From 13b6afd10c96221534c4e74f4d04d573feb34951 Mon Sep 17 00:00:00 2001 From: trz42 <12829274+trz42@users.noreply.github.com> Date: Sat, 13 Jun 2026 04:11:24 +0000 Subject: [PATCH] update overview of available software --- docs/available_software/detail/Cabana.md | 3 ++- docs/available_software/detail/ESPResSo.md | 1 + docs/available_software/detail/GROMACS.md | 3 ++- docs/available_software/detail/HighFive.md | 3 ++- docs/available_software/detail/Kokkos.md | 5 +++-- docs/available_software/detail/SPH-EXA.md | 3 ++- mkdocs.yml | 2 +- 7 files changed, 13 insertions(+), 7 deletions(-) diff --git a/docs/available_software/detail/Cabana.md b/docs/available_software/detail/Cabana.md index c0699a93e2..27d8b53671 100644 --- a/docs/available_software/detail/Cabana.md +++ b/docs/available_software/detail/Cabana.md @@ -78,4 +78,5 @@ simulation. |Cabana version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | -|0.7.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`Cabana/0.7.0-foss-2025a`| \ No newline at end of file +|0.7.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`Cabana/0.7.0-foss-2025a`| +|0.7.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2023.06|`Cabana/0.7.0-foss-2023b`| \ No newline at end of file diff --git a/docs/available_software/detail/ESPResSo.md b/docs/available_software/detail/ESPResSo.md index 8578496b03..f0f10cec60 100644 --- a/docs/available_software/detail/ESPResSo.md +++ b/docs/available_software/detail/ESPResSo.md @@ -39,6 +39,7 @@ A software package for performing and analyzing scientific Molecular Dynamics si |ESPResSo version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | |5.0.1|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`ESPResSo/5.0.1-foss-2025a`| +|5.0.1|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2023.06|`ESPResSo/5.0.1-foss-2023b`| |4.2.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`ESPResSo/4.2.2-foss-2025a`| |4.2.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2023.06|`ESPResSo/4.2.2-foss-2023b`| |4.2.2|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc70`, `cc80`, `cc90`
|2023.06|`ESPResSo/4.2.2-foss-2023a-CUDA-12.1.1`| diff --git a/docs/available_software/detail/GROMACS.md b/docs/available_software/detail/GROMACS.md index 888bb3d5ae..77bde8fbad 100644 --- a/docs/available_software/detail/GROMACS.md +++ b/docs/available_software/detail/GROMACS.md @@ -60,6 +60,7 @@ It also contains the gmxapi extension for the single precision MPI build. |GROMACS version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | |2026.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`GROMACS/2026.2-foss-2025b`| +|2025.4|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc100`, `cc120`, `cc70`, `cc80`, `cc90`
|2025.06|`GROMACS/2025.4-foss-2025b-CUDA-12.9.1`| |2025.4|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`GROMACS/2025.4-foss-2025b`| |2025.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`GROMACS/2025.2-foss-2025a`| |2024.4|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc70`, `cc80`, `cc90`
|2023.06|`GROMACS/2024.4-foss-2023b-CUDA-12.4.0`| @@ -78,6 +79,6 @@ Overview of extensions included in GROMACS installations |`gmxapi` version|GROMACS modules that include it| | --- | --- | -|0.5.0a1|`GROMACS/2026.2-foss-2025b`
`GROMACS/2025.4-foss-2025b`| +|0.5.0a1|`GROMACS/2026.2-foss-2025b`
`GROMACS/2025.4-foss-2025b-CUDA-12.9.1`
`GROMACS/2025.4-foss-2025b`| |0.5.0|`GROMACS/2024.1-foss-2023b`| |0.4.2|`GROMACS/2025.2-foss-2025a`
`GROMACS/2024.4-foss-2023b-CUDA-12.4.0`
`GROMACS/2024.4-foss-2023b`
`GROMACS/2024.3-foss-2023b-PLUMED-2.9.2`
`GROMACS/2024.3-foss-2023b`| \ No newline at end of file diff --git a/docs/available_software/detail/HighFive.md b/docs/available_software/detail/HighFive.md index 7702c39f56..07a9745a9b 100644 --- a/docs/available_software/detail/HighFive.md +++ b/docs/available_software/detail/HighFive.md @@ -38,4 +38,5 @@ HighFive is a modern, user-friendly, header-only, C++14 interface for libhdf5. |HighFive version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | -|3.3.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`HighFive/3.3.0-gompi-2025a`| \ No newline at end of file +|3.3.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`HighFive/3.3.0-gompi-2025a`| +|3.3.0|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2023.06|`HighFive/3.3.0-gompi-2023b`| \ No newline at end of file diff --git a/docs/available_software/detail/Kokkos.md b/docs/available_software/detail/Kokkos.md index a5787199fe..8eeff792b5 100644 --- a/docs/available_software/detail/Kokkos.md +++ b/docs/available_software/detail/Kokkos.md @@ -41,7 +41,7 @@ json_ld: ratingValue: 5 softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available on your system - softwareVersion: '[''5.0.2'']' + softwareVersion: '[''5.0.2'', ''4.7.01'']' url: https://kokkos.org/ --- # Kokkos @@ -63,4 +63,5 @@ backends in development. |Kokkos version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | -|5.0.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`Kokkos/5.0.2-GCC-14.2.0`| \ No newline at end of file +|5.0.2|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2025.06|`Kokkos/5.0.2-GCC-14.2.0`| +|4.7.01|`generic`: `aarch64`, `x86_64`
Arm: `a64fx`, `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|*(none)*|2023.06|`Kokkos/4.7.01-GCC-13.2.0`| \ No newline at end of file diff --git a/docs/available_software/detail/SPH-EXA.md b/docs/available_software/detail/SPH-EXA.md index 54079324c9..8ba2d6a928 100644 --- a/docs/available_software/detail/SPH-EXA.md +++ b/docs/available_software/detail/SPH-EXA.md @@ -40,4 +40,5 @@ json_ld: |SPH-EXA version|Supported CPU targets|Supported GPU targets|EESSI version|Module| | --- | --- | --- | --- | --- | -|0.96.2|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc100`, `cc120`, `cc70`, `cc80`, `cc90`
|2025.06|`SPH-EXA/0.96.2-foss-2025b-CUDA-12.9.1`| \ No newline at end of file +|0.96.2|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc100`, `cc120`, `cc70`, `cc80`, `cc90`
|2025.06|`SPH-EXA/0.96.2-foss-2025b-CUDA-12.9.1`| +|0.96.2|`generic`: `aarch64`, `x86_64`
Arm: `neoverse_n1`, `neoverse_v1`, `nvidia/grace`
AMD: `zen2`, `zen3`, `zen4`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc70`, `cc80`, `cc90`
|2023.06|`SPH-EXA/0.96.2-foss-2023b-CUDA-12.4.0`| \ No newline at end of file diff --git a/mkdocs.yml b/mkdocs.yml index db6b1aa68f..41cfad722f 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -215,7 +215,7 @@ extra: - icon: fontawesome/brands/twitter link: https://twitter.com/eessi_hpc # this gets auto-updated via update_generated_time.sh script run in update_available_software.yml action - generated_time: "Fri, 12 Jun 2026 at 15:23:53 UTC" + generated_time: "Sat, 13 Jun 2026 at 04:11:23 UTC" slack_invite_url: "https://join.slack.com/t/eessi-hpc/shared_invite/zt-2wg10p26d-m_CnRB89xQq3zk9qxf1k3g" extra_javascript: # mermaid diagram