Merge pull request #157 from regro-cf-autotick-bot/0.6.0_h739f31

[bot-automerge] pyiron_atomistics v0.6.0

recipe/meta.yaml

@@ -1,20 +1,18 @@
 {% set name = "pyiron_atomistics" %}
-{% set version = "0.5.4" %}
+{% set version = "0.6.0" %}
 
 package:
   name: {{ name|lower }}
   version: {{ version }}
 
 source:
   url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
-  sha256: c6aabf5db1b0da91a07edb1446f6358f3c17923dc2e398e3e1ce5929338985ce
-  patches:
-    - elastic.patch
+  sha256: cd5344ebf9780694ef972f5d821200a4c36993d74d9f12e6d108905b6bc2fb0d
 
 build:
   noarch: python
   script: {{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
-  number: 1
+  number: 0
 
 requirements:
   host:
@@ -33,6 +31,7 @@ requirements:
     - phonopy
     - pint
     - pyiron_base
+    - pyiron_snippets
     - scipy
     - seekpath
     - scikit-learn
@@ -41,25 +40,26 @@ requirements:
     - versioneer
     - toml
   run:
+    - pyiron_snippets ==0.1.1
     - python >=3.9,<3.13
-    - ase ==3.22.1
-    - atomistics ==0.1.27
+    - ase >=3.22.1,<=3.23.0
+    - atomistics >=0.1.27,<=0.1.29
     - defusedxml >=0.7.0,<=0.7.1
     - h5py >=3.9.0,<=3.11.0
     - matplotlib-base >=3.5.3,<=3.8.4
-    - mendeleev >=0.12.0,<=0.15.0
+    - mendeleev >=0.12.0,<=0.16.2
     - mp-api >=0.37.0,<=0.41.2
     - numpy >=1.26.0,<=1.26.4
     - pandas >=2.0.3,<=2.2.2
-    - phonopy >=2.20.0,<=2.22.1
+    - phonopy >=2.20.0,<=2.23.1
     - pint >=0.18,<=0.23
-    - pyiron_base >=0.7.7,<=0.8.3
-    - pylammpsmpi >=0.2.7,<=0.2.18
-    - scipy >=1.11.1,<=1.13.0
-    - scikit-learn >=1.2.1,<=1.4.2
+    - pyiron_base >=0.8.1,<=0.9.0
+    - pylammpsmpi >=0.2.12,<=0.2.19
+    - scipy >=1.11.1,<=1.13.1
+    - scikit-learn >=1.2.1,<=1.5.0
     - seekpath >=1.9.5,<=2.1.0
     - spglib >=2.0.2,<=2.4.0
-    - structuretoolkit >=0.0.19,<=0.0.22
+    - structuretoolkit >=0.0.19,<=0.0.24
 
 test:
   imports: