{2023.06}[2023a] aiida-core v2.7.2 + aiida-shell v0.8.2

[Crivella]

Requires hook for Graphviz from

• Add hook to restore filtered deps for Graphviz software-layer-scripts#148

[Crivella]

Since we didn't have this in yet I've updated it to use the latest version of aiida-core and aiida-shell

In particular this is very beneficial as, since version 2.6.0, aiida has been capable of running without requiring and external rabbitmq (postgres was already not required in 2.5.0) and also it offer a single line command to setup a profile instead of the previous more convoluted process

[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/2026.01/pr_1334/126012

date	job status	comment
Jan 29 15:53:07 UTC 2026	submitted	job id 126012 awaits release by job manager
Jan 29 15:54:05 UTC 2026	released	job awaits launch by Slurm scheduler
Jan 29 15:55:07 UTC 2026	running	job 126012 is running
Jan 29 17:02:34 UTC 2026	finished	😁 SUCCESS (click triangle for details) Details ✅ job output file slurm-126012.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-zen2-17697059070.tar.zst size: 70 MiB (74272574 bytes) entries: 41425 modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all aiida-core/2.7.2-foss-2023a.lua aiida-shell/0.8.2-foss-2023a.lua aiohttp/3.8.5-GCCcore-12.3.0.lua ASE/3.22.1-gfbf-2023a.lua bcrypt/4.0.1-GCCcore-12.3.0.lua boto3/1.28.70-GCCcore-12.3.0.lua Graphviz/8.1.0-GCCcore-12.3.0.lua GTS/0.7.6-GCCcore-12.3.0.lua paramiko/3.2.0-GCCcore-12.3.0.lua plotly.py/5.16.0-GCCcore-12.3.0.lua plumpy/0.25.0-GCCcore-12.3.0.lua psycopg/3.2.1-GCCcore-12.3.0.lua pydantic/2.5.3-GCCcore-12.3.0.lua pymatgen/2023.12.18-foss-2023a.lua scikit-build-core/0.5.0-GCCcore-12.3.0.lua setuptools/80.9.0-GCCcore-12.3.0.lua spglib-python/2.1.0-gfbf-2023a.lua uncertainties/3.1.7-foss-2023a.lua software under 2023.06/software/linux/x86_64/amd/zen2/software aiida-core/2.7.2-foss-2023a aiida-shell/0.8.2-foss-2023a aiohttp/3.8.5-GCCcore-12.3.0 ASE/3.22.1-gfbf-2023a bcrypt/4.0.1-GCCcore-12.3.0 boto3/1.28.70-GCCcore-12.3.0 Graphviz/8.1.0-GCCcore-12.3.0 GTS/0.7.6-GCCcore-12.3.0 paramiko/3.2.0-GCCcore-12.3.0 plotly.py/5.16.0-GCCcore-12.3.0 plumpy/0.25.0-GCCcore-12.3.0 psycopg/3.2.1-GCCcore-12.3.0 pydantic/2.5.3-GCCcore-12.3.0 pymatgen/2023.12.18-foss-2023a scikit-build-core/0.5.0-GCCcore-12.3.0 setuptools/80.9.0-GCCcore-12.3.0 spglib-python/2.1.0-gfbf-2023a uncertainties/3.1.7-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
Jan 29 17:02:34 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: 445.517 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: 456.516 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: 2.61 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: 5.8 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: 5.75 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: 0.9 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: 0.73 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: 6465.0 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: 6425.05 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-126012.out ✅ no message matching ERROR: ✅ no message matching [\s*FAILED\s*].*Ran .* test case