remove single-arg os.path.join('path') calls

pymatgen/analysis/hhi.py

@@ -41,20 +41,14 @@ def __init__(self):
             for line in f:
                 if line[0] != "#":
                     symbol, hhi_production, hhi_reserve = line.split(",")
-                    self.symbol_hhip_hhir[symbol] = (
-                        float(hhi_production),
-                        float(hhi_reserve),
-                    )
+                    self.symbol_hhip_hhir[symbol] = float(hhi_production), float(hhi_reserve)
 
     def _get_hhi_el(self, el_or_symbol):
         """Returns the tuple of HHI_production, HHI reserve for a single element only."""
         if isinstance(el_or_symbol, Element):
             el_or_symbol = el_or_symbol.symbol
 
-        return (
-            self.symbol_hhip_hhir[el_or_symbol][0],
-            self.symbol_hhip_hhir[el_or_symbol][1],
-        )
+        return self.symbol_hhip_hhir[el_or_symbol][0], self.symbol_hhip_hhir[el_or_symbol][1]
 
     def get_hhi(self, comp_or_form):
         """

pymatgen/analysis/transition_state.py

@@ -234,10 +234,10 @@ def from_dir(cls, root_dir, relaxation_dirs=None, **kwargs):
         """
         neb_dirs = []
 
-        for d in os.listdir(root_dir):
-            pth = os.path.join(root_dir, d)
-            if os.path.isdir(pth) and d.isdigit():
-                i = int(d)
+        for digit in os.listdir(root_dir):
+            pth = os.path.join(root_dir, digit)
+            if os.path.isdir(pth) and digit.isdigit():
+                i = int(digit)
                 neb_dirs.append((i, pth))
         neb_dirs = sorted(neb_dirs, key=lambda d: d[0])
         outcars = []

pymatgen/io/lammps/utils.py

@@ -305,9 +305,9 @@ def run(self, site_property=None):
             self._write_input(input_dir=scratch_dir)
             with open(os.path.join(scratch_dir, self.input_file)) as packmol_input, Popen(
                 self.packmol_bin, stdin=packmol_input, stdout=PIPE, stderr=PIPE
-            ) as p:
-                (stdout, stderr) = p.communicate()
-            output_file = os.path.join(self.control_params["output"])
+            ) as proc:
+                stdout, stderr = proc.communicate()
+            output_file = self.control_params["output"]
             if os.path.isfile(output_file):
                 packed_mol = BabelMolAdaptor.from_file(output_file, self.control_params["filetype"])
                 packed_mol = packed_mol.pymatgen_mol

tests/electronic_structure/test_plotter.py

@@ -432,11 +432,11 @@ def test_plot_zt_temp(self):
 class TestCohpPlotter(PymatgenTest):
     def setUp(self):
         path = f"{TEST_FILES_DIR}/cohp/complete_cohp_lobster.json"
-        with open(os.path.join(path)) as f:
-            self.cohp = CompleteCohp.from_dict(json.load(f))
+        with open(path) as file:
+            self.cohp = CompleteCohp.from_dict(json.load(file))
         path = f"{TEST_FILES_DIR}/cohp/complete_coop_lobster.json"
-        with open(os.path.join(path)) as f:
-            self.coop = CompleteCohp.from_dict(json.load(f))
+        with open(path) as file:
+            self.coop = CompleteCohp.from_dict(json.load(file))
         self.cohp_plot = CohpPlotter(zero_at_efermi=False)
         self.coop_plot = CohpPlotter(are_coops=True)
 

tests/io/lobster/test_inputs.py

@@ -2368,32 +2368,24 @@ def test_get_volumetricdata_imaginary(self):
 
     def test_get_volumetricdata_density(self):
         wave1 = Wavefunction(
-            filename=os.path.join(
-                TEST_FILES_DIR,
-                "cohp",
-                "LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz",
-            ),
+            filename=os.path.join(TEST_FILES_DIR, "cohp", "LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz"),
             structure=Structure.from_file(f"{TEST_FILES_DIR}/cohp/POSCAR_O.gz"),
         )
         volumetricdata_density = wave1.get_volumetricdata_density()
         assert volumetricdata_density.data["total"][0, 0, 0] == approx((-3.0966 * -3.0966) + (-6.45895 * -6.45895))
 
     def test_write_file(self):
         wave1 = Wavefunction(
-            filename=os.path.join(
-                TEST_FILES_DIR,
-                "cohp",
-                "LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz",
-            ),
+            filename=f"{TEST_FILES_DIR}/cohp/LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz",
             structure=Structure.from_file(f"{TEST_FILES_DIR}/cohp/POSCAR_O.gz"),
         )
-        wave1.write_file(filename=os.path.join("wavecar_test.vasp"), part="real")
+        wave1.write_file(filename="wavecar_test.vasp", part="real")
         assert os.path.isfile("wavecar_test.vasp")
 
-        wave1.write_file(filename=os.path.join("wavecar_test.vasp"), part="imaginary")
+        wave1.write_file(filename="wavecar_test.vasp", part="imaginary")
         assert os.path.isfile("wavecar_test.vasp")
         os.remove("wavecar_test.vasp")
-        wave1.write_file(filename=os.path.join("density.vasp"), part="density")
+        wave1.write_file(filename="density.vasp", part="density")
         assert os.path.isfile("density.vasp")
         os.remove("density.vasp")
 

tests/io/test_core.py

@@ -12,8 +12,6 @@
 from pymatgen.io.core import InputFile, InputSet
 from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest
 
-test_dir = os.path.join(TEST_FILES_DIR)
-
 
 class StructInputFile(InputFile):
     """Test implementation of an InputFile object for CIF."""
@@ -53,14 +51,14 @@ def test_file_io(self):
         with pytest.raises(FileNotFoundError, match="No such file or directory: 'fakepath.cif'"):
             StructInputFile.from_file("fakepath.cif")
 
-        sif = StructInputFile.from_file(f"{test_dir}/Li.cif")
+        sif = StructInputFile.from_file(f"{TEST_FILES_DIR}/Li.cif")
         assert isinstance(sif.structure, Structure)
 
         sif.write_file("newLi.cif")
         assert os.path.exists("newLi.cif")
 
     def test_msonable(self):
-        sif = StructInputFile.from_file(f"{test_dir}/Li.cif")
+        sif = StructInputFile.from_file(f"{TEST_FILES_DIR}/Li.cif")
         sif_dict = sif.as_dict()
         decoder = MontyDecoder()
         temp_sif = decoder.process_decoded(sif_dict)
@@ -71,9 +69,9 @@ def test_msonable(self):
 class TestInputSet(PymatgenTest):
     @classmethod
     def setUpClass(cls):
-        cls.sif1 = StructInputFile.from_file(f"{test_dir}/Li.cif")
-        cls.sif2 = StructInputFile.from_file(f"{test_dir}/LiFePO4.cif")
-        cls.sif3 = StructInputFile.from_file(f"{test_dir}/Li2O.cif")
+        cls.sif1 = StructInputFile.from_file(f"{TEST_FILES_DIR}/Li.cif")
+        cls.sif2 = StructInputFile.from_file(f"{TEST_FILES_DIR}/LiFePO4.cif")
+        cls.sif3 = StructInputFile.from_file(f"{TEST_FILES_DIR}/Li2O.cif")
 
     def test_mapping(self):
         sif1, sif2, sif3 = self.sif1, self.sif2, self.sif3
@@ -94,7 +92,7 @@ def test_mapping(self):
         with pytest.raises(KeyError, match="'kwarg1'"):
             inp_set["kwarg1"]
 
-        sif4 = StructInputFile.from_file(f"{test_dir}/CuCl.cif")
+        sif4 = StructInputFile.from_file(f"{TEST_FILES_DIR}/CuCl.cif")
         inp_set["cif4"] = sif4
         assert inp_set.inputs["cif4"] is sif4
         assert len(inp_set) == 4