Merge remote-tracking branch 'origin' into libs

Author: samwaseda

.binder/environment.yml

@@ -11,6 +11,6 @@ dependencies:
 - h5py =3.16.0
 - ase =3.28.0
 - sphinxdft-data =0.0.1
-- semantikon =1.0.0
+- semantikon =1.1.0
 - pint =0.25.3
 - pyyaml =6.0.3

.ci_support/environment.yml

@@ -11,6 +11,6 @@ dependencies:
 - h5py =3.16.0
 - ase =3.28.0
 - sphinxdft-data =0.0.1
-- semantikon =1.0.0
+- semantikon =1.1.0
 - pint =0.25.3
 - pyyaml =6.0.3

.github/workflows/preview-release.yml

@@ -0,0 +1,16 @@
+# This runs jobs which pyiron modules should run on release
+name: Release
+
+on:
+  pull_request:
+  release:
+    types: [ published ]
+
+jobs:
+  pyiron:
+    uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.2.1
+    secrets: inherit
+    with:
+      semantic-upper-bound: 'minor'
+      lower-bound-yaml: '.ci_support/lower_bound.yml'
+      publish-to-pypi: ${{ github.event_name == 'release' && github.event.action == 'published' }}

.github/workflows/release.yml

@@ -17,6 +17,6 @@ dependencies:
 - h5py =3.16.0
 - ase =3.28.0
 - sphinxdft-data =0.0.1
-- semantikon =1.0.0
+- semantikon =1.1.0
 - pint =0.25.3
 - pyyaml =6.0.3

docs/environment.yml

@@ -26,7 +26,7 @@ dependencies = [
    "numpy==2.4.3",
    "ase==3.28.0",
    "h5py==3.16.0",
-   "semantikon==1.0.0",
+   "semantikon==1.1.0",
    "pint==0.25.3",
    "pyyaml==6.0.3",
 ]