Hi Kenneth, Kenneth Hoste <kenneth.ho...@ugent.be> writes:
> Dear EasyBuilders, > > We're happy to announce the release of EasyBuild v4.6.1 [1]. > > An independent jury of experts thoroughly evaluated this release, and reached > the unanimous conclusion that this is the best EasyBuild release to date! I am sure it is the best release ever, but I currently can't install it on CentOS 7 :-( I get the error ModuleNotFoundError: No module named 'Crypto' Via EPEL I can install python36-pycryptodomex but this installs it modules in the namespace 'Cryptodome', rather than 'Crypto'. I can probably just symlink 'Cryptodome' to 'Crypto', but is there a less hacky option? Cheers, Loris > As usual, there's a lot of attempts to distract you from this, including > soaring > gas prices, granting rest to The Queen, and a Belgian 22-year old brat winning > the Vuelta (w00! \o/). What will they think of next... > > The executive summary for this release: > > - various minor bug fixes for EasyBuild framework; > - various bug fixes and enhancements to existing easyconfigs and easyblocks; > - easyconfigs for various recent software versions: GATE v9.2, Graphviz > v5.0.0, LAMMPS v23Jun2022, OpenFOAM v2206, ... > - support for installing 37 new software applications and libraries; > > > EasyBuild v4.6.1 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-v4.6.1) > > ## Highlighted enhancements > > [enhancements that (may) warrant updating existing installations are marked > with > (***)] > > - run python in the same process as eb wrapper script by using exec (which > improves startup performance of eb command); > > - reduce the number of command line options for cmake command in CMakeMake > generic easyblock; > > - enhance PythonPackage easyblock to make sure all test command output makes > it > to the EasyBuild log, also when return_output_ec=True is used; > > - updates and enhancements for various software-specific easyblocks: GROMACS, > LAMMPS, libQGLViewer, NVHPC, PyTorch; > > - (***) add extra symlinks and sanity checks for libtinfo in ncurses; > > - speed up OpenMPI 4.1.4 configure by not running autogen.pl --force, but only > running required Autotools commands; > > > ## Prominent bug fixes & changes > > [bug fixes or changes that (may) warrant reinstalling easyconfigs are marked > with (***)] > > - use det_cmake_version function to determine CMake version in CMakeMake > generic > easyblock (rather than assuming that CMake is loaded as a build dependency); > > - don’t enable building of ld.gold when installing binutils on a RISC-V > system + > don’t configure GCC to use gold as default linker on a RISC-V system; > > - make Amber easyblock aware of FlexiBLAS; > > - tweak Amber(Tools) easyblock to run tests from top-level directory, and > enable > running of tests for AmberTools v20 + v21; > > - work around miscompilation of OpenBLAS on POWER by compiling with > -fstack-protector-strong; > > - various fixes for installing PyTorch on POWER systems; > > - (***) replace HDF5 v1.13.1 with v1.12.1 as dependency, since we shouldn’t > use > odd minor versions of HDF5 which are not stable releases; > > - (***) use versioned symbols in ncurses built with system toolchain (by > adding > --with-versioned-syms configure option); > > - (***) add CVE patch for XZ 5.2.5 + attempt to fix symbol patch for all OSs; > > - (***) add patch for AlphaFold v2.2.2 to fix NaN problem with jax 0.3.9; > > - simplify AlphaFold foss/2021a easyconfigs by using a fleshed out patched > OpenMM dependency; > > - (***) add patch to fix missing sync in LINCS and SETTLE CUDA kernels for > GROMACS 2020 and 2021; > > - (***) fix checksum for Stacks v2.62 (due to silent re-release without > version > bump); > > - (***) consistently add maeparser + CoordgenLibs dependencies to OpenBabel > 3.1.1 easyconfigs; > > - (***) update Java/11 to 11.0.16 and Java/17 to 17.0.4; > > > > ## Supported software > > Support for installing 37 new software packages has been added, including (but > not limited to): > > BigDFT > colossalai > Dakota > FastFold > how_are_we_stranded_here > libmad > MetaMorpheus > muMerge > olaFlow > OpenFAST > OpenFold > pyGenomeTracks > RheoTool > Satsuma2 > UCC-CUDA > VESTA > > => This brings the total number of supported software packages to 2,773 > (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): > > AmberTools 22.3 > BCFtools 1.15.1 > binutils 2.39 > BLAST+ 2.13.0 > CDO 2.0.5 > CoordgenLibs 3.0.1, > Elk 8.5.2, > FFmpeg 4.4.2 + 5.0.1 > FreeSurfer 7.3.2 > GATE 9.2 > GCC(core) 12.2.0 > GDB 12.1 > gnuplot 5.4.4 > Graphviz 5.0.0 > HDF5 1.12.2 > HTSlib 1.15.1 > Hypre 2.25.0, > jax 0.3.14, > LAMMPS 23Jun2022 > Libint 2.7.2 > maeparser 1.3.0 > matplotlib 3.5.2 > MATSim 14.0 > medaka 1.6.0 > Megalodon 2.5.0 > MetaEuk 6, > MUMPS 5.5.1 > netCDF-Fortran 4.6.0 > ont-remora 1.0.0 > OpenFOAM v2206 > ParaView 5.10.1 > Perl 5.36.0 > Pyomo 6.4.2 > PyStan 3.5.0 > PyYAML 6.0 > scikit-bio 0.5.7 > scikit-learn 1.1.2 > SCOTCH 7.0.1 > spglib-python 2.0.0 > SUMO 1.14.1 > Valgrind 3.19.0 > ViennaRNA 2.5.1 > wxPython 4.1.1 > zfp 1.0.0 > > > These changes result from various contributions, made by 25 different > contributors: > > * 16 merged pull requests for EasyBuild framework > * 20 merged pull requests for easyblocks > * 266 merged pull requests for easyconfigs > > > Thanks to everyone who contributed to this release in one way or another! > > > To upgrade to EasyBuild v4.6.1, there are several options [5]. > Two particularly easy options include: > > * eb --install-latest-eb-release > > * eb --from-pr 16240 # use easyconfig from PR #16240 [6] > > > Enjoy! > > > regards, > > Kenneth & Miguel > > > [1] https://pypi.org/project/easybuild/4.6.1 > [2] > https://docs.easybuild.io/en/latest/Release_notes.html#easybuild-v4-6-1-september-12th-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/16240 > -- Dr. Loris Bennett (Herr/Mr) ZEDAT, Freie Universität Berlin Email loris.benn...@fu-berlin.de
