Fix experiment and workspace inventories and hashes

lib/ramble/ramble/pipeline.py

@@ -68,15 +68,24 @@ def __init__(self, workspace, filters):
         self.workspace.software_environments = self._software_environments
         self._experiment_set = workspace.build_experiment_set()
 
-    def _construct_hash(self):
-        """Hash all of the experiments, construct workspace inventory"""
+    def _construct_experiment_hashes(self):
+        """Hash all of the experiments.
+
+        Populate the workspace inventory information with experiment hash data.
+        """
         for exp, app_inst, _ in self._experiment_set.all_experiments():
             app_inst.populate_inventory(
                 self.workspace,
                 force_compute=self.force_inventory,
                 require_exist=self.require_inventory,
             )
 
+    def _construct_workspace_hash(self):
+        """Construct workspace inventory
+
+        Assumes experiment hashes are already constructed and populated into
+        the workspace.
+        """
         workspace_inventory = os.path.join(self.workspace.root, self.workspace.inventory_file_name)
         workspace_hash_file = os.path.join(self.workspace.root, self.workspace.hash_file_name)
 
@@ -280,7 +289,8 @@ def _prepare(self):
                 " Make sure your workspace is setup with\n"
                 "    ramble workspace setup"
             )
-        super()._construct_hash()
+        super()._construct_experiment_hashes()
+        super()._construct_workspace_hash()
         super()._prepare()
 
     def _complete(self):
@@ -328,7 +338,8 @@ def __init__(
             )
 
     def _prepare(self):
-        super()._construct_hash()
+        super()._construct_experiment_hashes()
+        super()._construct_workspace_hash()
         super()._prepare()
 
         date_str = self.workspace.date_string()
@@ -488,20 +499,22 @@ def __init__(self, workspace, filters):
         self.action_string = "Setting up"
 
     def _prepare(self):
+        # Check if the selected phases require the inventory is successful
+        if "write_inventory" in self.filters.phases or "*" in self.filters.phases:
+            self.require_inventory = True
+
         super()._prepare()
         experiment_file = open(self.workspace.all_experiments_path, "w+")
         shell = ramble.config.get("config:shell")
         shell_path = os.path.join("/bin/", shell)
         experiment_file.write(f"#!{shell_path}\n")
         self.workspace.experiments_script = experiment_file
 
-    def _complete(self):
-        # Check if the selected phases require the inventory is successful
-        if "write_inventory" in self.filters.phases or "*" in self.filters.phases:
-            self.require_inventory = True
+        super()._construct_experiment_hashes()
 
+    def _complete(self):
         try:
-            super()._construct_hash()
+            super()._construct_workspace_hash()
         except FileNotFoundError as e:
             tty.warn("Unable to construct workspace hash due to missing file")
             tty.warn(e)

lib/ramble/ramble/test/end_to_end/experiment_hashes.py

@@ -0,0 +1,138 @@
+# 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 ramble.workspace
+import spack.util.spack_json as sjson
+from ramble.main import RambleCommand
+from ramble.application import ApplicationBase
+
+
+workspace = RambleCommand("workspace")
+
+
+def test_experiment_hashes(mutable_config, mutable_mock_workspace_path, request):
+    workspace_name = request.node.name
+
+    ws1 = ramble.workspace.create(workspace_name)
+
+    global_args = ["-w", workspace_name]
+
+    workspace(
+        "generate-config",
+        "gromacs",
+        "--wf",
+        "water_bare",
+        "-e",
+        "unit_test",
+        "-v",
+        "n_nodes=1",
+        "-v",
+        "n_ranks=1",
+        "-p",
+        "spack",
+        global_args=global_args,
+    )
+
+    workspace("concretize", global_args=global_args)
+    workspace("setup", "--dry-run", global_args=global_args)
+
+    experiment_inventory = os.path.join(
+        ws1.experiment_dir,
+        "gromacs",
+        "water_bare",
+        "unit_test",
+        ApplicationBase._inventory_file_name,
+    )
+
+    workspace_inventory = os.path.join(ws1.root, ramble.workspace.Workspace.inventory_file_name)
+
+    # Test experiment inventory
+    assert os.path.isfile(experiment_inventory)
+    with open(experiment_inventory) as f:
+        data = sjson.load(f)
+
+    assert "application_definition" in data
+    assert data["application_definition"] != ""
+    assert data["application_definition"] is not None
+
+    # Test Attributes
+    expected_attrs = {"variables", "modifiers", "env_vars", "internals", "chained_experiments"}
+    assert "attributes" in data
+    for attr in data["attributes"]:
+        if attr["name"] in expected_attrs:
+            assert attr["digest"] != ""
+            assert attr["digest"] is not None
+            expected_attrs.remove(attr["name"])
+
+    assert len(expected_attrs) == 0
+
+    # Test Templates
+    expected_templates = {"execute_experiment"}
+    assert "templates" in data
+    for temp in data["templates"]:
+        if temp["name"] in expected_templates:
+            assert temp["digest"] != ""
+            assert temp["digest"] is not None
+            expected_templates.remove(temp["name"])
+
+    assert len(expected_templates) == 0
+
+    # Test software environments
+    expected_envs = {"software/gromacs"}
+    assert "software" in data
+    for env in data["software"]:
+        if env["name"] in expected_envs:
+            assert env["digest"] != ""
+            assert env["digest"] is not None
+            expected_envs.remove(env["name"])
+
+    assert len(expected_envs) == 0
+
+    # Test package manager
+    expected_pkgmans = {"spack"}
+    assert "package_manager" in data
+    for pkgman in data["package_manager"]:
+        if pkgman["name"] in expected_pkgmans:
+            assert pkgman["digest"] != ""
+            assert pkgman["digest"] is not None
+            assert pkgman["version"] != ""
+            assert pkgman["version"] is not None
+            expected_pkgmans.remove(pkgman["name"])
+
+    assert len(expected_pkgmans) == 0
+
+    # Test workspace inventory
+    assert os.path.isfile(workspace_inventory)
+    with open(workspace_inventory) as f:
+        data = sjson.load(f)
+
+    # Test experiments
+    expected_experiments = {"gromacs.water_bare.unit_test"}
+
+    assert "experiments" in data
+    for exp in data["experiments"]:
+        if exp["name"] in expected_experiments:
+            assert exp["digest"] != ""
+            assert exp["digest"] is not None
+            assert "contents" in exp
+            expected_experiments.remove(exp["name"])
+
+    assert len(expected_experiments) == 0
+
+    # Test versions
+    expected_versions = {"ramble"}
+
+    assert "versions" in data
+    for ver in data["versions"]:
+        if ver["name"] in expected_versions:
+            assert ver["digest"] != ""
+            assert ver["digest"] is not None
+            expected_versions.remove(ver["name"])
+    assert len(expected_versions) == 0

var/ramble/repos/builtin/package_managers/environment-modules/package_manager.py

@@ -35,19 +35,43 @@ class EnvironmentModules(PackageManagerBase):
         run_before=["make_experiments"],
     )
 
+    def _generate_loads_content(self, workspace):
+        if not hasattr(self, "_load_string"):
+            app_context = self.app_inst.expander.expand_var_name(
+                self.keywords.env_name
+            )
+
+            require_env = self.environment_required()
+
+            software_envs = workspace.software_environments
+            software_env = software_envs.render_environment(
+                app_context, self.app_inst.expander, self, require=require_env
+            )
+
+            load_content = []
+
+            if software_env is not None:
+                for spec in software_envs.package_specs_for_environment(
+                    software_env
+                ):
+                    load_content.append(f"module load {spec}")
+
+            self._load_string = "\n".join(load_content)
+
+        return self._load_string
+
     def populate_inventory(
         self, workspace, force_compute=False, require_exist=False
     ):
-        env_path = self.app_inst.expander.env_path
-
         self.app_inst.hash_inventory["package_manager"].append(
             {
                 "name": self.name,
             }
         )
 
-        env_hash = ramble.util.hashing.hash_file(
-            os.path.join(env_path, "module_loads")
+        env_path = self.app_inst.expander.env_path
+        env_hash = ramble.util.hashing.hash_string(
+            self._generate_loads_content(workspace)
         )
 
         self.app_inst.hash_inventory["software"].append(
@@ -58,32 +82,16 @@ def populate_inventory(
         )
 
     def _write_module_commands(self, workspace, app_inst=None):
-
-        app_context = self.app_inst.expander.expand_var_name(
-            self.keywords.env_name
-        )
-
-        require_env = self.environment_required()
-
-        software_envs = workspace.software_environments
-        software_env = software_envs.render_environment(
-            app_context, self.app_inst.expander, self, require=require_env
-        )
-
         env_path = self.app_inst.expander.env_path
 
         module_file_path = os.path.join(env_path, "module_loads")
 
         fs.mkdirp(env_path)
 
-        module_file = open(module_file_path, "w+")
+        loads_content = self._generate_loads_content(workspace)
 
-        if software_env is not None:
-            for spec in software_envs.package_specs_for_environment(
-                software_env
-            ):
-                module_file.write(f"module load {spec}\n")
-        module_file.close()
+        with open(module_file_path, "w+") as f:
+            f.write(loads_content)
 
     register_builtin("module_load", required=True)