Add unit test for workchain (#472)

This commit adds tests for the `QeAppWorkChain` which test the workchain widget and behavior as a whole. 

It also includes the test for plugins: `bands` and `pdos`.
The test generates the projection data and bands data, then mounts them to the `QeAppWorkChain`. The final result is then checked.

.github/workflows/ci.yml

@@ -51,11 +51,13 @@ jobs:
 
         runs-on: ubuntu-latest
         timeout-minutes: 30
+
         services:
             rabbitmq:
                 image: rabbitmq:latest
                 ports:
                     - 5672:5672
+
         steps:
 
             - name: Check out app

setup.cfg

@@ -53,6 +53,7 @@ dev =
 [options.package_data]
 aiidalab_qe.app.parameters = qeapp.yaml
 aiidalab_qe.app.static = *
+aiidalab_qe.app.structure.examples = *
 
 [options.entry_points]
 aiidalab_qe.properties =

src/aiidalab_qe/app/structure/__init__.py

@@ -2,6 +2,7 @@
 
 Authors: AiiDAlab team
 """
+import pathlib
 import warnings
 
 import aiida
@@ -27,13 +28,14 @@
 
 # The Examples list of (name, file) tuple curretly passed to
 # StructureExamplesWidget.
+file_path = pathlib.Path(__file__).parent
 Examples = [
-    ("Silicon (diamond)", "miscellaneous/structures/Si.xyz"),
-    ("Silicon oxide", "miscellaneous/structures/SiO2.xyz"),
-    ("Diamond", "miscellaneous/structures/diamond.cif"),
-    ("Gallium arsenide", "miscellaneous/structures/GaAs.xyz"),
-    ("Gold (fcc)", "miscellaneous/structures/Au.cif"),
-    ("Cobalt (hcp)", "miscellaneous/structures/Co.cif"),
+    ("Silicon (diamond)", file_path / "examples" / "Si.xyz"),
+    ("Silicon oxide", file_path / "examples" / "SiO2.xyz"),
+    ("Diamond", file_path / "examples" / "diamond.cif"),
+    ("Gallium arsenide", file_path / "examples" / "GaAs.xyz"),
+    ("Gold (fcc)", file_path / "examples" / "Au.cif"),
+    ("Cobalt (hcp)", file_path / "examples" / "Co.cif"),
 ]
 
 

src/aiidalab_qe/app/structure/examples/SiO2.xyz

@@ -0,0 +1,8 @@
+6
+Lattice="4.1801 0.0 0.0 0.0 4.1801 0.0 0.0 0.0 2.6678" Properties=species:S:1:pos:R:3:tags:I:1 spacegroup="P 42/m n m" unit_cell=conventional pbc="T T T"
+Si       0.00000000       0.00000000       0.00000000        0
+Si       2.09005000       2.09005000       1.33390000        0
+O       1.28203667       1.28203667       0.00000000        1
+O       2.89806333       2.89806333       0.00000000        1
+O       3.37208667       0.80801333       1.33390000        1
+O       0.80801333       3.37208667       1.33390000        1