Removed all f-strings.

By replacing f-strings by the standard ".format" call,
the package can be now compatible with python3.5

src/msspec/__init__.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -16,8 +17,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/__init__.py
-# Last modified: ven. 10 avril 2020 17:22:12
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 import ase

src/msspec/calcio.py

@@ -1,5 +1,25 @@
+#!/usr/bin/env python
 # coding: utf-8
-# vim: set et ts=4 sw=4 fdm=indent mouse=a cc=+1 tw=80:
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# msspec is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/msspec/calcio.py
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
+
 
 """
 Module calcio
@@ -910,7 +930,7 @@ class SpecIO(object):
         if content != old_content:
             with open(filename, 'w') as fd:
                 fd.write(content)
-                LOGGER.debug(f"Writing Spec input file written in {filename}")
+                LOGGER.debug("Writing Spec input file written in {}".format(filename))
             modified = True
 
         return modified
@@ -1255,13 +1275,13 @@ class CompCurveIO(object):
         data = []
         for i in range(1, 13):
             #data.append(np.loadtxt(prefix + f'{i:02d}' + '.txt')[-1])
-            results = np.loadtxt(prefix + f'{i:02d}' + '.txt')
+            results = np.loadtxt(prefix + '{:02d}'.format(i) + '.txt')
             results = results.reshape((-1, 2))
             data.append(results[index,1])
         suffix = 'ren'
         exp = {'int': None, 'ren': None, 'chi': None, 'cdf': None}
         exp_ren = np.loadtxt(os.path.join('exp', 'div',
-                                          f'experiment_{suffix}.txt'))
+                                          'experiment_{}.txt'.format(suffix)))
         calc_ren = np.loadtxt(os.path.join('calc', 'div',
-                                           f'calculation{index:d}_{suffix}.txt'))
+                                           'calculation{:d}_{}.txt'.format(index,suffix)))
         return data, exp_ren, calc_ren

src/msspec/calculator.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -16,8 +17,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/calculator.py
-# Last modified: ven. 10 avril 2020 17:19:24
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -1122,7 +1123,7 @@ class RFACTOR(object):
         for i in range(noif):
             X, Y = args[2*i], args[2*i+1]
             fname = os.path.join('calc',
-                                 f'calculation{self.stack_count:d}.txt')
+                                 'calculation{:d}.txt'.format(self.stack_count))
             # And save to the working space
             np.savetxt(fname, np.transpose([X, Y]))
             self.stack_count += 1
@@ -1130,7 +1131,7 @@ class RFACTOR(object):
         # Update the list of input calculation files
         self._params.calc_filename = []
         for i in range(self.stack_count):
-            fname = os.path.join('calc', f'calculation{i:d}.txt')
+            fname = os.path.join('calc', 'calculation{:d}.txt'.format(i))
             self._params.calc_filename.append(fname)
 
         # Write the input file
@@ -1225,23 +1226,23 @@ class RFACTOR(object):
             dset_values.x, dset_values.yref = exp_data.T
             # Append the calculated values
             ycalc = calc_data[:,1]
-            dset_values.add_columns(**{f"calc{i:d}": ycalc})
+            dset_values.add_columns(**{"calc{:d}".format(i): ycalc})
-            dset_rfc.add_columns(**{f'variable_set{i:d}': rfc})
+            dset_rfc.add_columns(**{'variable_set{:d}'.format(i): rfc})
 
         # Plot the curves
         view_values.select('x', 'yref', legend='Reference values')
         title = ''
         for k,v in self.best_values.items():
-            title += f'{k}={v} '
+            title += '{}={} '.format(k, v)
-        view_values.select('x', f"calc{self.index:d}",
+        view_values.select('x', "calc{:d}".format(self.index),
                            legend="Best calculated values")
         view_values.set_plot_options(title=title)
 
         view_results.select('counts')
 
         for i in range(self.stack_count):
-            view_rfc.select('rfactor_number', f'variable_set{i:d}',
+            view_rfc.select('rfactor_number', 'variable_set{:d}'.format(i),
-                            legend=f"variables set #{i:d}")
+                            legend="variables set #{:d}".format(i))
         # Save the parameters
         for p in self.get_parameters():
             bundle = {'group': str(p.group),

src/msspec/cli.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -18,8 +19,8 @@
 # along with msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/cli.py
-# Last modified: jeu. 04 juin 2020 16:54:12
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 import sys

src/msspec/create_tests_results.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -18,8 +19,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/create_tests_results.py
-# Last modified: ven. 10 avril 2020 17:29:16
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 from msspec.tests import create_tests_results

src/msspec/data/__init__.py

@@ -1,5 +1,24 @@
-# -*- encoding: utf-8 -*-
+#!/usr/bin/env python
-# vim: set fdm=indent ts=4 sw=4 sts=4 et ai tw=80 cc=+0 mouse=a nu : #
+# coding: utf-8
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# msspec is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/msspec/data/__init__.py
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 from .electron_be import electron_be

src/msspec/data/electron_be.py

@@ -1,4 +1,24 @@
+#!/usr/bin/env python
 # coding: utf-8
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# msspec is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/msspec/data/electron_be.py
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 """
 Module electron_be

src/msspec/iodata.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -16,8 +17,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/iodata.py
-# Last modified: ven. 10 avril 2020 17:23:11
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -442,24 +443,24 @@ class DataSet(object):
             for k, v in parameters.items():
                 if k == 'Cluster':
                     continue
-                s += f"# {k}:\n"
+                s += "# {}:\n".format(k)
                 if not(isinstance(v, list)):
                     v = [v,]
                 for p in v:
-                    s += f"#       {p['name']} = {p['value']} {p['unit']}\n"
+                    s += "#       {} = {} {}\n".format(p['name'], p['value'], p['unit'])
             return s
 
         colnames = self.columns()
         with open(filename, mode) as fd:
             # write the date and time of export
             now = datetime.now()
-            fd.write(f"# Data exported on {now}\n")
+            fd.write("# Data exported on {}\n".format(now))
             fd.write(rule)
 
             # Append notes
             fd.write("# NOTES:\n")
             for line in self.notes.split('\n'):
-                fd.write(f"#    {line}\n")
+                fd.write("#    {}\n".format(line))
             fd.write(rule)
 
             # Append parameters

src/msspec/iodata_gi.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -15,9 +16,9 @@
 # You should have received a copy of the GNU General Public License
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
-# Source file  : src/msspec/iodata.py
+# Source file  : src/msspec/iodata_gi.py
-# Last modified: ven. 10 avril 2020 17:23:11
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -491,24 +492,24 @@ class DataSet(object):
             for k, v in parameters.items():
                 if k == 'Cluster':
                     continue
-                s += f"# {k}:\n"
+                s += "# {}:\n".format(k)
                 if not(isinstance(v, list)):
                     v = [v,]
                 for p in v:
-                    s += f"#       {p['name']} = {p['value']} {p['unit']}\n"
+                    s += "#       {} = {} {}\n".format(p['name'], p['value'], p['unit'])
             return s
 
         colnames = self.columns()
         with open(filename, mode) as fd:
             # write the date and time of export
             now = datetime.now()
-            fd.write(f"# Data exported on {now}\n")
+            fd.write("# Data exported on {}\n".format(now))
             fd.write(rule)
 
             # Append notes
             fd.write("# NOTES:\n")
             for line in self.notes.split('\n'):
-                fd.write(f"#    {line}\n")
+                fd.write("#    {}\n".format(line))
             fd.write(rule)
 
             # Append parameters

src/msspec/iodata_wx.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -15,9 +16,9 @@
 # You should have received a copy of the GNU General Public License
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
-# Source file  : src/msspec/iodata.py
+# Source file  : src/msspec/iodata_wx.py
-# Last modified: ven. 10 avril 2020 17:23:11
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -437,24 +438,24 @@ class DataSet(object):
             for k, v in parameters.items():
                 if k == 'Cluster':
                     continue
-                s += f"# {k}:\n"
+                s += "# {}:\n".format(k)
                 if not(isinstance(v, list)):
                     v = [v,]
                 for p in v:
-                    s += f"#       {p['name']} = {p['value']} {p['unit']}\n"
+                    s += "#       {} = {} {}\n".format(p['name'], p['value'], p['unit'])
             return s
 
         colnames = self.columns()
         with open(filename, mode) as fd:
             # write the date and time of export
             now = datetime.now()
-            fd.write(f"# Data exported on {now}\n")
+            fd.write("# Data exported on {}\n".format(now))
             fd.write(rule)
 
             # Append notes
             fd.write("# NOTES:\n")
             for line in self.notes.split('\n'):
-                fd.write(f"#    {line}\n")
+                fd.write("#    {}\n".format(line))
             fd.write(rule)
 
             # Append parameters

src/msspec/looper.py

@@ -1,6 +1,24 @@
-# coding: utf8
+#!/usr/bin/env python
-# -*- encoding: future_fstrings -*-
+# coding: utf-8
-# vim: set et sw=4 ts=4 nu tw=79 cc=+1:
+#
+# Copyright © 2016-2020 - Rennes Physics Institute
+#
+# This file is part of msspec.
+#
+# msspec is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# msspec is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
+#
+# Source file  : src/msspec/looper.py
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 from collections import OrderedDict
 from functools import partial
@@ -21,7 +39,7 @@ class Variable:
         self.doc = doc
 
     def __repr__(self):
-        return f"<Variable(\'{self.name}\')>"
+        return "<Variable(\'{}\')>".format(self.name)
 
 class Sweep:
     def __init__(self, key, comments="", unit=None,

src/msspec/misc.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -18,8 +19,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/misc.py
-# Last modified: ven. 10 avril 2020 17:30:42
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """

src/msspec/parameters.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -18,8 +19,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/parameters.py
-# Last modified: ven. 10 avril 2020 17:31:50
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -2012,20 +2013,20 @@ class CompCurveGeneralParameters(BaseParameters):
         value = p.allowed_values.index(p.value)
         self.compcurve_parameters.general_norm = value
         LOGGER.info("Curve Comparison: Normalization mode set to "
-                    f"\"{p.value}\"")
+                    "\"{}\"".format(p.value))
 
     def bind_rescale(self, p):
         self.compcurve_parameters.general_iscale = int(p.value)
         state = "deactivated"
         if p.value:
             state = "activated"
-        LOGGER.info(f"Curve Comparison: Rescaling of data {state}")
+        LOGGER.info("Curve Comparison: Rescaling of data {}".format(state))
 
     def bind_function(self, p):
         value = p.allowed_values.index(p.value)
         self.compcurve_parameters.general_icur = value
         LOGGER.info("Curve Comparison: Type of data used for comparison "
-                    f"set to \"{p.value}\"")
+                    "set to \"{}\"".format(p.value))
 
 
 

src/msspec/tests.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -16,8 +17,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/tests.py
-# Last modified: ven. 10 avril 2020 17:33:28
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 import os

src/msspec/utils.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -18,8 +19,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/utils.py
-# Last modified: ven. 10 avril 2020 15:49:35
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 """
@@ -66,7 +67,7 @@ class ForeignPotential(object):
         self.phagen_data = {'types': []}
 
     def write(self, filename, prototypical_atoms):
-        LOGGER.debug(f"Writing Phagen input potential file: {filename}")
+        LOGGER.debug("Writing Phagen input potential file: {}".format(filename))
 
         def DEPRECATEDappend_atom_potential(atom):
             Z = atom.number
@@ -77,8 +78,8 @@ class ForeignPotential(object):
                     itypes.append(i)
             # Check now that we have only one type in the list
             # otherwise we do not know yet how to deal with this.
-            assert len(itypes) > 0, f"Cannot find the data for atom with Z={Z}"
+            assert len(itypes) > 0, "Cannot find the data for atom with Z={}".format(Z)
-            assert len(itypes) == 1, f"Too many datasets for atom with Z={Z}"
+            assert len(itypes) == 1, "Too many datasets for atom with Z={}".format(Z)
             # So far so good, let's write the block
             t = self.phagen_data['types'][itypes[0]]
             s = "{:<7d}{:<10d}{:1.4f}\n".format(
@@ -91,7 +92,7 @@ class ForeignPotential(object):
         def append_atom_potential(atom):
             line_fmt = "{:+1.8e} " * 4 + "\n"
             atom_type = atom.get('atom_type')
-            assert atom_type != None, f"Unable get the atom type!"
+            assert atom_type != None, "Unable get the atom type!"
             for t in self.phagen_data['types']:
                 if t['atom_type'] == atom_type:
                     s = "{:<7d}{:<10d}{:1.4f}\n".format(
@@ -134,7 +135,7 @@ class SPRKKRPotential(ForeignPotential):
         self.potfile = potfile
         self.load_sprkkr_atom_types()
         for f in exported_files:
-            LOGGER.info(f"Loading file {f}...")
+            LOGGER.info("Loading file {}...".format(f))
             # get the IT from the filename
             m=re.match('SPRKKR-IT_(?P<IT>\d+)-PHAGEN.*', os.path.basename(f))
             it = int(m.group('IT'))
@@ -188,7 +189,7 @@ class SPRKKRPotential(ForeignPotential):
             return data
 
         # load info in *.pot file
-        LOGGER.info(f"Loading SPRKKR *.pot file {self.potfile}...")
+        LOGGER.info("Loading SPRKKR *.pot file {}...".format(self.potfile))
         with open(self.potfile, 'r') as fd:
             content = fd.read()
 
@@ -229,7 +230,7 @@ class SPRKKRPotential(ForeignPotential):
                     IT = occupation['ITOQ']
                     atom = self.atoms[i]
                     atom.set('atom_type', IT)
-            LOGGER.debug(f"Site #{IQ} is type #{IT}, atom {atom}")
+            LOGGER.debug("Site #{} is type #{}, atom {}".format(IQ, IT, atom))
 
 
 

src/msspec/version.py

@@ -1,4 +1,5 @@
 #!/usr/bin/env python
+# coding: utf-8
 #
 # Copyright © 2016-2020 - Rennes Physics Institute
 #
@@ -16,8 +17,8 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/version.py
-# Last modified: ven. 10 avril 2020 17:34:38
+# Last modified: Mon, 27 Sep 2021 17:49:48 +0200
-# Committed by : "Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>"
+# Committed by : sylvain tricot <sylvain.tricot@univ-rennes1.fr>
 
 
 import os

src/options.mk

@@ -1,6 +1,6 @@
 PYTHON   = python
 PYMAJ    = 3
-PYMIN    = 6
+PYMIN    = 5
 
 FC       = gfortran
 F2PY     = f2py3 --f77exec=$(FC) --f90exec=$(FC)