Merge pull request #1819 from pyiron/atomistics

Update atomistics to 0.3.0

Author: jan-janssen

.ci_support/environment-docs.yml

@@ -7,7 +7,7 @@ dependencies:
 - myst-parser
 - aimsgb =1.1.0
 - ase =3.25.0
-- atomistics =0.2.5
+- atomistics =0.3.0
 - defusedxml =0.7.1
 - h5py =3.13.0
 - matplotlib-base =3.10.1

.ci_support/environment-notebooks.yml

@@ -2,6 +2,7 @@ channels:
 - conda-forge
 dependencies:
 - gpaw =24.1.0
+- gpaw-data <1
 - jupyter
 - lammps =2024.06.27=*_openmpi_*
 - nglview

.ci_support/environment.yml

@@ -3,7 +3,7 @@ channels:
 dependencies:
 - aimsgb =1.1.0
 - ase =3.25.0
-- atomistics =0.2.5
+- atomistics =0.3.0
 - coverage
 - defusedxml =0.7.1
 - h5py =3.13.0

binder/environment.yml

@@ -3,7 +3,7 @@ channels:
 dependencies:
 - aimsgb =1.1.0
 - ase =3.25.0
-- atomistics =0.2.5
+- atomistics =0.3.0
 - defusedxml =0.7.1
 - h5py =3.13.0
 - matplotlib-base =3.10.1

pyproject.toml

@@ -25,7 +25,7 @@ classifiers = [
 ]
 dependencies = [
     "ase==3.25.0",
-    "atomistics==0.2.5",
+    "atomistics==0.3.0",
     "defusedxml==0.7.1",
     "h5py==3.13.0",
     "matplotlib==3.10.1",