Merge branch 'v2.9'

plumed · Jun 13, 2024 · 2e07dd1 · 2e07dd1 · PlumedBot · Jun 13, 2024
2 parents 3c15aa7 + 5273edf
commit 2e07dd1
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diff --git a/CHANGES/v2.9.md b/CHANGES/v2.9.md
@@ -58,3 +58,7 @@ Changes from version 2.8 which are relevant for users:
 - Includes all fixes up to 2.8.4
 - Fixed a size check in python interface when passing native arrays.
 
+## Version 2.9.2 (tba)
+  - Patch for GROMACS 2023 updated to the latest version
+  - new patch for GROMACS 2024 
+
diff --git a/patches/gromacs-2024.2.config b/patches/gromacs-2024.2.config
@@ -10,6 +10,11 @@ cat << EOF
 PLUMED can be incorporated into gromacs using the standard patching procedure.
 Patching must be done in the gromacs root directory  _before_ the cmake command is invoked.
 
+PLUMED is not compatible with the internal multi-threading implementation of GROMACS so you need
+to configure gromacs as
+
+cmake -DGMX_THREAD_MPI=OFF and add -DGMX_MPI=ON if you want to use MPI.
+
 On clusters you may want to patch gromacs using the static version of plumed, in this case
 building gromacs can result in multiple errors. One possible solution is to configure gromacs
 with these additional options: