Basic modernisation of generic scripts

- Drop shebang lines and "if __name__ ..." logic, rely on entry point
  configuration

- Drop __future__ import

- Drop legacy spglib name

mctools/generic/get_energy.py

@@ -17,7 +17,6 @@
 #    along with this program.  If not, see <http://www.gnu.org/licenses/>.
 ###############################################################################
 
-from __future__ import absolute_import, print_function
 from argparse import ArgumentParser
 import ase.io
 

mctools/generic/get_minimum.py

@@ -1,4 +1,3 @@
-from __future__ import print_function, absolute_import
 import argparse
 import ase.io
 
@@ -49,7 +48,3 @@ def get_minimum(input_file='POSCAR',
         atoms.write(output_file, format="vasp", vasp5=True, direct=True)
     else:
         atoms.write(output_file, format=output_format)
-
-
-if __name__ == "__main__":
-    main()

mctools/generic/get_primitive.py

@@ -1,13 +1,8 @@
-#!/usr/bin/env python
-
-from __future__ import print_function, absolute_import
 import argparse
+
 import ase
 import ase.io
-try:
-    from spglib import spglib
-except ImportError:
-    from pyspglib import spglib
+import spglib
 
 
 def main():
@@ -118,7 +113,3 @@ def vprint(*args):
                 atoms.write(output_file, format="vasp", vasp5=True)
             else:
                 atoms.write(output_file, format=output_format)
-
-
-if __name__ == "__main__":
-    main()

mctools/generic/get_spacegroup.py

@@ -1,17 +1,10 @@
-#! /usr/bin/env python
 # -*- coding: utf-8 -*-
 
-from __future__ import print_function, absolute_import
 import argparse
 import os
 
 import ase.io
-
-
-try:
-    import spglib.spglib as spglib
-except ImportError:
-    import pyspglib.spglib as spglib
+import spglib
 
 
 def get_spacegroup(filename=False, format=False):
@@ -46,7 +39,3 @@ def main():
                         help="File format for ASE importer")
     args = parser.parse_args()
     get_spacegroup(filename=args.filename, format=args.format)
-
-
-if __name__ == "__main__":
-    main()

mctools/generic/get_volume.py

@@ -1,5 +1,3 @@
-#! /usr/bin/env python
-
 ###############################################################################
 # Copyright 2017 Adam Jackson
 ###############################################################################
@@ -17,7 +15,6 @@
 #    along with this program.  If not, see <http://www.gnu.org/licenses/>.
 ###############################################################################
 
-from __future__ import print_function
 import ase.io
 from argparse import ArgumentParser
 
@@ -28,7 +25,6 @@ def get_volume(filename):
 
 
 def main():
-
     parser = ArgumentParser(description="Read volume from chemical structure")
     parser.add_argument("filename", type=str, nargs='?',
                         default="geometry.in",
@@ -38,7 +34,3 @@ def main():
 
     volume = get_volume(args.filename)
     print(volume)
-
-
-if __name__ == '__main__':
-    main()

mctools/generic/vectors.py

@@ -1,4 +1,3 @@
-#! /usr/bin/env python
 # -*- encoding: utf-8 -*-
 """Get lattice vector in a, b, c, α, β, γ format from ase-compatible file"""
 
@@ -19,7 +18,6 @@
 #    along with this program.  If not, see <http://www.gnu.org/licenses/>.
 ###############################################################################
 
-from __future__ import absolute_import, print_function, division
 from optparse import OptionParser
 import numpy as np
 import ase.io
@@ -83,7 +81,3 @@ def main():
               '{5:.{7}f}'.format(a, b, c, alpha, beta, gamma,
                                  options.precision_length,
                                  options.precision_angle))
-
-
-if __name__ == '__main__':
-    main()