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