Merge pull request #180 from Exabyte-io/update/SOF-7521

update/SOF-7521 update: fix slab generation to expose more terminations

.github/workflows/cicd.yml

@@ -11,7 +11,7 @@ jobs:
     runs-on: ubuntu-20.04
     strategy:
       matrix:
-        python-version: [3.8.6]
+        python-version: [3.10.13]
 
     steps:
       - name: Checkout this repository
@@ -37,10 +37,10 @@ jobs:
     strategy:
       matrix:
         python-version:
-          - 3.8.x
-          - 3.9.x
           - 3.10.x
           - 3.11.x
+          - 3.12.x
+          - 3.13.x
 
     steps:
       - name: Checkout this repository
@@ -147,7 +147,7 @@ jobs:
       -   name: Publish python release
           uses: ./actions/py/publish
           with:
-            python-version: 3.8.x
+            python-version: 3.10.13
             github-token: ${{ secrets.BOT_GITHUB_TOKEN }}
             pypi-api-token: ${{ secrets.PYPI_API_TOKEN }}
             publish-tag: 'false'

src/py/mat3ra/made/tools/build/slab/builders.py

@@ -34,7 +34,10 @@ def _generate(self, configuration: _ConfigurationType) -> List[_GeneratedItemTyp
             reorient_lattice=True,
             primitive=configuration.make_primitive,
         )
-        raw_slabs = generator.get_slabs()
+        raw_slabs = generator.get_slabs(
+            # We need to preserve symmetric slabs for different terminations at the surface
+            filter_out_sym_slabs=False,
+        )
         self.__configuration = configuration
 
         return [self.__conditionally_convert_slab_to_orthogonal_pymatgen(slab) for slab in raw_slabs]