Author: Andreas Tille <tille@debian.org>
Last-Update: Fri, 19 Feb 2021 13:48:25 +0100
Bug-Debian: https://bugs.debian.org/982171
Description: Fix some issues recent Python3 is more picky than before

--- a/psi4/driver/procrouting/proc.py
+++ b/psi4/driver/procrouting/proc.py
@@ -1113,7 +1113,7 @@ def scf_helper(name, post_scf=True, **kw
     # Grab a few kwargs
     use_c1 = kwargs.get('use_c1', False)
     scf_molecule = kwargs.get('molecule', core.get_active_molecule())
-    read_orbitals = core.get_option('SCF', 'GUESS') is "READ"
+    read_orbitals = core.get_option('SCF', 'GUESS') == "READ"
     do_timer = kwargs.pop("do_timer", True)
     ref_wfn = kwargs.pop('ref_wfn', None)
     if ref_wfn is not None:
--- a/psi4/driver/qcdb/modelchems.py
+++ b/psi4/driver/qcdb/modelchems.py
@@ -92,7 +92,7 @@ class QCEssential(object):
         text += """  DOI:                  %s\n""" % (self.doi)
         text += """  Literature citations:\n"""
         for rol, cit in self.citations.items():
-            text += """    %17s: %s\n""" (rol, cit.doi)
+            text += """    %17s: %s\n""" % (rol, cit.doi)
         text += """  Comment:              %s\n""" % (self.comment)
         text += """\n"""
         return text
@@ -145,7 +145,7 @@ class BasisSet(QCEssential):
         text += """  DOI:                  %s\n""" % (self.doi)
         text += """  Literature citations:\n"""
         for rol, cit in self.citations.items():
-            text += """    %17s: %s\n""" (rol, cit.doi)
+            text += """    %17s: %s\n""" % (rol, cit.doi)
         text += """  Comment:              %s\n""" % (self.comment)
         text += """\n"""
         return text
@@ -167,7 +167,7 @@ class Method(QCEssential):
         text += """  DOI:                  %s\n""" % (self.doi)
         text += """  Literature citations:\n"""
         for rol, cit in self.citations.items():
-            text += """    %17s: %s\n""" (rol, cit.doi)
+            text += """    %17s: %s\n""" % (rol, cit.doi)
         text += """  Comment:              %s\n""" % (self.comment)
         text += """\n"""
         return text
@@ -189,7 +189,7 @@ class Error(QCEssential):
         text += """  DOI:                  %s\n""" % (self.doi)
         text += """  Literature citations:\n"""
         for rol, cit in self.citations.items():
-            text += """    %17s: %s\n""" (rol, cit.doi)
+            text += """    %17s: %s\n""" % (rol, cit.doi)
         text += """  Comment:              %s\n""" % (self.comment)
         text += """\n"""
         return text
@@ -211,7 +211,7 @@ class Error(QCEssential):
 #        text += """  DOI:                  %s\n""" % (self.doi)
 #        text += """  Literature citations:\n"""
 #        for rol, cit in self.citations.items():
-#            text += """    %17s: %s\n""" (rol, cit.doi)
+#            text += """    %17s: %s\n""" % (rol, cit.doi)
 #        text += """  Comment:              %s\n""" % (self.comment)
 #        text += """\n"""
 #        return text