Updated the main executable

scripts/t4me

@@ -1,16 +1,17 @@
-"""Contains the main running script of T4ME."""
 #!/usr/bin/env python
+"""Contains the main running script of T4ME."""
+
+# pylint: disable=too-many-branches, too-many-statements, useless-import-alias, unused-import, unused-variable, no-member, no-name-in-module, invalid-name
 
 # python specifics
 import sys
 import logging
 
 # locals
-import t4me.utils as utils #pylint disable=useless-import-alias
-import t4me.constants as constants #pylint disable=useless-import-alias
+import t4me.utils as utils
 
 
-def main(): #pylint disable=too-many-branches, too-many-statements
+def main():  # noqa: MC0001
  """
  Main routine.
 
@@ -36,7 +37,7 @@ def main(): #pylint disable=too-many-branches, too-many-statements
 
  # configure logger
  utils.config_logger()
- logger = logging.getLogger(sys._getframe().f_code.co_name)
+ logger = logging.getLogger(sys._getframe().f_code.co_name) # pylint: disable=protected-access
 
  # these modules are loaded after we configure the logger
  # in case there are problems with third party libraries etc.
@@ -99,16 +100,8 @@ def main(): #pylint disable=too-many-branches, too-many-statements
  # read param file
  param = inputoutput.Param(inputoutput.readparam())
 
- # check if mpi4py is available (parallel could be
- # False or True at this point)
- try:
- import mpi4py
- except ImportError:
- # certainly do not run in parallel mode if
- # mpi4py cannot be loaded, regardless of what
- # the user wants
- inputoutput.mpi4py_message()
- param.parallel = False
+ # no parallelization at this point
+ param.parallel = False
 
  # generate lattice from param and input file
  lat = lattice.Lattice(param)
@@ -131,7 +124,9 @@ def main(): #pylint disable=too-many-branches, too-many-statements
  # check if the velocities exists, if not print a message and
  # continue
  if bs.gen_velocities:
- logger.info("Data for the band velocities does not exist. " "Skipping writing the band velocities to file " "and continuing.")
+ logger.info("Data for the band velocities does not exist. "
+ "Skipping writing the band velocities to file "
+ "and continuing.")
  else:
  inputoutput.dump_bandstruct_line(
  bs,
@@ -152,7 +147,8 @@ def main(): #pylint disable=too-many-branches, too-many-statements
  if lat.regular or param.dispersion_interpolate_method == "skw":
  # for a regular grid it is okey for us to extract velocities
  # on the fly
- logger.info("Interpolating the energies and extracting the " "velocities by interpolation.")
+ logger.info("Interpolating the energies and extracting the "
+ "velocities by interpolation.")
  bs.interpolate(store_inter=True, ivelocities=True)
  else:
  # only interpolate the eigenvalues
@@ -209,14 +205,15 @@ def main(): #pylint disable=too-many-branches, too-many-statements
  # calculate effective mass
  bs.calc_effective_mass()
  # write effective mass
- logger.error("Writeout of the effective mass tensor " "have not yet been included.")
+ logger.error("Writeout of the effective mass tensor "
+ "have not yet been included.")
  sys.exit(1)
  inputoutput.dump_effmass(bs, filename="effmass")
 
  # calculation of the density of states?
  if param.dos_calc:
  # calculate
- bs.calc_density_of_states(spin_degen=True)
+ bs.calc_density_of_states()
  # write dos
  inputoutput.dump_density_of_states(bs, filename="dos")