patch release bugs 🐛 (#583)

jacksund · Jan 4, 2024 · 2302456 · 2302456
1 parent 3e4363c
commit 2302456
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Showing 3 changed files with 1 addition and 6 deletions.
diff --git a/src/simmate/apps/badelf/core/__init__.py b/src/simmate/apps/badelf/core/__init__.py
@@ -3,6 +3,5 @@
 from .badelf import BadElfToolkit
 from .electride_finder import ElectrideFinder
 from .grid import Grid
-from .henkelman_bader_interface import ZeroFluxToolkit
 from .partitioning import PartitioningToolkit
 from .voxel_assignment import VoxelAssignmentToolkit
diff --git a/src/simmate/apps/warren_lab/workflows/relaxation/__init__.py b/src/simmate/apps/warren_lab/workflows/relaxation/__init__.py
@@ -2,10 +2,6 @@
 
 from .hse import Relaxation__Vasp__WarrenLabHse
 from .hsesol import Relaxation__Vasp__WarrenLabHsesol
-from .mit import Relaxation__Vasp__Mit
-from .mvl_grainboundary import Relaxation__Vasp__MvlGrainboundary
-from .mvl_neb_endpoint import Relaxation__Vasp__MvlNebEndpoint
-from .mvl_slab import Relaxation__Vasp__MvlSlab
 from .pbe import Relaxation__Vasp__WarrenLabPbe
 from .pbe_metal import Relaxation__Vasp__WarrenLabPbeMetal
 from .pbesol import Relaxation__Vasp__WarrenLabPbesol

diff --git a/src/simmate/workflows/test/test_all_workflow_runs.py b/src/simmate/workflows/test/test_all_workflow_runs.py
@@ -140,7 +140,7 @@ def working_directory(path):
             successful_flows.append(workflow_name)
 
         # TEST BadELF FLOWS
-        structure = sample_structures["Ca2N_mp-2686_primitive.csv"]
+        structure = sample_structures["Ca2N_mp-2686_primitive"]
         workflow_name = "bad-elf-analysis.badelf.badelf-pbesol"
         workflow = get_workflow(workflow_name)
         # This workflow runs a static energy and then badelf calculation. The