Add LooseVersion compatibility

The distutils LooseVersion class is replaced by the looseversion
package

src/msspec/iodata.py

@@ -17,7 +17,7 @@
 # along with this msspec.  If not, see <http://www.gnu.org/licenses/>.
 #
 # Source file  : src/msspec/iodata.py
-# Last modified: Wed, 18 Jun 2025 11:46:41 +0200
+# Last modified: Wed, 18 Jun 2025 13:30:09 +0200
 # Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr>
 
 
@@ -70,8 +70,7 @@ Here is an example of how to store values in a Data object:
 
 import os
 import sys
-from distutils.version import LooseVersion
+from looseversion import LooseVersion
-from distutils.version import StrictVersion
 from io import StringIO
 from datetime import datetime
 
@@ -80,9 +79,7 @@ from ase.io.extxyz import read_xyz, write_xyz
 import h5py
 import numpy as np
 from lxml import etree
-#from matplotlib.backends.backend_wxagg import FigureCanvasWx as FigureCanvas
 from matplotlib.backends.backend_agg import FigureCanvasAgg
-#from matplotlib.backends.backend_cairo import FigureCanvasCairo as FigureCanvasAgg
 from matplotlib.figure import Figure
 from matplotlib import pyplot as plt
 from terminaltables import AsciiTable
@@ -513,9 +510,7 @@ class DataSet(object):
                         if isinstance(value, t):
                             fmt = f
                             break
-                    #fd.write('  ')
                     fd.write(fmt.format(value))
-                    #fd.write(str(value) + ', ')
                 fd.write('\n')
 
     def __getitem__(self, itemspec):
@@ -560,7 +555,6 @@ class DataSet(object):
 
     def __len__(self):
         try:
-            #length = len(self._col_arrays[0])
             length = 0
             for array in self._col_arrays:
                 length = max(length, len(array))
@@ -953,7 +947,6 @@ class _DataSetView(object):
                     axes.set_yticklabels(theta_ticks)
 
                     cbar = figure.colorbar(im)
-                    #im.set_clim(0, 0.0275)
 
                 elif proj == 'polar':
                     values[0] = np.radians(values[0])
@@ -1003,7 +996,6 @@ class _DataSetView(object):
         root = etree.Element('view', name=self.title)
         for key, value in list(plotopts.items()):
             root.attrib[key] = str(value)
-        #root.attrib['dataset_name'] = self.dataset.title
 
         for tags, cond, legend in zip(self._selection_tags,
                                       self._selection_conditions,
@@ -1021,21 +1013,12 @@ class _DataSetView(object):
     def from_xml(self, xmlstr):
         root = etree.fromstring(xmlstr)
         self.title = root.attrib['name']
-        #self._plotopts['title'] = root.attrib['title']
-        #self._plotopts['xlabel'] = root.attrib['xlabel']
-        # self._plotopts['ylabel'] = root.attrib['ylabel']
-        # self._plotopts['grid'] = bool(root.attrib['grid'])
-        # self._plotopts['colorbar'] = bool(root.attrib['colorbar'])
-        # self._plotopts['projection'] = root.attrib['projection']
-        # self._plotopts['marker'] = root.attrib['marker']
         for key in list(self._plotopts.keys()):
             try:
                 self._plotopts[key] = eval(root.attrib.get(key))
             except:
                 self._plotopts[key] = root.attrib.get(key)
 
-
-
         legends = []
         conditions = []
         tags = []
@@ -1095,8 +1078,6 @@ if has_gui:
                 if is_hidden == "True":
                     continue
                 group = datatree.get(p['group'], [])
-                #strval = str(p['value'] * p['unit'] if p['unit'] else p['value'])
-                #group.append("{:s} = {:s}".format(p['name'], strval))
                 group.append("{} = {} {}".format(p['name'], p['value'], p['unit']))
                 datatree[p['group']] = group
 
@@ -1138,7 +1119,6 @@ if has_gui:
             # Add the notebook to hold all graphs
             self.notebooks = {}
             sizer = wx.BoxSizer(wx.VERTICAL)
-            #sizer.Add(self.notebook)
             self.SetSizer(sizer)
 
             self.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGED, self.on_page_changed)
@@ -1155,7 +1135,6 @@ if has_gui:
             for dset in self.data:
                 nb = wx.Notebook(self, -1)
                 self.notebooks[dset.title] = nb
-                #self.GetSizer().Add(nb, 1, wx.ALL|wx.EXPAND)
                 self.GetSizer().Add(nb, proportion=1, flag=wx.ALL|wx.EXPAND)
                 for view in dset.get_views():
                     self.create_page(nb, view)
@@ -1291,13 +1270,6 @@ if has_gui:
             cluster_viewer = ClusterViewer(win, size=wx.Size(480, 340))
 
             dset = self.data[self._current_dset]
-            #s = StringIO()
-            #s.write(dset.get_parameter(group='Cluster', name='cluster')['value'])
-            #_s = dset.get_parameter(group='Cluster', name='cluster')['value']
-            #print(_s)
-            # rewind to the begining of the string
-            #s.seek(0)
-            #atoms = ase.io.read(s, format='xyz')
             atoms = dset.get_cluster()
             cluster_viewer.set_atoms(atoms, rescale=True, center=True)
             cluster_viewer.rotate_atoms(0., 180.)
@@ -1405,41 +1377,7 @@ if has_gui:
 
 
 
-
-
-
-
-
-
-
-
 if __name__ == "__main__":
-    if False:
-        data = Data('all my data')
-        dset = data.add_dset('Dataset 0')
-        X = np.arange(0, 20)
-        Y = X**2
-
-        dset.add_columns(x=X, y=Y, z=X+2, w=Y**3)
-        dset.add_parameter(name='truc', group='main', value='3.14', unit='eV')
-        dset.add_parameter(name='machin', group='main', value='abc', unit='')
-
-    #     Z = [0,1]
-    #
-    #     for z in Z:
-    #         for x, y in zip(X, Y):
-    #             dset.add_row(x=x, y=y, z=z, random=np.random.rand())
-    #
-    #
-        view = dset.add_view('my view', autoscale=True)
-        view.select('x', 'y', where="z<10", legend=r"z = 0")
-        view.select('x', 'y', where="z>10", legend=r"z = 1")
-        print(dset.get_parameter(group='main'))
-        constraint = lambda a, b: (a > 10 and a < 15) and b > 0
-        indices = list(map(constraint, dset.x, dset.w))
-        print(dset.y[indices])
-
-        #data.view()
     import sys
     data = Data.load(sys.argv[1])
     data.view()

src/pip.freeze

@@ -1,6 +1,7 @@
 ase
 h5py
 ipython
+looseversion
 lxml
 matplotlib
 numpy