From 14f3f03b625a9723611dedb0d0c63905535b92b3 Mon Sep 17 00:00:00 2001
From: Samuel Moors <samuel.moors@vub.be>
Date: Tue, 16 Nov 2021 15:34:23 +0100
Subject: [PATCH 1/2] add option to ignore PLUMED version check for GROMACS

---
 easybuild/easyblocks/g/gromacs.py | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/easybuild/easyblocks/g/gromacs.py b/easybuild/easyblocks/g/gromacs.py
index 343a63f353..77cc29df05 100644
--- a/easybuild/easyblocks/g/gromacs.py
+++ b/easybuild/easyblocks/g/gromacs.py
@@ -67,6 +67,7 @@ def extra_options():
             'mpiexec': ['mpirun', "MPI executable to use when running tests", CUSTOM],
             'mpiexec_numproc_flag': ['-np', "Flag to introduce the number of MPI tasks when running tests", CUSTOM],
             'mpi_numprocs': [0, "Number of MPI tasks to use when running tests", CUSTOM],
+            'ignore_plumed_version_check': [False, "Ignore the version compatibility check for PLUMED", CUSTOM],
         })
         extra_vars['separate_build_dir'][0] = True
         return extra_vars
@@ -202,8 +203,13 @@ def configure_step(self):
 
             (out, _) = run_cmd("plumed-patch -l", log_all=True, simple=False)
             if not re.search(engine, out):
-                raise EasyBuildError("There is no support in PLUMED version %s for GROMACS %s: %s",
-                                     get_software_version('PLUMED'), self.version, out)
+                msg = "There is no support in PLUMED version %s for GROMACS %s: %s" % (
+                    get_software_version('PLUMED'), self.version, out
+                )
+                if self.cfg['ignore_plumed_version_check']:
+                    self.log.warning(msg)
+                else:
+                    raise EasyBuildError(msg)
 
             # PLUMED patching must be done at different stages depending on
             # version of GROMACS. Just prepare first part of cmd here

From ecee423de969aa9964fc377708f0774b24a3300c Mon Sep 17 00:00:00 2001
From: Samuel Moors <samuel.moors@vub.be>
Date: Wed, 24 Nov 2021 11:36:19 +0100
Subject: [PATCH 2/2] improve formatting

---
 easybuild/easyblocks/g/gromacs.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/easybuild/easyblocks/g/gromacs.py b/easybuild/easyblocks/g/gromacs.py
index 77cc29df05..67eec7b826 100644
--- a/easybuild/easyblocks/g/gromacs.py
+++ b/easybuild/easyblocks/g/gromacs.py
@@ -203,9 +203,8 @@ def configure_step(self):
 
             (out, _) = run_cmd("plumed-patch -l", log_all=True, simple=False)
             if not re.search(engine, out):
-                msg = "There is no support in PLUMED version %s for GROMACS %s: %s" % (
-                    get_software_version('PLUMED'), self.version, out
-                )
+                plumed_ver = get_software_version('PLUMED')
+                msg = "There is no support in PLUMED version %s for GROMACS %s: %s" % (plumed_ver, self.version, out)
                 if self.cfg['ignore_plumed_version_check']:
                     self.log.warning(msg)
                 else: