Lint fix.

jarvis/__init__.py

@@ -10,4 +10,4 @@ def test(*args):
     import pytest
 
     path = os.path.join(os.path.split(__file__)[0], "tests")
-    pytest.main(args=[path] + list(args))
+    pytest.main(args=[path] + list(args))

jarvis/core/atoms.py

@@ -1524,9 +1524,9 @@ def describe(
                 list(set(spg._dataset["wyckoffs"]))
             )
             struct_info["natoms_primitive"] = spg.primitive_atoms.num_atoms
-            struct_info["natoms_conventional"] = (
-                spg.conventional_standard_structure.num_atoms
-            )
+            struct_info[
+                "natoms_conventional"
+            ] = spg.conventional_standard_structure.num_atoms
         info["chemical_info"] = chem_info
         info["structure_info"] = struct_info
         line = "The number of atoms are: " + str(
@@ -2276,18 +2276,18 @@ def to_optimade(
         info_at["cartesian_site_positions"] = atoms.cart_coords[order].tolist()
         info_at["nperiodic_dimensions"] = 3
         # info_at["species"] = atoms.elements
-        info_at["species"] = (
-            self.get_optimade_species()
-        )  # dict(atoms.composition.to_dict())
+        info_at[
+            "species"
+        ] = self.get_optimade_species()  # dict(atoms.composition.to_dict())
         info_at["elements_ratios"] = list(
             atoms.composition.atomic_fraction.values()
         )
         info_at["structure_features"] = []
         info_at["last_modified"] = str(now)
         # info_at["more_data_available"] = True
-        info_at["chemical_formula_descriptive"] = (
-            atoms.composition.reduced_formula
-        )
+        info_at[
+            "chemical_formula_descriptive"
+        ] = atoms.composition.reduced_formula
         info_at["dimension_types"] = [1, 1, 1]
         info["attributes"] = info_at
         return info
@@ -2396,4 +2396,4 @@ def build_xanes_poscar(
 #    info['cartesian']=atoms['cartesian']
 #    elements=[i.strip() for i in atoms['elements']]
 #    info['elements']=elements
-#    return info
+#    return info

jarvis/tests/testfiles/core/test_atoms.py

@@ -96,7 +96,6 @@ def test_from_cif():
 
 
 def test_basic_atoms():
-
     Si = Atoms(
         lattice_mat=FIXTURES["lattice_mat"],
         coords=FIXTURES["coords"],
@@ -120,7 +119,7 @@ def test_basic_atoms():
     den_lll_red = round(Si.get_lll_reduced_structure().density, 2)
     strng = Si.get_string()
     scell_nat_old = Si.make_supercell_old([2, 2, 2]).num_atoms
-    #descr = Si.describe()
+    # descr = Si.describe()
     scell_nat = Si.make_supercell([2, 2, 2]).num_atoms
     scell_nat2 = Si.make_supercell_matrix(
         [[2, 0, 0], [0, 2, 0], [0, 0, 2]]
@@ -266,5 +265,6 @@ def test_remove_sites_by_indices():
     )
     assert Si2_supercell_without_two_atoms.num_atoms == 14
 
+
 # test_basic_atoms()
-# test_remove_sites_by_indices()
+# test_remove_sites_by_indices()

setup.py

@@ -84,4 +84,4 @@
         "Topic :: Scientific/Engineering",
     ],
     # scripts=glob.glob(os.path.join(JARVIS_DIR,  "*"))
-)
+)