fix setup.cfg to not pollute top level namespace in site-packages with generic data folder

Author: janosh

data/periodic_table.csv renamed to ml_matrics/elements.csv

@@ -29,7 +29,7 @@ def count_elements(formulas: list) -> pd.Series:
 
     # ensure all elements are present in returned Series (with count zero if they
     # weren't in formulas)
-    ptable = pd.read_csv(ROOT + "/data/periodic_table.csv")
+    ptable = pd.read_csv(ROOT + "/ml_matrics/elements.csv")
     # fill_value=0 required as max(NaN, any int) = NaN
     srs = srs.combine(pd.Series(0, index=ptable.symbol), max, fill_value=0)
     return srs
@@ -67,7 +67,7 @@ def ptable_elemental_prevalence(
     if formulas is not None:
         elem_counts = count_elements(formulas)
 
-    ptable = pd.read_csv(ROOT + "/data/periodic_table.csv")
+    ptable = pd.read_csv(ROOT + "/ml_matrics/elements.csv")
     cmap = get_cmap(cmap)
 
     n_rows = ptable.row.max()

ml_matrics/elements.py

@@ -1,6 +1,6 @@
 [metadata]
 name = ml-matrics
-version = 0.1.0
+version = 0.1.1
 description = Metrics and visualizations for model performance in data-driven materials discovery
 long_description = file: readme.md
 long_description_content_type = text/markdown
@@ -32,7 +32,7 @@ install_requires=
     scikit_learn >= 0.24
 
 [options.package_data]
-* = ../data/periodic_table.csv
+ml_matrics = elements.csv
 
 [options.packages.find]
 exclude =