Merge pull request #495 from linsword13/spack-cache

Configure spack install dir based on `env_name`

lib/ramble/ramble/expander.py

@@ -318,7 +318,6 @@ def __init__(self, variables, experiment_set, no_expand_vars=set()):
         self._application_namespace = None
         self._workload_namespace = None
         self._experiment_namespace = None
-        self._env_namespace = None
         self._env_path = None
 
         self._application_input_dir = None
@@ -388,15 +387,6 @@ def experiment_namespace(self):
 
         return self._experiment_namespace
 
-    @property
-    def env_namespace(self):
-        if not self._env_namespace:
-            var = self.expansion_str(self._keywords.env_name) + \
-                '.' + self.expansion_str(self._keywords.workload_name)
-            self._env_namespace = self.expand_var(var)
-
-        return self._env_namespace
-
     @property
     def env_path(self):
         if not self._env_path:

lib/ramble/ramble/experiment_set.py

@@ -262,10 +262,9 @@ def _prepare_experiment(self, exp_template_name, variables, context, repeats):
         Returns:
             (Application): Instance of an application class for this experiment
         """
-        variables[self.keywords.env_path] = \
-            os.path.join(self._workspace.software_dir,
-                         Expander.expansion_str(self.keywords.env_name) + '.' +
-                         Expander.expansion_str(self.keywords.workload_name))
+        variables[self.keywords.env_path] = os.path.join(
+            self._workspace.software_dir, Expander.expansion_str(self.keywords.env_name)
+        )
 
         experiment_suffix = ''
         # After generating the base experiment, append the index to repeat experiments

lib/ramble/ramble/test/end_to_end/dryrun_copies_external_env.py

@@ -77,7 +77,7 @@ def test_dryrun_copies_external_env(mutable_config, mutable_mock_workspace_path,
         setup_pipeline = setup_cls(ws, filters)
         setup_pipeline.run()
 
-        env_file = os.path.join(ws.software_dir, 'wrfv4.CONUS_12km', 'spack.yaml')
+        env_file = os.path.join(ws.software_dir, 'wrfv4', 'spack.yaml')
 
         assert os.path.exists(env_file)
 

lib/ramble/ramble/test/end_to_end/experiment_excludes.py

@@ -153,7 +153,7 @@ def test_wrfv4_exclusions(mutable_config, mutable_mock_workspace_path):
             out_files, 'Would download https://www2.mmm.ucar.edu/wrf/users/benchmark/v422/v42_bench_conus12km.tar.gz') # noqa
 
         # Test software directories
-        software_dirs = ['wrfv4.CONUS_12km', 'wrfv4-portable.CONUS_12km']
+        software_dirs = ['wrfv4', 'wrfv4-portable']
         software_base_dir = os.path.join(ws1.root, ramble.workspace.workspace_software_path)
         assert os.path.exists(software_base_dir)
         for software_dir in software_dirs:

lib/ramble/ramble/test/end_to_end/experiment_repeats.py

@@ -109,7 +109,7 @@ def test_gromacs_repeats(mutable_config, mutable_mock_workspace_path):
             out_files, 'Would download https://ftp.gromacs.org/pub/benchmarks/water_GMX50_bare.tar.gz') # noqa
 
         # Test software directories
-        software_dirs = ['gromacs.water_gmx50', 'gromacs.water_bare']
+        software_dirs = ['gromacs']
         software_base_dir = os.path.join(ws1.root, ramble.workspace.workspace_software_path)
         assert os.path.exists(software_base_dir)
         for software_dir in software_dirs:

lib/ramble/ramble/test/end_to_end/explicit_zips.py

@@ -147,7 +147,7 @@ def test_wrfv4_explicit_zips(mutable_config, mutable_mock_workspace_path):
             out_files, 'Would download https://www2.mmm.ucar.edu/wrf/users/benchmark/v422/v42_bench_conus12km.tar.gz') # noqa
 
         # Test software directories
-        software_dirs = ['wrfv4.CONUS_12km', 'wrfv4-portable.CONUS_12km']
+        software_dirs = ['wrfv4', 'wrfv4-portable']
         software_base_dir = os.path.join(ws1.root, ramble.workspace.workspace_software_path)
         assert os.path.exists(software_base_dir)
         for software_dir in software_dirs:

lib/ramble/ramble/test/end_to_end/package_manager_config.py

@@ -59,7 +59,7 @@ def test_package_manager_config_zlib(mock_applications):
 
         workspace('setup', '--dry-run', global_args=['-w', workspace_name])
 
-        spack_yaml = os.path.join(ws.software_dir, 'zlib-configs.ensure_installed',
+        spack_yaml = os.path.join(ws.software_dir, 'zlib-configs',
                                   'spack.yaml')
 
         assert os.path.isfile(spack_yaml)

lib/ramble/ramble/test/end_to_end/package_manager_requirements.py

@@ -64,7 +64,7 @@ def test_package_manager_requirements_zlib(mock_applications, mock_modifiers):
 
         workspace('setup', global_args=['-w', workspace_name])
 
-        spack_yaml = os.path.join(ws.software_dir, 'zlib-configs.ensure_installed',
+        spack_yaml = os.path.join(ws.software_dir, 'zlib-configs',
                                   'spack.yaml')
 
         assert os.path.isfile(spack_yaml)

lib/ramble/ramble/test/end_to_end/spack_env_cache.py

@@ -0,0 +1,119 @@
+# Copyright 2022-2024 The Ramble Authors
+#
+# Licensed under the Apache License, Version 2.0 <LICENSE-APACHE or
+# https://www.apache.org/licenses/LICENSE-2.0> or the MIT license
+# <LICENSE-MIT or https://opensource.org/licenses/MIT>, at your
+# option. This file may not be copied, modified, or distributed
+# except according to those terms.
+
+import os
+
+import pytest
+
+import ramble.workspace
+import ramble.config
+import ramble.software_environments
+from ramble.main import RambleCommand
+
+
+# everything here uses the mock_workspace_path
+pytestmark = pytest.mark.usefixtures(
+    'mutable_config',
+    'mutable_mock_workspace_path',
+)
+
+workspace = RambleCommand('workspace')
+
+
+def test_spack_env_cache():
+    test_config = """
+ramble:
+  variables:
+    mpi_command: 'mpirun -n {n_ranks} -ppn {processes_per_node}'
+    batch_submit: '{execute_experiment}'
+    processes_per_node: '1'
+  applications:
+    gromacs:
+      workloads:
+        water_bare:
+          experiments:
+            test1:
+              variables:
+                n_nodes: '1'
+            test2:
+              variables:
+                n_nodes: '2'
+                env_name: 'g2'
+            test3:
+              variables:
+                n_nodes: '3'
+        water_gmx50:
+          experiments:
+            test4:
+              variables:
+                n_nodes: '1'
+  spack:
+    packages:
+      intel-mpi:
+        spack_spec: intel-oneapi-mpi@2021.11.0
+      gromacs:
+        spack_spec: gromacs
+    environments:
+      gromacs:
+        packages:
+        - gromacs
+        - intel-mpi
+      g2:
+        packages:
+        - gromacs
+        - intel-mpi
+"""
+    workspace_name = 'test-spack-env-cache'
+    ws = ramble.workspace.create(workspace_name)
+    ws.write()
+
+    config_path = os.path.join(ws.config_dir, ramble.workspace.config_file_name)
+
+    with open(config_path, 'w+') as f:
+        f.write(test_config)
+
+    ws._re_read()
+
+    workspace(
+        'setup',
+        '--dry-run',
+        global_args=['-w', workspace_name],
+    )
+
+    # spack env should be present only at the env_name level.
+    assert os.path.exists(os.path.join(ws.software_dir, 'gromacs'))
+    assert os.path.exists(os.path.join(ws.software_dir, 'g2'))
+    assert not os.path.exists(os.path.join(ws.software_dir, 'g2.water_bare'))
+
+    # First encounter of an env_name (test1 -> gromacs, test2 -> g2) requires spack usage.
+    test1_log = os.path.join(ws.log_dir, 'setup.latest', 'gromacs.water_bare.test1.out')
+    with open(test1_log, 'r') as f:
+        content = f.read()
+        assert 'spack install' in content
+        assert 'spack concretize' in content
+
+    test2_log = os.path.join(ws.log_dir, 'setup.latest', 'gromacs.water_bare.test2.out')
+    with open(test2_log, 'r') as f:
+        content = f.read()
+        assert 'spack install' in content
+        assert 'spack concretize' in content
+
+    # Envs should already exist and can skip spack calls.
+    test3_log = os.path.join(ws.log_dir, 'setup.latest', 'gromacs.water_bare.test3.out')
+    with open(test3_log, 'r') as f:
+        content = f.read()
+        assert 'spack install' not in content
+        assert 'spack concretize' not in content
+
+    test4_log = os.path.join(
+        ws.log_dir, 'setup.latest', 'gromacs.water_gmx50.test4.out'
+    )
+    with open(test4_log, 'r') as f:
+        content = f.read()
+        assert 'spack install' not in content
+        assert 'spack concretize' not in content

lib/ramble/ramble/test/end_to_end/test_configvar_dry_run.py

@@ -91,7 +91,7 @@ def test_configvar_dry_run(mutable_config, mutable_mock_workspace_path):
 
         workspace('setup', '--dry-run', global_args=['-w', workspace_name])
 
-        software_dir = 'openfoam.motorbike'
+        software_dir = 'openfoam'
         software_base_dir = os.path.join(ws.root, ramble.workspace.workspace_software_path)
         assert os.path.exists(software_base_dir)
 

lib/ramble/ramble/test/end_to_end/wrfv4_dry_run.py

@@ -136,7 +136,7 @@ def test_wrfv4_dry_run(mutable_config, mutable_mock_workspace_path):
             out_files, 'Would download https://www2.mmm.ucar.edu/wrf/users/benchmark/v422/v42_bench_conus12km.tar.gz') # noqa
 
         # Test software directories
-        software_dirs = ['wrfv4.CONUS_12km', 'wrfv4-portable.CONUS_12km']
+        software_dirs = ['wrfv4', 'wrfv4-portable']
         software_base_dir = os.path.join(ws1.root, ramble.workspace.workspace_software_path)
         assert os.path.exists(software_base_dir)
         for software_dir in software_dirs:

lib/ramble/ramble/test/modifier_application.py

@@ -77,7 +77,7 @@ def test_wrfv4_aps_test(mutable_config, mutable_mock_workspace_path):
 
         workspace('setup', '--dry-run', global_args=['-w', workspace_name])
 
-        software_path = os.path.join(ws1.software_dir, 'wrfv4.CONUS_12km', 'spack.yaml')
+        software_path = os.path.join(ws1.software_dir, 'wrfv4', 'spack.yaml')
         with open(software_path, 'r') as f:
             assert 'intel-oneapi-vtune' in f.read()
 

lib/ramble/ramble/test/modifier_functionality/mock_modifier_spack_configs.py

@@ -53,7 +53,7 @@ def test_gromacs_mock_spack_config_mod(mutable_mock_workspace_path,
 
         assert os.path.isfile(exp_script)
 
-        spack_yaml = os.path.join(ws1.software_dir, 'gromacs.water_bare',
+        spack_yaml = os.path.join(ws1.software_dir, 'gromacs',
                                   'spack.yaml')
         assert os.path.isfile(spack_yaml)
 

lib/ramble/ramble/test/modifier_functionality/mock_spack_modifier.py

@@ -40,9 +40,9 @@ def test_gromacs_dry_run_mock_spack_mod(mutable_mock_workspace_path,
     ]
 
     software_tests = [
-        ('gromacs.water_bare', 'mod_package1@1.1'),
-        ('gromacs.water_bare', 'mod_package2@1.1'),
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'mod_package1@1.1'),
+        ('gromacs', 'mod_package2@1.1'),
+        ('gromacs', 'gromacs'),
     ]
 
     with ramble.workspace.create(workspace_name) as ws1:

lib/ramble/ramble/test/modifier_functionality/modifier_helpers.py

@@ -56,8 +56,8 @@ def intel_aps_modifier():
 
 def intel_aps_answer():
     expected_software = [
-        ('gromacs.water_bare', 'intel-oneapi-vtune'),
-        ('gromacs.water_bare', 'gromacs')
+        ('gromacs', 'intel-oneapi-vtune'),
+        ('gromacs', 'gromacs')
     ]
     expected_strs = [
         'aps -c mpi',
@@ -76,7 +76,7 @@ def lscpu_modifier():
 
 def lscpu_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'lscpu',
@@ -94,7 +94,7 @@ def env_var_append_paths_modifier():
 
 def env_var_append_paths_modifier_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'export test_var="${test_var}:test_val"'
@@ -112,7 +112,7 @@ def env_var_append_vars_modifier():
 
 def env_var_append_vars_modifier_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'export test_var="${test_var},test_val"',
@@ -130,7 +130,7 @@ def env_var_prepend_paths_modifier():
 
 def env_var_prepend_paths_modifier_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'export test_var="test_val:${test_var}"',
@@ -148,7 +148,7 @@ def env_var_set_modifier():
 
 def env_var_set_modifier_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'export test_var=test_val',
@@ -167,7 +167,7 @@ def env_var_unset_modifier():
 
 def env_var_unset_modifier_answer():
     expected_software = [
-        ('gromacs.water_bare', 'gromacs'),
+        ('gromacs', 'gromacs'),
     ]
     expected_strs = [
         'unset test_var',