From 188ada7a49a0a441fbe443eb8b685f66a8fd1af4 Mon Sep 17 00:00:00 2001
From: Nicolas Richart <nicolas.richart@epfl.ch>
Date: Thu, 24 Apr 2025 13:41:13 +0200
Subject: [PATCH] Adding newer gromacs with newer plumed to get drr working
---
stacks/pinot-noir/definitions_stack.yaml | 2 +-
stacks/pinot-noir/packages_stack.yaml | 1 +
2 files changed, 2 insertions(+), 1 deletion(-)
diff --git a/stacks/pinot-noir/definitions_stack.yaml b/stacks/pinot-noir/definitions_stack.yaml
index bb46d72..6e8bcff 100644
--- a/stacks/pinot-noir/definitions_stack.yaml
+++ b/stacks/pinot-noir/definitions_stack.yaml
@@ -257,7 +257,7 @@ definitions:
- cgal
- cp2k ++mpi +plumed +openmp smm=blas
- fenics-dolfinx
- - gromacs ++mpi +plumed
+ - gromacs@2024.3 ++mpi +plumed
- iq-tree@1.6.12++mpi
- lammps
- neuron ++mpi +python
diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml
index f3851e9..e7e2c51 100644
--- a/stacks/pinot-noir/packages_stack.yaml
+++ b/stacks/pinot-noir/packages_stack.yaml
@@ -280,6 +280,7 @@ packages:
plumed:
require: ['optional_modules=all', '+gsl', '+mpi']
+ prefer: ['@2.9.0'] # to not reinstall new versions of all dependents
python:
require:
--
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