Merge pull request #1641 from pyiron/dependabot/pip/scipy-1.15.0

Bump scipy from 1.14.1 to 1.15.0
pyiron · Jan 8, 2025 · 6b1d9db · 6b1d9db
2 parents a2c965d + b7b0bb2
commit 6b1d9db
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Showing 6 changed files with 14 additions and 14 deletions.
diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml
@@ -22,7 +22,7 @@ dependencies:
 - pylammpsmpi =0.2.26
 - pyscal3 =3.2.7
 - scikit-learn =1.6.0
-- scipy =1.14.1
+- scipy =1.15.0
 - seekpath =2.1.0
 - spglib =2.5.0
 - structuretoolkit =0.0.29

diff --git a/.ci_support/environment-old.yml b/.ci_support/environment-old.yml
@@ -3,7 +3,7 @@ channels:
 dependencies:
 - aimsgb =1.0.2
 - ase =3.22.1
-- atomistics =0.1.27
+- atomistics =0.1.33
 - defusedxml =0.7.0
 - h5py =3.9.0
 - matplotlib-base =3.5.3
@@ -20,7 +20,7 @@ dependencies:
 - monty =2024.3.31
 - pyxtal =0.6.1
 - scikit-learn =1.2.1
-- scipy =1.11.1
+- scipy =1.15.0
 - seekpath =1.9.5
 - spglib =2.0.2
-- structuretoolkit =0.0.27
+- structuretoolkit =0.0.29
diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml
@@ -20,7 +20,7 @@ dependencies:
 - pylammpsmpi =0.2.26
 - pyscal3 =3.2.7
 - scikit-learn =1.6.0
-- scipy =1.14.1
+- scipy =1.15.0
 - seekpath =2.1.0
 - spglib =2.5.0
 - structuretoolkit =0.0.29

diff --git a/binder/environment.yml b/binder/environment.yml
@@ -18,7 +18,7 @@ dependencies:
 - pylammpsmpi =0.2.26
 - pyscal3 =3.2.7
 - scikit-learn =1.6.0
-- scipy =1.14.1
+- scipy =1.15.0
 - seekpath =2.1.0
 - spglib =2.5.0
 - structuretoolkit =0.0.29

diff --git a/pyproject.toml b/pyproject.toml
@@ -39,7 +39,7 @@ dependencies = [
     "pyiron_snippets==0.1.4",
     "pylammpsmpi==0.2.26",
     "pyscal3==3.2.7",
-    "scipy==1.14.1",
+    "scipy==1.15.0",
     "scikit-learn==1.6.0",
     "seekpath==2.1.0",
     "spglib==2.5.0",

diff --git a/tests/sphinx/test_base.py b/tests/sphinx/test_base.py
@@ -157,7 +157,7 @@ def test_write_input(self):
             "\t}\n",
             "}\n",
             "structure {\n",
-            "\tcell = [[4.913287924027003, 0.0, 0.0], [0.0, 4.913287924027003, 0.0], [0.0, 0.0, 4.913287924027003]];\n",
+            "\tcell = [[4.913287927360235, 0.0, 0.0], [0.0, 4.913287927360235, 0.0], [0.0, 0.0, 4.913287927360235]];\n",
             "\tspecies {\n",
             '\t\telement = "Fe";\n',
             "\t\tatom {\n",
@@ -167,7 +167,7 @@ def test_write_input(self):
             "\t\t}\n",
             "\t\tatom {\n",
             '\t\t\tlabel = "spin_0.5";\n',
-            "\t\t\tcoords = [2.4566439620135014, 2.4566439620135014, 2.4566439620135014];\n",
+            "\t\t\tcoords = [2.4566439636801176, 2.4566439636801176, 2.4566439636801176];\n",
             "\t\t}\n",
             "\t}\n",
             "\tsymmetry {\n",
@@ -177,7 +177,7 @@ def test_write_input(self):
             "\t}\n",
             "}\n",
             "basis {\n",
-            "\teCut = 24.989539079445393;\n",
+            "\teCut = 24.98953907945182;\n",
             "\tkPoint {\n",
             "\t\tcoords = [0.5, 0.5, 0.5];\n",
             "\t\tweight = 1;\n",
@@ -211,7 +211,7 @@ def test_write_input(self):
             "\tscfDiag {\n",
             "\t\trhoMixing = 1.0;\n",
             "\t\tspinMixing = 1.0;\n",
-            "\t\tdEnergy = 3.674932217565499e-06;\n",
+            "\t\tdEnergy = 3.6749322175664444e-06;\n",
             "\t\tmaxSteps = 100;\n",
             "\t\tpreconditioner {\n",
             "\t\t\ttype = KERKER;\n",
@@ -354,7 +354,7 @@ def test_get_scf_group(self):
             ref_scf = {
                 "rhoMixing": "1.0",
                 "spinMixing": "1.0",
-                "dEnergy": 3.674932217565499e-06,
+                "dEnergy": 3.6749322175664444e-06,
                 "preconditioner": {
                     "type": "KERKER",
                     "scaling": 1.0,
@@ -369,7 +369,7 @@ def test_get_scf_group(self):
             "rhoMixing": "1.0",
             "spinMixing": "1.0",
             "nPulaySteps": "0",
-            "dEnergy": 3.674932217565499e-06,
+            "dEnergy": 3.6749322175664444e-06,
             "maxSteps": "100",
             "preconditioner": {"type": 0},
             "blockCCG": {"maxStepsCCG": 0, "blockSize": 0, "nSloppy": 0},
@@ -590,7 +590,7 @@ def test_write_structure(self):
             "\t}\n",
             "\tatom {\n",
             '\t\tlabel = "spin_0.5";\n',
-            "\t\tcoords = [2.4566439620135014, 2.4566439620135014, 2.4566439620135014];\n",
+            "\t\tcoords = [2.4566439636801176, 2.4566439636801176, 2.4566439636801176];\n",
             "\t}\n",
             "}\n",
             "symmetry {\n",