From 6ade6770ef1ad6e7ce5f9b16338c47ba7aeb287f Mon Sep 17 00:00:00 2001 From: trz42 <12829274+trz42@users.noreply.github.com> Date: Wed, 1 Jul 2026 14:44:42 +0000 Subject: [PATCH] update overview of available software --- docs/available_software/detail/GROMACS.md | 3 ++- mkdocs.yml | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/docs/available_software/detail/GROMACS.md b/docs/available_software/detail/GROMACS.md index 77bde8fbad..b0bb8e279a 100644 --- a/docs/available_software/detail/GROMACS.md +++ b/docs/available_software/detail/GROMACS.md @@ -59,6 +59,7 @@ 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: `neoverse_n1`, `neoverse_v1`
AMD: `zen2`, `zen3`, `zen4`, `zen5`
Intel: `haswell`, `skylake_avx512`, `sapphirerapids`, `icelake`, `cascadelake`
|NVIDIA: `cc100`, `cc120`, `cc70`, `cc80`, `cc90`
|2025.06|`GROMACS/2026.2-foss-2025b-CUDA-12.9.1`| |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`| @@ -79,6 +80,6 @@ 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-CUDA-12.9.1`
`GROMACS/2025.4-foss-2025b`| +|0.5.0a1|`GROMACS/2026.2-foss-2025b-CUDA-12.9.1`
`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/mkdocs.yml b/mkdocs.yml index c8e9fcac3f..71e29b627d 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: "Thu, 25 Jun 2026 at 14:39:52 UTC" + generated_time: "Wed, 01 Jul 2026 at 14:44:40 UTC" slack_invite_url: "https://join.slack.com/t/eessi-hpc/shared_invite/zt-2wg10p26d-m_CnRB89xQq3zk9qxf1k3g" extra_javascript: # mermaid diagram