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Conference call notes 20231220
Kenneth Hoste edited this page Dec 20, 2023
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(back to Conference calls)
Notes on the 236th EasyBuild conference call, Wednesday 20 Dec 2023 (16:00 UTC)
List of attendees (11):
- Simon Branford (Univ. of Birmingham, UK)
- Alex Domingo (Vrije Universiteit Brussel, Belgium)
- Jasper Grimm (University of York, UK)
- Kenneth Hoste (HPC-UGent, Belgium)
- Kurt Lust (UAntwerpen, Belgium + LUMI User Support Team)
- Sam Moors (Vrije Universiteit Brussel, Belgium)
- Sébastien Moretti (SIB, Switzerland)
- Mikael Öhman (Chalmers University of Technology, Sweden)
- Jure Pečar (EMBL, Heidelberg, Germany)
- Jörg Saßmannshausen (Imperial College London, UK)
- Alexandre Strube (JSC, Germany)
- overview of recent developments
- 2023b update of common toolchains
- Q&A
- latest EasyBuild release: 4.8.2 (29 Oct 2023)
- ETA for next EasyBuild release (v4.9.0): Dec'23 (ASAP)
- ETA for EasyBuild 5.0 release: first release of 2024?
- started doing short sprint meetings, each Monday at 10:00 CE(S)T to set next 5 goals to tackle that week
- monthly sync meetings every 1st Wed of the month at 14:00 CE(S)T: next today Wed 6 Dec'23 at 14:00 CET
- see also https://hackmd.io/tZtz6vMmRfGL6N9Rf__OEA
- recent changes
-
docs (merged PRs)
- introduce role-focused landing pages (PR #231)
-
framework (merged PRs)
- bug fixes
- enhancements
-
changes
- ...
-
EasyBuild 5.0 (to
5.0.x
branch)-
bug fixes
- ...
-
changes
- ...
-
bug fixes
- easyblocks (merged PRs)
-
easyconfigs (merged PRs)
- ~80 easyconfig PRs were merged since last conf call
- bug fixes
-
enhancements
- ...
-
(noteworthy) new software
- ...
- noteworthy software updates
- changes
- use
GCC
rather thanGCCcore
toolchain forkim-api
(cfr. PR #19399 & co)- required because
kim-api
installation includes Fortran modules
- required because
- use
-
EasyBuild 5.0 (to
5.0.x
branch)- ...
-
docs (merged PRs)
- work-in-progress
-
docs (open PRs + issues)
- project board to perform yearly review cycle of all documentation pages: https://github.com/orgs/easybuilders/projects/17/views/1
-
framework (open PRs + issues)
- reported bugs / bug fixes
-
enhancements
- add support for
--list-software --output-format=json
(PR #4152)- see also WIP docs PR #233 to add json version data to docs
- also run
test_cases
with--sanity-check-only
(PR #4399) - add terse support to
--missing-modules
(PR #4407) - make
is_rpath_wrapper
faster by only checking file contents if file is not located in subdirectory of RPATH wrapper subdirectory #4406 (PR #4406)
- add support for
-
changes
- drop load storm safe guard for Environment Modules v4.2.4+ (PR #4373)
-
EasyBuild 5.0 (to
5.0.x
branch)
-
easyblocks (open PRs + issues)
- bug reports/fixes
- fix extension filter for Perl packages (PR #2699)
-
easyconfigs PR #18789 is a big step towards merging this, but there are other easyconfigs that needs to be tested first, like
XML-LibXML
,worker
,GD
, ...
-
easyconfigs PR #18789 is a big step towards merging this, but there are other easyconfigs that needs to be tested first, like
- add requirement for EULA acceptance to CUDA easyblock (PR #3045)
- implementation of CMake policy error for Python (PR #3055)
- fix SuiteSparse path in numpy, Trilinos, PETSc easyblocks (PR #3056)
- fixes issue #3051
- fix
det_pylibdir
provided byPythonPackage
easyblock for Python 3.12+ (PR #3057)
- fix extension filter for Perl packages (PR #2699)
- enhancements
- add custom easyconfig parameter
cmake_options
to SuiteSparse easyblock (PR #3031)- revised after review, probably ready to merge?
- see also easyconfigs PR #19177
- update KOKKOS_CPU_MAPPING for AArch64 in LAMMPS (WIP PR #3036)
- refactor GAMESS-US easyblock to directly write install.info (v2) (PR #3047)
- gets rid of Q&A install procedure, generates install.info file instead
- there's some version mixup in the corresponding easyconfigs PR #19310?
- at ComputeCanada this is done via the
MakeCp
easyblock, see here - is there a reason why we wouldn't use huge values for
maxcpus
andmaxnodes
? - GAMESS-US requires OpenBLAS with 64-bit integers
- relates to Jasper's old PR for OpenBLAS easyblock, see easyblocks PR #2753
- add custom easyconfig parameter
- updates
- new easyblocks
-
changes
- ...
-
EasyBuild 5.0 (to
5.0.x
branch)- enable
download_dep_fail
,use_pip
,sanity_pip_check
by default inPythonPackage
easyblock (PR #3022)- needs some tests to make sure nothing is horribly broken (but should be fine)
- follow-up is needed in easyconfigs, to:
- clean up easyconfigs in
5.0.x
branch that now setuse_pip
& co toTrue
(see easyconfigs PR #19265) - explicitly set
use_pip
& co toFalse
in (non-archived) easyconfig that currently don't specify them at all (which should be a minimal set of easyconfigs)
- clean up easyconfigs in
- convert generic easyblocks to
run_shell_cmd
(PR #3046)
- enable
- bug reports/fixes
-
easyconfigs (open PRs + issues)
- bug fixes/reports
- move cmake options to easyblock and support customizing
cmake_options
for SuiteSparse-7.1.0 (PR #19177)
- move cmake options to easyblock and support customizing
- enhancements
- ...
-
new software
- ...
- noteworthy software updates
- changes
- ...
-
EasyBuild 5.0 (to
5.0.x
branch)- clean up easyconfigs that explicitly set
use_pip
,sanity_pip_check
anddownload_dep_fail
(PR #19265)
- clean up easyconfigs that explicitly set
- closed PRs
- ...
- bug fixes/reports
-
docs (open PRs + issues)
-
2023b
toolchains should be included in EasyBuild 4.9.0 release- candidate toolchains are merged, ready for more extensive testing of "big" apps
- most significant change is jump to GCC 13.x
-
foss/2023.09
(PR #18886) - candidate forfoss/2023b
- GCC 13.2.0 + binutils 2.40
- OpenMPI 4.1.6 (+ UCX 1.15.0, PMIx 4.2.6, libfabric 1.19.0)
- FlexiBLAS 3.3.1 (+ OpenBLAS 0.3.24)
- FFTW 3.3.10
- ScaLAPACK 2.1.0
-
intel/2023.07
(PR #18439) - candidate forintel/2023b
- GCC 13.2.0 + binutils 2.40
- intel-compilers 2023.2.1
- impi 2021.10.0
- imkl 2023.2.0
- testing
- OSU-Micro-Benchmarks (foss in PR #18893)
- SciPy-bundle (numpy, scipy)
- keep an eye out for need for
CargoPythonBundle
- keep an eye out for need for
- GROMACS (C++)
- OpenFOAM (C++)
- requires ParaView, Qt5, etc.
- should we keep building on top of ParaView (only needed for paraFoam utility)?
- installing paraFoam stand-alone is a PITA
- paraFoam isn't actually used when running OpenFOAM simulations
- CP2K (Fortran)
- check if Qt6 can be used (probably not yet)
- Qt5 (WIP PR #19320)
- sticking to Python 3.11.5, not using Python 3.12 yet since that's likely going to be painful
- Mikael saw a strange compilation with GCC 13.2 for assimp (dep for Qt6)
- latest NCCL does not support GCC 13.x yet, but next patch release should
- CUDA 12.3.0 should support GCC 13.2.0
- releasing 2023b implies deprecating 2020b
- that means no more need for Intel license server to test PRs... \o/
- Merry Christmas!
- More info on EasyBuild User Meeting 2024 soon...