diff -Naur python-ase-3.7.1.3184.orig/ase/calculators/castep.py python-ase-3.7.1.3184/ase/calculators/castep.py
--- python-ase-3.7.1.3184.orig/ase/calculators/castep.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/calculators/castep.py 2013-06-21 18:55:15.787386759 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
# -*- coding: utf-8 -*-
"""This module defines an interface to CASTEP for
use by the ASE (Webpage: http://wiki.fysik.dtu.dk/ase)
diff -Naur python-ase-3.7.1.3184.orig/ase/calculators/jacapo/setup.py python-ase-3.7.1.3184/ase/calculators/jacapo/setup.py
--- python-ase-3.7.1.3184.orig/ase/calculators/jacapo/setup.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/calculators/jacapo/setup.py 2013-06-21 18:55:15.385385219 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from distutils.core import setup
from glob import glob
diff -Naur python-ase-3.7.1.3184.orig/ase/calculators/lammps.py python-ase-3.7.1.3184/ase/calculators/lammps.py
--- python-ase-3.7.1.3184.orig/ase/calculators/lammps.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/ase/calculators/lammps.py 2013-06-21 18:55:15.687386376 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
# lammps.py (2011/03/29)
# An ASE calculator for the LAMMPS classical MD code available from
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/ag.py python-ase-3.7.1.3184/ase/gui/ag.py
--- python-ase-3.7.1.3184.orig/ase/gui/ag.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/ag.py 2013-06-21 18:55:18.014395291 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
# Copyright 2008, 2009
# CAMd (see accompanying license files for details).
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/constraints.py python-ase-3.7.1.3184/ase/gui/constraints.py
--- python-ase-3.7.1.3184.orig/ase/gui/constraints.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/constraints.py 2013-06-21 18:55:18.113395670 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from math import sqrt
import gtk
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/dft.py python-ase-3.7.1.3184/ase/gui/dft.py
--- python-ase-3.7.1.3184.orig/ase/gui/dft.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/dft.py 2013-06-21 18:55:17.838394617 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from math import sqrt
import gtk
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/execute.py python-ase-3.7.1.3184/ase/gui/execute.py
--- python-ase-3.7.1.3184.orig/ase/gui/execute.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/execute.py 2013-06-21 18:55:17.997395226 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import __future__
import gtk
from gettext import gettext as _
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/graphs.py python-ase-3.7.1.3184/ase/gui/graphs.py
--- python-ase-3.7.1.3184.orig/ase/gui/graphs.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/graphs.py 2013-06-21 18:55:17.986395184 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from math import sqrt
import gtk
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/movie.py python-ase-3.7.1.3184/ase/gui/movie.py
--- python-ase-3.7.1.3184.orig/ase/gui/movie.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/movie.py 2013-06-21 18:55:17.964395099 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import gtk
from gettext import gettext as _
import gobject
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/render.py python-ase-3.7.1.3184/ase/gui/render.py
--- python-ase-3.7.1.3184.orig/ase/gui/render.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/render.py 2013-06-21 18:55:17.920394931 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import gtk
from gettext import gettext as _
from ase.gui.widgets import pack, Help, oops
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/repeat.py python-ase-3.7.1.3184/ase/gui/repeat.py
--- python-ase-3.7.1.3184.orig/ase/gui/repeat.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/repeat.py 2013-06-21 18:55:17.777394383 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import gtk
from math import sqrt
from gettext import gettext as _
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/settings.py python-ase-3.7.1.3184/ase/gui/settings.py
--- python-ase-3.7.1.3184.orig/ase/gui/settings.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/settings.py 2013-06-21 18:55:17.784394410 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import gtk
from ase.gui.widgets import pack
from gettext import gettext as _
diff -Naur python-ase-3.7.1.3184.orig/ase/gui/view.py python-ase-3.7.1.3184/ase/gui/view.py
--- python-ase-3.7.1.3184.orig/ase/gui/view.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/gui/view.py 2013-06-21 18:55:17.764394333 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
# Emacs: treat this as -*- python -*-
diff -Naur python-ase-3.7.1.3184.orig/ase/infrared.py python-ase-3.7.1.3184/ase/infrared.py
--- python-ase-3.7.1.3184.orig/ase/infrared.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/infrared.py 2013-06-21 18:55:14.946383537 +0200
@@ -107,7 +107,6 @@
Example:
- >>> #!/usr/bin/env python
>>> from ase.io import read
>>> from ase.calculators.siesta import Siesta
diff -Naur python-ase-3.7.1.3184.orig/ase/lattice/compounds.py python-ase-3.7.1.3184/ase/lattice/compounds.py
--- python-ase-3.7.1.3184.orig/ase/lattice/compounds.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/lattice/compounds.py 2013-06-21 18:55:17.195392153 +0200
@@ -86,7 +86,6 @@
Example::
- #!/usr/bin/env python
from ase.lattice.hexagonal import *
from ase.lattice.compounds import *
@@ -131,7 +130,6 @@
O .3059 0 1/4 .0068 .0083 .00046 .0042 .00058 .0012
Example:
- #!/usr/bin/env python
from ase.lattice.hexagonal import *
from ase.lattice.compounds import *
import ase.io as io
diff -Naur python-ase-3.7.1.3184.orig/ase/test/castep/castep_interface.py python-ase-3.7.1.3184/ase/test/castep/castep_interface.py
--- python-ase-3.7.1.3184.orig/ase/test/castep/castep_interface.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/test/castep/castep_interface.py 2013-06-21 18:55:16.650390065 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
"""Simple shallow test of the CASTEP interface"""
import os
diff -Naur python-ase-3.7.1.3184.orig/ase/test/vasp/vasp_Al_volrelax.py python-ase-3.7.1.3184/ase/test/vasp/vasp_Al_volrelax.py
--- python-ase-3.7.1.3184.orig/ase/test/vasp/vasp_Al_volrelax.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/test/vasp/vasp_Al_volrelax.py 2013-06-21 18:55:16.468389368 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
"""
Run VASP tests to ensure that relaxation with the VASP calculator works.
diff -Naur python-ase-3.7.1.3184.orig/ase/test/vasp/vasp_co.py python-ase-3.7.1.3184/ase/test/vasp/vasp_co.py
--- python-ase-3.7.1.3184.orig/ase/test/vasp/vasp_co.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/test/vasp/vasp_co.py 2013-06-21 18:55:16.461389341 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
"""
Run some VASP tests to ensure that the VASP calculator works. This
diff -Naur python-ase-3.7.1.3184.orig/ase/test/vtk_data.py python-ase-3.7.1.3184/ase/test/vtk_data.py
--- python-ase-3.7.1.3184.orig/ase/test/vtk_data.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/test/vtk_data.py 2013-06-21 18:55:16.228388448 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import sys
diff -Naur python-ase-3.7.1.3184.orig/ase/test/vtk_pipeline.py python-ase-3.7.1.3184/ase/test/vtk_pipeline.py
--- python-ase-3.7.1.3184.orig/ase/test/vtk_pipeline.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/test/vtk_pipeline.py 2013-06-21 18:55:16.688390211 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from ase.visualize.vtk import requirevtk
diff -Naur python-ase-3.7.1.3184.orig/ase/thermochemistry.py python-ase-3.7.1.3184/ase/thermochemistry.py
--- python-ase-3.7.1.3184.orig/ase/thermochemistry.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/thermochemistry.py 2013-06-21 18:55:17.586393651 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
"""Modules for calculating thermochemical information from computational
outputs."""
diff -Naur python-ase-3.7.1.3184.orig/ase/utils/adsorb.py python-ase-3.7.1.3184/ase/utils/adsorb.py
--- python-ase-3.7.1.3184.orig/ase/utils/adsorb.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/utils/adsorb.py 2013-06-21 18:55:14.640382365 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
# Copyright 2010 CAMd
# (see accompanying license files for details).
diff -Naur python-ase-3.7.1.3184.orig/ase/utils/molecule_test.py python-ase-3.7.1.3184/ase/utils/molecule_test.py
--- python-ase-3.7.1.3184.orig/ase/utils/molecule_test.py 2013-05-16 09:53:16.000000000 +0200
+++ python-ase-3.7.1.3184/ase/utils/molecule_test.py 2013-06-21 18:55:14.631382330 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
"""This module defines extensible classes for running tests on molecules.
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/ase_castep_demo.py python-ase-3.7.1.3184/doc/ase/calculators/ase_castep_demo.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/ase_castep_demo.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/ase_castep_demo.py 2013-06-21 18:55:19.635401501 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
"""This simple demo calculates the total energy of CO molecules
using once LDA and once PBE as xc-functional. Obviously
some parts in this scripts are longer than necessary, but are shown
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/dftb_ex1_relax.py python-ase-3.7.1.3184/doc/ase/calculators/dftb_ex1_relax.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/dftb_ex1_relax.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/dftb_ex1_relax.py 2013-06-21 18:55:19.653401570 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import os
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/dftb_ex2_relax.py python-ase-3.7.1.3184/doc/ase/calculators/dftb_ex2_relax.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/dftb_ex2_relax.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/dftb_ex2_relax.py 2013-06-21 18:55:19.628401474 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/python
from ase.io import read, write
from ase.calculators.dftb import Dftb
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/gromacs_example_mm_relax2.py python-ase-3.7.1.3184/doc/ase/calculators/gromacs_example_mm_relax2.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/gromacs_example_mm_relax2.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/gromacs_example_mm_relax2.py 2013-06-21 18:55:19.716401812 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
"""
An example for using gromacs calculator in ase.
Atom positions are relaxed.
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/gromacs_example_mm_relax.py python-ase-3.7.1.3184/doc/ase/calculators/gromacs_example_mm_relax.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/gromacs_example_mm_relax.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/gromacs_example_mm_relax.py 2013-06-21 18:55:19.691401716 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
""" An example for using gromacs calculator in ase.
Atom positions are relaxed.
A sample call:
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/test_ase_qmmm_manyqm.py python-ase-3.7.1.3184/doc/ase/calculators/test_ase_qmmm_manyqm.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/test_ase_qmmm_manyqm.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/test_ase_qmmm_manyqm.py 2013-06-21 18:55:19.622401451 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
""" demo run for ase_qmmm_manyqm calculator """
# ./test_ase_qmmm_manyqm.py gromacs_mm-relax.g96
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex1_relax.py python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex1_relax.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex1_relax.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex1_relax.py 2013-06-21 18:55:19.671401639 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import os
from ase.io import read,write
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex2_diffuse_usingNEB.py python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex2_diffuse_usingNEB.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex2_diffuse_usingNEB.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex2_diffuse_usingNEB.py 2013-06-21 18:55:19.697401739 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import os
diff -Naur python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex3_restart_diffuse_usingNEB.py python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex3_restart_diffuse_usingNEB.py
--- python-ase-3.7.1.3184.orig/doc/ase/calculators/turbomole_ex3_restart_diffuse_usingNEB.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/ase/calculators/turbomole_ex3_restart_diffuse_usingNEB.py 2013-06-21 18:55:19.703401762 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
import os
diff -Naur python-ase-3.7.1.3184.orig/doc/exercises/siesta2/siesta2.py python-ase-3.7.1.3184/doc/exercises/siesta2/siesta2.py
--- python-ase-3.7.1.3184.orig/doc/exercises/siesta2/siesta2.py 2013-05-16 09:53:15.000000000 +0200
+++ python-ase-3.7.1.3184/doc/exercises/siesta2/siesta2.py 2013-06-21 18:55:19.774402034 +0200
@@ -1,4 +1,3 @@
-#!/usr/bin/env python
from ase.io import read
from ase.constraints import FixAtoms
from ase.calculators.siesta import Siesta