add hook for building GROMACS on NVIDIA Grace CPUs with hwloc support

eb_hooks.py

@@ -1503,6 +1503,18 @@ def pre_test_hook_exclude_failing_test_Highway(self, *args, **kwargs):
         self.cfg['runtest'] += ' ARGS="-E TestAllSumOfLanes"'
 
 
+def pre_test_hook_gromacs(self, *args, **kwargs):
+    """
+    Solve GROMACS test failure on NVIDIA Grace CPUs when hwloc support is enabled.
+    """
+    cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR')
+    if self.name == 'GROMACS':
+        if self.version < '2026.3' and cpu_target == CPU_TARGET_NVIDIA_GRACE:
+            self.cfg['pretestopts'] = 'export HWLOC_KEEP_NVIDIA_GPU_NUMA_NODES=0 && '
+    else:
+        raise EasyBuildError("GROMACS-specific hook triggered for non-GROMACS easyconfig?!")
+
+
 def pre_test_hook_ignore_failing_tests_ESPResSo(self, *args, **kwargs):
     """
     Pre-test hook for ESPResSo: skip failing tests, tests frequently timeout due to known bugs in ESPResSo v4.2.1
@@ -2079,6 +2091,7 @@ def post_easyblock_hook(self, *args, **kwargs):
 PRE_TEST_HOOKS = {
     'ESPResSo': pre_test_hook_ignore_failing_tests_ESPResSo,
     'FFTW.MPI': pre_test_hook_ignore_failing_tests_FFTWMPI,
+    'GROMACS': pre_test_hook_gromacs,
     'Highway': pre_test_hook_exclude_failing_test_Highway,
     'LAMMPS': pre_test_hook_lammps_ignore_failure_arm_generic,
     'SciPy-bundle': pre_test_hook_ignore_failing_tests_SciPybundle,