fix: fallback for legacy workflows, jobs to show material

.github/workflows/coverage-pages.yml

@@ -20,7 +20,7 @@ jobs:
         uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2
 
       - name: Setup Node.js
-        uses: actions/setup-node@53b83947a5a98c8d113130e565377fae1a50d02f # v6.3.0
+        uses: actions/setup-node@48b55a011bda9f5d6aeb4c2d9c7362e8dae4041e # v6.4.0
         with:
           node-version: 20.x
           cache: 'npm'

.github/workflows/coverage.yml

@@ -21,7 +21,7 @@ jobs:
         uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2
 
       - name: Setup Node.js
-        uses: actions/setup-node@53b83947a5a98c8d113130e565377fae1a50d02f # v6.3.0
+        uses: actions/setup-node@48b55a011bda9f5d6aeb4c2d9c7362e8dae4041e # v6.4.0
         with:
           node-version: ${{ matrix.node-version }}
           cache: 'npm'

.github/workflows/pr-coverage.yml

@@ -11,7 +11,7 @@ jobs:
         uses: actions/checkout@de0fac2e4500dabe0009e67214ff5f5447ce83dd # v6.0.2
 
       - name: Setup Node.js
-        uses: actions/setup-node@53b83947a5a98c8d113130e565377fae1a50d02f # v6.3.0
+        uses: actions/setup-node@48b55a011bda9f5d6aeb4c2d9c7362e8dae4041e # v6.4.0
         with:
           node-version: 20.x
           cache: 'npm'

dist/js/applicationMixin.d.ts

@@ -4,6 +4,7 @@ import type { NamedInMemoryEntity } from "@mat3ra/code/dist/js/entity/mixins/Nam
 import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
 import type { ApplicationSchemaBase } from "@mat3ra/esse/dist/js/types";
 import Executable from "./executable";
+export declare const APPS_USING_MATERIAL_FALLBACK: Set<string>;
 type Base = InMemoryEntity & NamedInMemoryEntity & DefaultableInMemoryEntity;
 export type BaseConstructor = Constructor<Base> & {
     constructCustomExecutable?: (config: object) => Executable;

dist/js/applicationMixin.js

@@ -3,10 +3,18 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
+exports.APPS_USING_MATERIAL_FALLBACK = void 0;
 exports.applicationMixin = applicationMixin;
 exports.applicationStaticMixin = applicationStaticMixin;
 const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
 const standata_1 = require("@mat3ra/standata");
+// Fallback list consulted only when `isUsingMaterial` is absent from the
+// application config. Keeps legacy workflows/jobs (created before the
+// `isUsingMaterial` flag existed) rendering the materials tab without
+// requiring a DB migration.
+// DO NOT add new apps to this list, new apps should use `isUsingMaterial` in
+// standata definitions instead.
+exports.APPS_USING_MATERIAL_FALLBACK = new Set(["vasp", "nwchem", "espresso"]);
 function applicationMixin(item) {
     // @ts-expect-error
     const properties = {
@@ -29,7 +37,10 @@ function applicationMixin(item) {
             return this.prop("isLicensed", false);
         },
         get isUsingMaterial() {
-            return this.prop("isUsingMaterial", false);
+            const stored = this.prop("isUsingMaterial");
+            if (typeof stored === "boolean")
+                return stored;
+            return exports.APPS_USING_MATERIAL_FALLBACK.has(this.name);
         },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));

src/js/applicationMixin.ts

@@ -8,6 +8,14 @@ import { ApplicationStandata } from "@mat3ra/standata";
 
 import Executable from "./executable";
 
+// Fallback list consulted only when `isUsingMaterial` is absent from the
+// application config. Keeps legacy workflows/jobs (created before the
+// `isUsingMaterial` flag existed) rendering the materials tab without
+// requiring a DB migration.
+// DO NOT add new apps to this list, new apps should use `isUsingMaterial` in
+// standata definitions instead.
+export const APPS_USING_MATERIAL_FALLBACK = new Set(["vasp", "nwchem", "espresso"]);
+
 type Base = InMemoryEntity & NamedInMemoryEntity & DefaultableInMemoryEntity;
 
 export type BaseConstructor = Constructor<Base> & {
@@ -62,7 +70,9 @@ export function applicationMixin(item: Base) {
         },
 
         get isUsingMaterial() {
-            return this.prop("isUsingMaterial", false);
+            const stored = this.prop("isUsingMaterial");
+            if (typeof stored === "boolean") return stored;
+            return APPS_USING_MATERIAL_FALLBACK.has(this.name);
         },
     };
 

src/py/mat3ra/ade/application.py

@@ -3,6 +3,15 @@
 from mat3ra.utils.object import calculate_hash_from_object, remove_timestampable_keys
 from pydantic import ConfigDict
 
+# Fallback list consulted only when `isUsingMaterial` is absent from the
+# application config. Keeps legacy workflows/jobs (created before the
+# `isUsingMaterial` flag existed) rendering the materials tab without
+# requiring a DB migration. Mirror of the JS-side constant in
+# `applicationMixin.ts`.
+# DO NOT add new apps to this list, new apps should use `isUsingMaterial` in
+# standata definitions instead.
+APPS_USING_MATERIAL_FALLBACK = frozenset({"vasp", "nwchem", "espresso"})
+
 
 class Application(ApplicationSchemaBase, InMemoryEntitySnakeCase):
     """
@@ -16,7 +25,8 @@ class Application(ApplicationSchemaBase, InMemoryEntitySnakeCase):
         summary: Application's short description
         hasAdvancedComputeOptions: Whether advanced compute options are present
         isLicensed: Whether licensing is present
-        isUsingMaterial: Whether this application is used for materials processing
+        isUsingMaterial: Whether this application uses a material as input.
+            When absent, falls back to `APPS_USING_MATERIAL_FALLBACK`.
         isDefault: Identifies that entity is defaultable
         schemaVersion: Entity's schema version
     """
@@ -29,7 +39,9 @@ class Application(ApplicationSchemaBase, InMemoryEntitySnakeCase):
 
     @property
     def is_using_material(self) -> bool:
-        return bool(self.isUsingMaterial)
+        if self.isUsingMaterial is not None:
+            return bool(self.isUsingMaterial)
+        return self.name in APPS_USING_MATERIAL_FALLBACK
 
     def get_short_name(self) -> str:
         return self.short_name if self.short_name else self.name

tests/js/application.test.ts

@@ -109,6 +109,25 @@ describe("Application", () => {
                 const otherApp = new Application({ name: "other_app" });
                 expect(otherApp.isUsingMaterial).to.be.false;
             });
+
+            describe("fallback when key is missing", () => {
+                ["vasp", "nwchem", "espresso"].forEach((name) => {
+                    it(`should fall back to true for ${name} when key is absent`, () => {
+                        expect(new Application({ name }).isUsingMaterial).to.be.true;
+                    });
+                });
+
+                ["deepmd", "lammps", "python", "shell"].forEach((name) => {
+                    it(`should stay false for ${name} when key is absent (not in fallback list)`, () => {
+                        expect(new Application({ name }).isUsingMaterial).to.be.false;
+                    });
+                });
+
+                it("should honor explicit false even for fallback-listed app", () => {
+                    const app = new Application({ name: "espresso", isUsingMaterial: false });
+                    expect(app.isUsingMaterial).to.be.false;
+                });
+            });
         });
     });
 

tests/py/test_application.py

@@ -68,6 +68,21 @@ def test_is_using_material_property():
     assert Application(name="other_app").is_using_material is False
 
 
+def test_is_using_material_falls_back_when_key_missing():
+    # When `isUsingMaterial` is absent (e.g. legacy workflow snapshots) the
+    # fallback list of well-known material apps is consulted by name.
+    for name in ["vasp", "nwchem", "espresso"]:
+        assert Application(name=name).is_using_material is True
+    # Apps outside the fallback list (and without an explicit flag) stay False.
+    for name in ["deepmd", "lammps", "python", "shell", "other_app"]:
+        assert Application(name=name).is_using_material is False
+
+
+def test_is_using_material_explicit_false_overrides_fallback():
+    # An explicit `isUsingMaterial: False` must win over the fallback list.
+    assert Application(name="espresso", isUsingMaterial=False).is_using_material is False
+
+
 def test_get_short_name():
     app_with_short = Application(name="espresso", shortName="QE")
     assert app_with_short.get_short_name() == "QE"