Fixes from #216

SMTG-Bham · Oct 11, 2023 · 6e05b66 · 6e05b66
1 parent 9d6b00e
commit 6e05b66
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Showing 5 changed files with 16 additions and 34 deletions.
diff --git a/setup.py b/setup.py
@@ -38,7 +38,7 @@
         "h5py",
         "pymatgen>=2020.10.20",
         "phonopy>=2.1.3",
-        "matplotlib",
+        "matplotlib>=3.2.0",
         "seekpath",
         "castepxbin<1.0",
         "colormath",

diff --git a/sumo/cli/bandplot.py b/sumo/cli/bandplot.py
@@ -762,24 +762,20 @@ def _get_parser():
         "--orbitals",
         type=_el_orb,
         metavar="O",
-        help=(
-            "orbitals to split into lm-decomposed "
-            'contributions (e.g. "Ru.d")'
-        ),
+        help="orbitals to split into lm-decomposed contributions (e.g. 'Ru.d')",
     )
     parser.add_argument(
         "--atoms",
         type=_atoms,
         metavar="A",
-        help=('atoms to include (e.g. "O.1.2.3,Ru.1.2.3")'),
+        help='atoms to include (e.g. "O.1.2.3,Ru.1.2.3")',
     )
     parser.add_argument(
         "--spin",
         type=str,
         default=None,
         help=(
-            "select only one spin channel for a "
-            "spin-polarised calculation "
+            "select only one spin channel for a spin-polarised calculation "
             "(options: up, 1; down, -1)"
         ),
     )
@@ -883,9 +879,7 @@ def main():
     logging.getLogger("").addHandler(console)
 
     if args.config is None:
-        config_path = os.path.join(
-            ilr_files("sumo.plotting"), "orbital_colours.conf"
-        )
+        config_path = ilr_files("sumo.plotting") / "orbital_colours.conf"
     else:
         config_path = args.config
     colours = configparser.ConfigParser()

diff --git a/sumo/cli/dosplot.py b/sumo/cli/dosplot.py
@@ -441,9 +441,7 @@ def _get_parser():
         "--code",
         default="vasp",
         metavar="C",
-        help=(
-            'Input file format: "vasp" (vasprun.xml) or ' '"questaal" (opt.ext)'
-        ),
+        help='Input file format: "vasp" (vasprun.xml) or "questaal" (opt.ext)',
     )
     parser.add_argument(
         "-p", "--prefix", metavar="P", help="prefix for the files generated"
@@ -463,25 +461,21 @@ def _get_parser():
         "--orbitals",
         type=_el_orb,
         metavar="O",
-        help=(
-            "orbitals to split into lm-decomposed "
-            'contributions (e.g. "Ru.d")'
-        ),
+        help="orbitals to split into lm-decomposed contributions (e.g. 'Ru.d')",
     )
     parser.add_argument(
         "-a",
         "--atoms",
         type=_atoms,
         metavar="A",
-        help=('atoms to include (e.g. "O.1.2.3,Ru.1.2.3")'),
+        help='atoms to include (e.g. "O.1.2.3,Ru.1.2.3")',
     )
     parser.add_argument(
         "--spin",
         type=str,
         default=None,
         help=(
-            "select one spin channel only for a "
-            "spin-polarised calculation "
+            "select one spin channel only for a spin-polarised calculation "
             "(options: up, 1; down, -1)"
         ),
     )
@@ -634,9 +628,7 @@ def main():
     logging.getLogger("").addHandler(console)
 
     if args.config is None:
-        config_path = os.path.join(
-            ilr_files("sumo.plotting"), "orbital_colours.conf"
-        )
+        config_path = ilr_files("sumo.plotting") / "orbital_colours.conf"
     else:
         config_path = args.config
     colours = configparser.ConfigParser()

diff --git a/sumo/plotting/__init__.py b/sumo/plotting/__init__.py
@@ -19,15 +19,11 @@
 
 colour_cache = {}
 
-sumo_base_style = os.path.join(ilr_files("sumo.plotting"), "sumo_base.mplstyle")
-sumo_dos_style = os.path.join(ilr_files("sumo.plotting"), "sumo_dos.mplstyle")
-sumo_bs_style = os.path.join(ilr_files("sumo.plotting"), "sumo_bs.mplstyle")
-sumo_phonon_style = os.path.join(
-    ilr_files("sumo.plotting"), "sumo_phonon.mplstyle"
-)
-sumo_optics_style = os.path.join(
-    ilr_files("sumo.plotting"), "sumo_optics.mplstyle"
-)
+sumo_base_style = ilr_files("sumo.plotting") / "sumo_base.mplstyle"
+sumo_dos_style = ilr_files("sumo.plotting") / "sumo_dos.mplstyle"
+sumo_bs_style = ilr_files("sumo.plotting") / "sumo_bs.mplstyle"
+sumo_phonon_style = ilr_files("sumo.plotting") / "sumo_phonon.mplstyle"
+sumo_optics_style = ilr_files("sumo.plotting") / "sumo_optics.mplstyle"
 
 
 def styled_plot(*style_sheets):

diff --git a/sumo/symmetry/brad_crack_kpath.py b/sumo/symmetry/brad_crack_kpath.py
@@ -85,7 +85,7 @@ def _get_bradcrack_data(bravais):
                'path': [['\Gamma', 'X', ..., 'P'], ['H', 'N', ...]]}
 
         """
-        json_file = os.path.join(ilr_files("sumo.symmetry"), "bradcrack.json")
+        json_file = ilr_files("sumo.symmetry") / "bradcrack.json"
         with open(json_file) as f:
             bradcrack_data = load_json(f)
             return bradcrack_data[bravais]