Merge pull request #38 from pyiron/py312

Update to Python 3.12

.github/workflows/deploy.yml

@@ -50,7 +50,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Load Release URL File from release job
       uses: actions/download-artifact@v1
       with:
@@ -99,7 +99,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Load Release URL File from release job
       uses: actions/download-artifact@v1
       with:
@@ -148,7 +148,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Load Release URL File from release job
       uses: actions/download-artifact@v1
       with:

.github/workflows/test.yml

@@ -14,7 +14,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Build Constructor
       shell: bash -l {0}
       run: |
@@ -31,7 +31,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Build Constructor
       shell: bash -l {0}
       run: |
@@ -48,7 +48,7 @@ jobs:
     - uses: conda-incubator/setup-miniconda@v2
       with:
         auto-update-conda: true
-        python-version: "3.11"
+        python-version: "3.12"
     - name: Build Constructor
       shell: bash -l {0}
       run: |

constructor/construct.yaml

@@ -7,16 +7,16 @@ channels:
   - https://conda.anaconda.org/pyiron [win]
 
 specs:
-  - python =3.11
+  - python =3.12
   - conda
   - notebook
   - jupyterlab
   - nodejs
   - nglview =3.1.2
   - pyiron =0.5.2
-  - pyiron_atomistics =0.5.0
+  - pyiron_atomistics =0.5.1
   - sphinxdft =3.1 [linux]
-  - lammps =2023.08.02 [linux|osx]
+  - lammps =2024.02.07=*_openmpi_* [linux|osx]
   - lammps =2018.03.16 [win]
 
 post_install: post_build_win.bat [win]

requirements.txt

@@ -1,3 +1,3 @@
 nglview==3.1.2
 pyiron==0.5.2
-pyiron_atomistics==0.5.0
+pyiron_atomistics==0.5.1