Merge pull request #497 from avcopan/dev

Use more_itertools.pairwise for compatibility
Auto-Mech · Jun 5, 2024 · d02ce63 · d02ce63
2 parents 8b72382 + b1945d5
commit d02ce63
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Showing 3 changed files with 5 additions and 4 deletions.
diff --git a/recipe.yaml → .recipe/recipe.yaml b/recipe.yaml → .recipe/recipe.yaml
@@ -1,14 +1,14 @@
 package:
   name: autochem
-  version: "2024.6.4"
+  version: "2024.6.5"
 
 about:
   license: MIT
   description: A library for manipulating molecular descriptors
   repository: https://github.com/Auto-Mech/autochem
 
 source:
-  path: .
+  path: ..
 
 build:
   noarch: python

diff --git a/automol/graph/_2conv.py b/automol/graph/_2conv.py
@@ -7,6 +7,7 @@
 
 import IPython.display as ipd
 import ipywidgets
+import more_itertools as mit
 import numpy
 from phydat import phycon
 
@@ -471,7 +472,7 @@ def ts_geometry_from_reactants(
     counts = list(map(geom.count, rct_geos))
     rcts_keys = [
         list(map(key_dct.get, range(c0, c0 + c)))
-        for c0, c in itertools.pairwise([0] + counts)
+        for c0, c in mit.pairwise([0] + counts)
     ]
 
     # 5. Embed the TS structure, using distances from the *original* reactant

diff --git a/pyproject.toml b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "autochem"
-version = "2024.5.29"
+version = "2024.6.5"
 description = "A library for manipulating molecular descriptors"
 authors = ["Andreas Copan <avcopan@gmail.com>"]
 readme = "README.md"