Merge pull request #205 from casparvl/stage_lammps_data_using_fixture

Stage lammps and cp2k data using fixture

eessi/testsuite/tests/apps/cp2k/cp2k.py

@@ -1,17 +1,18 @@
-import os
-
 import reframe as rfm
-from reframe.core.builtins import parameter, run_after, performance_function, sanity_function
+from reframe.core.builtins import parameter, run_after, performance_function, sanity_function, fixture
 import reframe.utility.sanity as sn
 
 from eessi.testsuite.constants import SCALES, COMPUTE_UNIT, DEVICE_TYPES, CPU
 from eessi.testsuite.eessi_mixin import EESSI_Mixin
 from eessi.testsuite.utils import find_modules
+from eessi.testsuite.tests.apps.cp2k.cp2k_staging.cp2k_stage_input import EESSI_CP2K_stage_input
 
 
 @rfm.simple_test
 class EESSI_CP2K(rfm.RunOnlyRegressionTest, EESSI_Mixin):
 
+    stage_files = fixture(EESSI_CP2K_stage_input, scope='session')
+
     benchmark_info = parameter([
         # (bench_name, energy_ref, energy_tol)
         ('QS/H2O-32', -550.5055, 1e-4),
@@ -38,13 +39,13 @@ def required_mem_per_node(self):
         return (self.num_tasks_per_node * mem['slope'] + mem['intercept']) * 1024
 
     @run_after('init')
-    def prepare_test(self):
+    def set_bench_name(self):
         self.bench_name, self.energy_ref, self.energy_tol = self.benchmark_info
         self.descr = f'EESSI_CP2K {self.bench_name} benchmark'
-        self.prerun_cmds = [
-            f'cp {os.path.join(os.path.dirname(__file__), "input", self.bench_name)}.inp ./'
-        ]
-        self.executable_opts += ['-i', f'{os.path.basename(self.bench_name)}.inp']
+
+    @run_after('setup')
+    def prepare_test(self):
+        self.executable_opts += ['-i', f'{self.stage_files.stagedir}/{self.bench_name}.inp']
 
     @sanity_function
     def assert_energy(self):

eessi/testsuite/tests/apps/cp2k/cp2k_staging/cp2k_stage_input.py

@@ -0,0 +1,24 @@
+import reframe as rfm
+from reframe.utility import sanity as sn
+
+
+@rfm.simple_test
+class EESSI_CP2K_stage_input(rfm.RunOnlyRegressionTest):
+    '''Stage input files for CP2K'''
+
+    valid_systems = ['*']
+    valid_prog_environs = ['*']
+    executable = "true"
+    local = True
+
+    # Check that all files have been staged correctly
+    input_file_list = [
+        'QS/H2O-32.inp',
+        'QS/H2O-128.inp',
+        'QS/H2O-512.inp',
+    ]
+    sn_list = [sn.assert_found('.*', input_file) for input_file in input_file_list]
+    sanity_patterns = sn.all([
+        sn.assert_found('.*', input_file, f"input file '{input_file}' seems to be missing")
+        for input_file in input_file_list
+    ])

eessi/testsuite/tests/apps/lammps/lammps.py

@@ -10,6 +10,8 @@
 from eessi.testsuite.constants import *  # noqa
 from eessi.testsuite.eessi_mixin import EESSI_Mixin
 
+from eessi.testsuite.tests.apps.lammps.lammps_staging.lammps_stage_input import EESSI_LAMMPS_stage_input
+
 
 class EESSI_LAMMPS_base(rfm.RunOnlyRegressionTest, EESSI_Mixin):
     time_limit = '30m'
@@ -125,9 +127,18 @@ def set_executable_opts(self):
 @rfm.simple_test
 class EESSI_LAMMPS_rhodo(EESSI_LAMMPS_base):
     sourcesdir = 'src/rhodo'
-    readonly_files = ["data.rhodo"]
     executable = 'lmp -in in.rhodo'
 
+    stage_input = fixture(EESSI_LAMMPS_stage_input, scope='session')
+
+    @run_after('setup')
+    def symlink_lammps_data(self):
+        '''Create a symlink to the data.rhodo file staged by the EESSI_LAMMPS_stage_input fixture.
+        Lammps needs this in the current working directory'''
+        self.prerun_cmds = [
+            f'ln -s {self.stage_input.stagedir}/rhodo/data.rhodo data.rhodo'
+        ]
+
     @deferrable
     def check_number_neighbors(self):
         '''Assert that the test calulated the right number of neighbours'''

eessi/testsuite/tests/apps/lammps/lammps_staging/lammps_stage_input.py

@@ -0,0 +1,15 @@
+import reframe as rfm
+from reframe.utility import sanity as sn
+
+
+@rfm.simple_test
+class EESSI_LAMMPS_stage_input(rfm.RunOnlyRegressionTest):
+    '''Stage input files for LAMMPS'''
+
+    valid_systems = ['*']
+    valid_prog_environs = ['*']
+    executable = "true"
+    local = True
+
+    # Check that all files have been staged correctly
+    sanity_patterns = sn.assert_found('.*', 'rhodo/data.rhodo', "input file 'data.rhodo' seems to be missing")