{2023.06}[foss-2023a] Siesta 5.4.2

[AnthoniAlcaraz]

Adding Siesta 5.4.2 to EESSI 2023.06.

If this is ok, can we include the latest version of Siesta 5.4.2 instead of rebuild Siesta 5.2.2? #1535

[casparvl]

If that installation is 'broken' in any way, we should rebuild it anyway imho - what do you think @boegel ? (I cannot really judge how 'broken' that installation is)

If you're interested in Siesta 5.4.2, we can of course also add that - but then I would suggest adding it to EESSI/2025.06 (newer toolchain, and will probably stick around longer). I see there is an EasyConfig for Siesta-5.4.2-foss-2025a.eb at least. Unless you have a particular reason for wanting it in 2023.06?

Edit: I see there we have Siesta/5.4.2-foss-2024a already. In that case I see little reason to add it just for the newer toolchain :) Let's wait for @boegel 's response regarding the rebuild, but my proposal would be to close this PR - unless you have a particular reason for wanting this version also in 2023.06.

[AnthoniAlcaraz]

There is no a particular reason, since siesta 5.2.2 exists in eessi 2023.06 (rebuild need it), maybe it's a good option to include the latest release into this version of eessi. Siesta 5.4.2 is included in eessi 2025.06...

[casparvl]

Ok, we discussed this in our support meeting. We see no strong reasons against (also) having it in 2023.06, even if most people could probably just use the 2025.06 installation. Let's see if this builds without issues - if so, we go ahead and deploy it.

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2026.06/pr_1537/169725

date	job status	comment
Jun 23 11:21:35 UTC 2026	submitted	job id 169725 awaits release by job manager
Jun 23 11:22:24 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 23 11:30:39 UTC 2026	running	job 169725 is running
Jun 23 11:37:03 UTC 2026	finished	😢 FAILURE (click triangle for details) Details ✅ job output file slurm-169725.out ✅ no message matching FATAL: ❌ found message matching ERROR: ✅ no message matching FAILED: ✅ no message matching required modules missing: ❌ no message matching No missing installations ✅ found message matching .tar.* created! Artefacts eessi-2023.06-software-linux-x86_64-amd-zen2-17822142620.tar.zst size: 0 MiB (22 bytes) entries: 0 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all no module files in tarball software under 2023.06/software/linux/x86_64/amd/zen2/software no software packages in tarball reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod no reprod directories in tarball other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Jun 23 11:37:03 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86-64-zen2+default P: perf: 448.949 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86-64-zen2+default P: perf: 455.211 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86-64-zen2+default P: latency: 3.13 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86-64-zen2+default P: latency: 2.86 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86-64-zen2+default P: latency: 6.01 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86-64-zen2+default P: latency: 5.88 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86-64-zen2+default P: latency: 0.7 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86-64-zen2+default P: latency: 0.88 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86-64-zen2+default P: bandwidth: 6360.16 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86-64-zen2+default P: bandwidth: 6357.03 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-169725.out ❌ found message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case

[casparvl]

ERROR: Failed to parse easystack file: expected a dictionary with one key (the EasyConfig name), instead found keys: Siesta-5.4.2-foss-2023a.eb, options, see https://docs.easybuild.io/en/latest/Easystack-files.html for documentation.

My bad, I should have looked at this more carefully. This options thing should be indented with two more spaces (and then the from-commit should also be further indented of course). Compare with e.g. https://github.com/EESSI/software-layer/blob/main/easystacks/software.eessi.io/2023.06/eessi-2023.06-eb-5.2.0-2023a.yml

I'll fix it myself, hope you don't mind. That way I can at least start another build :)

[casparvl]

bot: build repo:eessi.io-2023.06-software instance:eessi-bot-mc-aws for:arch=x86_64/amd/zen2

[eessi-bot-aws]

New job on instance eessi-bot-mc-aws for repository eessi.io-2023.06-software
Building on: amd-zen2
Building for: x86_64/amd/zen2
Job dir: /project/def-users/SHARED/jobs/2026.06/pr_1537/169726

date	job status	comment
Jun 23 15:38:11 UTC 2026	submitted	job id 169726 awaits release by job manager
Jun 23 15:39:07 UTC 2026	released	job awaits launch by Slurm scheduler
Jun 23 15:40:19 UTC 2026	running	job 169726 is running
Jun 23 16:27:16 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-169726.out ✅ no message matching FATAL: ✅ no message matching ERROR: ✅ no message matching FAILED: ✅ no message matching required modules missing: ✅ found message(s) matching No missing installations ✅ found message matching .tar.* created! Artefacts eessi-2023.06-software-linux-x86_64-amd-zen2-17822316750.tar.zst size: 60 MiB (63133609 bytes) entries: 299 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all Siesta/5.4.2-foss-2023a.lua software under 2023.06/software/linux/x86_64/amd/zen2/software Siesta/5.4.2-foss-2023a reprod directories under 2023.06/software/linux/x86_64/amd/zen2/reprod no reprod directories in tarball other under 2023.06/software/linux/x86_64/amd/zen2 no other files in tarball
Jun 23 16:27:16 UTC 2026	test result	😁 SUCCESS (click triangle for details) ReFrame Summary [ OK ] ( 1/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/29Aug2024-foss-2023b-kokkos %scale=1_node /aeb2d9df @BotBuildTests:x86-64-zen2+default P: perf: 446.285 timesteps/s (r:0, l:None, u:None) [ OK ] ( 2/10) EESSI_LAMMPS_lj %device_type=cpu %module_name=LAMMPS/2Aug2023_update2-foss-2023a-kokkos %scale=1_node /04ff9ece @BotBuildTests:x86-64-zen2+default P: perf: 453.422 timesteps/s (r:0, l:None, u:None) [ OK ] ( 3/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /775175bf @BotBuildTests:x86-64-zen2+default P: latency: 3.26 us (r:0, l:None, u:None) [ OK ] ( 4/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_allreduce %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /52707c40 @BotBuildTests:x86-64-zen2+default P: latency: 2.79 us (r:0, l:None, u:None) [ OK ] ( 5/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node %device_type=cpu /b1aacda9 @BotBuildTests:x86-64-zen2+default P: latency: 5.73 us (r:0, l:None, u:None) [ OK ] ( 6/10) EESSI_OSU_coll %benchmark_info=mpi.collective.osu_alltoall %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node %device_type=cpu /c6bad193 @BotBuildTests:x86-64-zen2+default P: latency: 6.04 us (r:0, l:None, u:None) [ OK ] ( 7/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /15cad6c4 @BotBuildTests:x86-64-zen2+default P: latency: 0.7 us (r:0, l:None, u:None) [ OK ] ( 8/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_latency %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /6672deda @BotBuildTests:x86-64-zen2+default P: latency: 0.72 us (r:0, l:None, u:None) [ OK ] ( 9/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.2-gompi-2023b %scale=1_node /2a9a47b1 @BotBuildTests:x86-64-zen2+default P: bandwidth: 6329.42 MB/s (r:0, l:None, u:None) [ OK ] (10/10) EESSI_OSU_pt2pt_CPU %benchmark_info=mpi.pt2pt.osu_bw %module_name=OSU-Micro-Benchmarks/7.1-1-gompi-2023a %scale=1_node /1b24ab8e @BotBuildTests:x86-64-zen2+default P: bandwidth: 6313.98 MB/s (r:0, l:None, u:None) [ PASSED ] Ran 10/10 test case(s) from 10 check(s) (0 failure(s), 0 skipped, 0 aborted) Details ✅ job output file slurm-169726.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case