Package: python-ase / 3.12.0-2

numpy1.12.patch Patch series | download
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Description: Fix for NumPy 1.12
 Integers to negative integer powers are not allowed
Forwarded: https://gitlab.com/ase/ase/merge_requests/387
Bug-Debian: https://bugs.debian.org/848744
Author: Graham Inggs <ginggs@debian.org>
Last-Update: 2016-12-24
--- a/ase/vibrations/franck_condon.py
+++ b/ase/vibrations/franck_condon.py
@@ -38,7 +38,7 @@
         S[mask] = 1  # hide zeros
         s = 0
         for k in range(n + 1):
-            s += (-1)**(n - k) * S**(-k) / (
+            s += (-1)**(n - k) * S**float(-k) / (
                 self.factorial(k) *
                 self.factorial(n - k) * self.factorial(m - k))
         res = np.exp(-S) * S**(n + m) * s**2 * (