Bump pymatgen and keep types

materialsvirtuallab · Nov 29, 2023 · c78617d · c78617d
1 parent 4e3ad4a
commit c78617d
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/matcalc/eos.py b/matcalc/eos.py
@@ -98,7 +98,7 @@ def calc(self, structure: Structure) -> dict:
         bm = BirchMurnaghan(volumes=volumes, energies=energies)
         bm.fit()
 
-        volumes, energies = zip(*sorted(zip(volumes, energies), key=lambda i: i[0]))
+        volumes, energies = map(list, zip(*sorted(zip(volumes, energies), key=lambda i: i[0])))
 
         return {
             "eos": {"volumes": volumes, "energies": energies},

diff --git a/requirements.txt b/requirements.txt
@@ -1,4 +1,4 @@
-pymatgen==2023.7.20
+pymatgen==2023.11.12
 ase==3.22.1
 joblib==1.3.1
 phonopy==2.20.0