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EasyBuild v4.4.1
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@boegel boegel released this 06 Jul 13:07
· 222 commits to develop since this release
easybuild-v4.4.1
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EasyBuild v4.4.1 is primarily a bugfix and update release, but also includes several minor enhancements.

Highlights for this release are listed below. More details are available in the release notes which includes links to the respective pull requests for more detailed information.

Highlighted enhancements

(enhancements that (may) warrant updating existing installations are marked with (***))

  • add per-step timing information in standard output of eb command;

  • add new hook that triggers right before writing generated module file (module_write_hook);

  • add ignore-test-failure configuration option to ignore failing test step;

  • enhance ConfigureMake generic easyblock to add support for building multiple build targets;

  • 5 new custom easyblocks, for AOMP, FreeFEM, NCCL (built from source), torchvision, and UCX plugins;

  • update custom easyblock for Boost to always build single and multi threaded versions;

  • (***) enhance sitecustomize.py in Python easyblock to support overriding core Python packages, and allowing overriding in virtualenv;

  • (***) updates & enhancements for various custom easyblocks, incl. Amber, Clang, FFTW, Hypre, intel-compiler, Java, OpenSSL wrapper, Perl, Python, XALT, Xmipp;

  • (***) additional extensions for recent R easyconfigs;

Prominent bug fixes & changes

(bug fixes or changes that (may) warrant reinstalling easyconfigs are marked with (***))

  • add comment with test report in right location when combining --from-pr and --include-easyblocks-from-pr;

  • fix crash when copying modules that were imported in easyconfig file (like import os);

  • (***) fix location for modules installed with intel-compilers toolchain in HierarchicalMNS;

  • don’t make changes to software installation directory when using --sanity-check-only;

  • honour specified easyblock for extensions;

  • change Bundle easyblock to also collect altroot and altversion in the module step so they are set when running --module-only;

  • (***) bug fixes for various custom easyblocks, incl. GCC, intel-compilers, NVHPC, TensorFlow, VEP;

  • (***) set minimal OpenSSL version to 1.1.1 for OpenSSL v1.1 wrapper;

  • (***) add patch for GCC 10.2.0 to fix internal compiler error on aarch64;

  • (***) add missing rgdal dependency to R-INLA;

  • (***) add patch to fix uniq operation in TensorFlow 2.4.1;

  • (***) add patch for recent GCCcore versions to fix compatibility with CUDA 11;

  • (***) avoid using PMIx from system instead of PMIx dependency specified via --with-pmix for OpenMPI 4.x;

  • (***) add patch for GCCcore 10.3.0 to prevent issues when compiling with nvcc;

Other changes

  • deprecate EasyBuild bootstrap script;

  • rework the dependency handling of OpenMPI to use explicit configure options to disable features if required dependency is not provided;

    • side effect of this is that you need to add --with-ucx yourself if you want to build OpenMPI on top of a system provided UCX!

  • (***) switch to NCCL 2.8.3 built from source for CuPy, Horovod, libgpuarray, PyTorch and TensorFlow using fosscuda/2020b;

  • cleanup of easyconfigs for (bundles) of Python packages: remove default PYPI_SOURCE source URLs + use PythonBundle rather than Bundle easyblock;

Supported software

Support for installing 39 new software packages has been added, including (but not limited to):

  • AOMP
  • dSFMT
  • FreeFEM
  • futhark
  • GenomeWorks
  • hipify-clang
  • microctools
  • Nektar++
  • OpenMM-PLUMED
  • phototonic
  • PyFoam
  • RECON
  • UCX-CUDA
  • Vala

This brings the total number of supported software packages to 2,388!
An up-to-date list of supported software is available here.

Various software updates have been added, including (but not limited to):

  • Amber 20.11
  • Bonito 0.4.0
  • DOLFIN 2019.1.0.post0
  • ELPA 2021.05.001
  • FDS 6.7.6
  • GCC 8.4.0 + 9.4.0
  • GDAL 3.3.0
  • Go 1.16.5
  • GSL 2.7
  • h5py 3.2.1
  • Horovod 0.22.0
  • Hypre 2.21.0
  • IPython 7.25.0
  • LDC 1.26.0
  • libxc 5.1.5
  • medaka 1.4.3
  • MUMPS 5.4.0
  • NCCL 2.9.9
  • netCDF 4.8.0
  • Nim 1.4.8
  • nodejs 14.17.0
  • numba 0.53.1
  • NVHPC 21.5
  • Octave 6.2.0
  • petsc4py 3.12.0
  • PySCF 1.7.6
  • PyTorch 1.9.0
  • R 4.0.5 + R 4.1.0
  • ReFrame 3.6.2
  • Ruby 3.0.1
  • Score-P 7.0
  • Subread 2.0.2
  • SuiteSparse 5.10.1
  • sympy 1.8
  • TensorFlow 2.5.0
  • VMD 1.9.4a51
  • Z3 4.8.11

These changes result from various contributions, made by 23 different contributors:

  • 27 merged pull requests for EasyBuild framework
  • 41 merged pull requests for easyblocks
  • 268 merged pull requests for easyconfigs

Thanks to everyone who contributed to this release in one way or another!

To upgrade to EasyBuild v4.4.1, there are several options.
Two particularly easy options include:

  • eb --install-latest-eb-release

  • eb --from-pr 13344 # use easyconfig from PR #13344

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