-alone installations, so it can be installed as extension;
- switch to Rust 1.60.0 build dependency for bamtofastq, since build
fails with Rust 1.52.1;
- (***) avoid that pygmo v2.18.0 installs stuff in Python installation
directory + add custom sanity check paths to pygmo easyconfigs;
- (***) correct configopts in deal.II v9.1.1 easyconfig;
## Supported software
Support for installing 24 new software packages has been added,
including (but not limited to):
fio
G-PhoCS
Gibbs2
Minipolish
NetPyNE
SISSO
sklearn-pandas
SWIPE
topaz
uncertainty-calibration
=> This brings the total number of supported software packages to
2,736 (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):
AlphaFold 2.2.2
Arrow 8.0.0
CellRanger 7.0.0
deal.II 9.3.3
FSL 6.0.5.1
GDAL 3.5.0
geopandas 0.11.0
GEOS 3.10.3
h5py 3.7.0
HDF5 1.13.1
ImageMagick 7.1.0-37
jemalloc 5.3.0
Leptonica 1.82.0
libRmath 4.2.0
libxc 5.2.3
MaSuRCA 4.0.9
mold 1.3.0
netCDF 4.9.0
NEURON 7.8.2
NLopt 2.7.1
nvtop 2.0.2
PLUMED 2.8.0,
PRISMS-PF 2.2
PROJ 9.0.0
PyTorch 1.11.0
Qt5 5.15.5
QuantumESPRESSO 7.1
R 4.2.1
Ray-project 1.13.0
ReFrame 3.11.2
SpectrA 1.0.1
TensorFlow 2.7.1
UCX-CUDA 1.12.1
WPS 3.9.1
These changes result from various contributions, made by 24 different
contributors:
* 17 merged pull requests for EasyBuild framework
* 17 merged pull requests for easyblocks
* 149 merged pull requests for easyconfigs
Thanks to everyone who contributed to this release in one way or another!
To upgrade to EasyBuild v4.6.0, there are several options [5].
Two particularly easy options include:
* eb --install-latest-eb-release
* eb --from-pr 15832 # use easyconfig from PR #15832 [6]
Enjoy!
regards,
Kenneth & Sebastian
[1] https://pypi.org/project/easybuild/4.6.0
[2]
https://docs.easybuild.io/en/latest/Release_notes.html#easybuild-v4-6-0-july-8th-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/15832
