Update GROMACS documentation for GROMACS 2025

.github/actions/spelling/allow.txt

@@ -181,6 +181,7 @@ gitlab
 gmail
 gpt
 gpu
+gromacs
 gromos
 groundstate
 gsl

docs/software/sciapps/gromacs.md

@@ -14,9 +14,20 @@ It is primarily designed for biochemical molecules like proteins, lipids and nuc
     [GROMACS] is provided on [Alps][ref-alps-platforms] via [uenv][ref-uenv].
     Please have a look at the [uenv documentation][ref-uenv] for more information about uenvs and how to use them.
 
-## Licensing terms & conditions
+??? note "Licensing terms and conditions"
 
-GROMACS is a joint effort, with contributions from developers around the world: users agree to acknowledge use of GROMACS in any reports or publications of results obtained with the Software (see [GROMACS Homepage](https://www.gromacs.org/about.html) for details).
+    GROMACS is a joint effort, with contributions from developers around the world: users agree to acknowledge use of GROMACS in any reports or publications of results obtained with the Software (see [GROMACS Homepage](https://www.gromacs.org/about.html) for details).
+
+!!! note "Changelog"
+
+    !!! note "2025.0:v1"
+
+        * Updated to GROMACS 2025
+        * Unified view for GROMACS and PLUMED
+            * Only a single `gromacs` view is provided, which exposes both GROMACS 2025 and PLUMED 2.10.0.
+        * PLUMED links to PyTorch 2.8.0 (non-distributed version)
+        * Patched GROMACS 2025 to fix [gromacs#5292](https://gitlab.com/gromacs/gromacs/-/issues/5292)
+        * Patched PLUMED 2.10.0 with [plumed#1313](https://github.com/plumed/plumed2/pull/1313)
 
 ## Key features
 
@@ -115,6 +126,19 @@ This submission script is only representative. Users must run their input files
     - Given the compute throughput of each Grace-Hopper module (single CPU+GPU), **for smaller-sized problems, it is possible that a single-GPU run is the fastest**. This may happen when the overheads of domain decomposition, communication and orchestration exceed the benefits of parallelism across multiple GPUs. In our test cases, a single Grace-Hopper module (1 CPU+GPU) has consistently shown a 6-8x performance speedup over a single node on Piz Daint (Intel Xeon Broadwell + P100).
     - Try runs with and without specifying the GPU IDs explicitly with `-gpu_id 0123`. For the multi-node case, removing it might yield the best performance.
 
+### PLUMED
+
+The PLUMED interface looks for the `PLUMED_KERNEL` environment variable, which should contain the path and the name of a shared object containing the PLUMED kernel (usually called `libplumedKernel.so`). Make sure to appropriately set this variable before running GROMACS.
+
+!!! tip "Find `libplumedKernel.so`"
+
+    After loading a view providing PLUMED, you can find the path to the PLUMED kernel shared object by running the following command:
+    ```bash
+    find /user-environment/ -name libplumedKernel.so -type f
+    ```
+
+    Using `-type f` excludes the different symbolic links generated by the different views.
+
 ## Scaling
 
 Benchmarking is done with large MD simulations of systems of 1.4 million and 3 million atoms, in order to fully saturate the GPUs, from the [HECBioSim Benchmark Suite](https://www.hecbiosim.ac.uk/access-hpc/hpc-benchmarking-suite).