Merge pull request #1430 from pyiron/dependabot/pip/scipy-1.13.1

Bump scipy from 1.13.0 to 1.13.1

.ci_support/environment-docs.yml

@@ -7,21 +7,21 @@ dependencies:
 - myst-parser
 - aimsgb =1.1.0
 - ase =3.22.1
-- atomistics =0.1.27
+- atomistics =0.1.28
 - defusedxml =0.7.1
 - h5py =3.11.0
 - matplotlib-base =3.8.4
 - mendeleev =0.16.2
 - mp-api =0.41.2
 - numpy =1.26.4
 - pandas =2.2.2
-- phonopy =2.22.1
+- phonopy =2.23.1
 - pint =0.23
 - pyiron_base =0.8.4
 - pylammpsmpi =0.2.18
 - pyscal =2.10.18
 - scikit-learn =1.5.0
-- scipy =1.13.0
+- scipy =1.13.1
 - seekpath =2.1.0
 - spglib =2.4.0
 - structuretoolkit =0.0.23

.ci_support/environment-old.yml

@@ -13,9 +13,10 @@ dependencies:
 - pandas =2.0.3
 - phonopy =2.20.0
 - pint =0.18
-- pyiron_base =0.7.7
-- pylammpsmpi =0.2.7
-- pyscal =2.10.4
+- pyiron_base =0.8.1
+- pylammpsmpi =0.2.12
+- pyscal =2.10.15
+- monty =2024.3.31
 - pyxtal =0.6.1
 - scikit-learn =1.2.1
 - scipy =1.11.1

.ci_support/environment.yml

@@ -3,7 +3,7 @@ channels:
 dependencies:
 - aimsgb =1.1.0
 - ase =3.22.1
-- atomistics =0.1.27
+- atomistics =0.1.28
 - coverage
 - codacy-coverage
 - defusedxml =0.7.1
@@ -13,13 +13,13 @@ dependencies:
 - mp-api =0.41.2
 - numpy =1.26.4
 - pandas =2.2.2
-- phonopy =2.22.1
+- phonopy =2.23.1
 - pint =0.23
 - pyiron_base =0.8.4
 - pylammpsmpi =0.2.18
 - pyscal =2.10.18
 - scikit-learn =1.5.0
-- scipy =1.13.0
+- scipy =1.13.1
 - seekpath =2.1.0
 - spglib =2.4.0
 - structuretoolkit =0.0.23

.github/workflows/unittests_old.yml

@@ -14,7 +14,7 @@ jobs:
     - name: Setup Mambaforge
       uses: conda-incubator/setup-miniconda@v2
       with:
-        python-version: '3.9'
+        python-version: '3.10'
         miniforge-variant: Mambaforge
         channels: conda-forge
         channel-priority: strict
@@ -28,4 +28,4 @@ jobs:
         python .ci_support/pyironconfig.py
         pip install versioneer[toml]==0.29
         pip install . --no-deps --no-build-isolation
-        python -m unittest discover tests
+        python -m unittest discover tests

binder/environment.yml

@@ -3,21 +3,21 @@ channels:
 dependencies:
 - aimsgb =1.1.0
 - ase =3.22.1
-- atomistics =0.1.27
+- atomistics =0.1.28
 - defusedxml =0.7.1
 - h5py =3.11.0
 - matplotlib-base =3.8.4
 - mendeleev =0.16.2
 - mp-api =0.41.2
 - numpy =1.26.4
 - pandas =2.2.2
-- phonopy =2.22.1
+- phonopy =2.23.1
 - pint =0.23
 - pyiron_base =0.8.4
 - pylammpsmpi =0.2.18
 - pyscal =2.10.18
 - scikit-learn =1.5.0
-- scipy =1.13.0
+- scipy =1.13.1
 - seekpath =2.1.0
 - spglib =2.4.0
 - structuretoolkit =0.0.23

pyproject.toml

@@ -25,19 +25,19 @@ classifiers = [
 ]
 dependencies = [
     "ase==3.22.1",
-    "atomistics==0.1.27",
+    "atomistics==0.1.28",
     "defusedxml==0.7.1",
     "h5py==3.11.0",
     "matplotlib==3.8.4",
     "mendeleev==0.16.2",
     "mp-api==0.41.2",
     "numpy==1.26.4",
     "pandas==2.2.2",
-    "phonopy==2.22.1",
+    "phonopy==2.23.1",
     "pint==0.23",
     "pyiron_base==0.8.4",
     "pylammpsmpi==0.2.18",
-    "scipy==1.13.0",
+    "scipy==1.13.1",
     "scikit-learn==1.5.0",
     "seekpath==2.1.0",
     "spglib==2.4.0",