Bump atomistics from 0.0.3 to 0.0.5

.ci_support/environment.yml

@@ -2,7 +2,7 @@ channels:
 - conda-forge
 dependencies:
 - ase =3.22.1
-- atomistics =0.0.3
+- atomistics =0.0.5
 - coveralls
 - coverage
 - codacy-coverage

pyiron_atomistics/atomistics/master/murnaghan.py

@@ -5,14 +5,14 @@
 from __future__ import print_function
 from typing import Optional
 
-from atomistics.thermo.debye import DebyeModel
-from atomistics.evcurve.fit import (
+from atomistics.shared.thermo.debye import DebyeModel
+from atomistics.workflows.evcurve.fit import (
     EnergyVolumeFit,
     fitfunction,
     get_error,
     fit_leastsq_eos,
 )
-from atomistics.evcurve.calculator import _strain_axes
+from atomistics.workflows.evcurve.workflow import _strain_axes
 import matplotlib.pyplot as plt
 import numpy as np
 

pyiron_atomistics/atomistics/thermodynamics/thermo_bulk.py

@@ -2,7 +2,7 @@
 # Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
 # Distributed under the terms of "New BSD License", see the LICENSE file.
 
-from atomistics.thermo.thermo import ThermoBulk as AtomisticsThermoBulk
+from atomistics.shared.thermo.thermo import ThermoBulk as AtomisticsThermoBulk
 
 __author__ = "Joerg Neugebauer, Jan Janssen"
 __copyright__ = (

setup.py

@@ -43,7 +43,7 @@
     ]),
     install_requires=[
         'ase==3.22.1',
-        'atomistics==0.0.3',
+        'atomistics==0.0.5',
         'defusedxml==0.7.1',
         'h5py==3.9.0',
         'matplotlib==3.7.2',