Skip tests that require gpus when crosscompiling Siesta

Author: laraPPr

easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml

@@ -0,0 +1,2 @@
+easyconfigs:
+  - Siesta-5.4.2-foss-2024a-CUDA-12.6.0.eb

eb_hooks.py

@@ -18,7 +18,7 @@
 from easybuild.tools.filetools import apply_regex_substitutions, copy_dir, copy_file, remove_file, symlink, which
 from easybuild.tools.modules import get_software_root, get_software_root_env_var_name
 from easybuild.tools.run import run_cmd
-from easybuild.tools.systemtools import AARCH64, POWER, X86_64, det_parallelism, get_cpu_architecture, get_cpu_features
+from easybuild.tools.systemtools import AARCH64, POWER, X86_64, det_parallelism, get_cpu_architecture, get_cpu_features, get_gpu_info
 from easybuild.tools.toolchain.compiler import OPTARCH_GENERIC
 from easybuild.tools.toolchain.toolchain import is_system_toolchain
 from easybuild.tools.version import VERSION as EASYBUILD_VERSION
@@ -1705,6 +1705,23 @@ def pre_test_hook_ignore_failing_tests_OpenBabel_a64fx(self, *args, **kwargs):
         self.cfg['testopts'] = "|| echo ignoring failing tests"
 
 
+def pre_test_hook_Siesta_ignore_failure_with_crosscompilation(self, *args, **kwargs):
+    """
+    Ignore failing tests when crosscompiling without gpu pressent.
+    """
+    if self.name == 'Siesta': 
+        if self.version in ['5.4.2']:
+            cuda_cc = build_option('cuda_compute_capabilities')
+            if cuda_cc and not get_gpu_info(): 
+                failing_tests=[
+                    "Solvers-si-qdot-elsi-elpa-gpu_mpi4_omp1", # runs cuda get device
+                    "Solvers-si-qdot-elsi-elpa-1stage-gpu_mpi4_omp1", # runs cuda get device
+                    "Solvers-si-qdot-elpa-native-gpu_mpi4_omp1", # runs cuda get device
+                    "Solvers-si-qdot-elpa-native-1stage-gpu_mpi4_omp1", # runs cuda get device
+                ]
+                self.cfg['testopts'] = self.cfg['testopts'][:-1] + "|" + "|".join(failing_tests) + "'"
+
+
 def pre_single_extension_hook(ext, *args, **kwargs):
     """Main pre-extension: trigger custom functions based on software name."""
     if ext.name in PRE_SINGLE_EXTENSION_HOOKS:
@@ -2118,6 +2135,7 @@ def post_easyblock_hook(self, *args, **kwargs):
     '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,
+    'Siesta': pre_test_hook_Siesta_ignore_failure_with_crosscompilation,
     'netCDF': pre_test_hook_ignore_failing_tests_netCDF,
     'OpenBabel': pre_test_hook_ignore_failing_tests_OpenBabel_a64fx,
     'PyTorch': pre_test_hook_increase_max_failed_tests_arm_PyTorch,