Merge pull request #345 from WMD-group/combine-prs-branch

Combined PR

.github/workflows/ci.yml

@@ -43,7 +43,7 @@ jobs:
           MP_API_KEY: ${{ secrets.MP_API_KEY }}
         run: python -m pytest --cov=smact --cov-report=xml -v
       - name: Upload coverage reports to CodeCov
-        uses: codecov/codecov-action@v4
+        uses: codecov/codecov-action@v5
         with:
           token: ${{ secrets.CODECOV_TOKEN }}
           #files: ./coverage.xml

docs/requirements.in

@@ -1,6 +1,6 @@
 # Defining the exact version will make sure things don't break
 sphinx==5.3.0
-sphinx_rtd_theme==2.0.0
+sphinx_rtd_theme==3.0.2
 readthedocs-sphinx-search==0.3.2
 sphinx-book-theme==1.1.3
-myst-nb==1.1.1
+myst-nb==1.1.2

pyproject.toml

@@ -39,7 +39,7 @@ keywords = [
 ]
 dependencies = [
     "ase",
-    "numpy<2",
+    "numpy<3",
     "pandas",
     "pathos",
     "pymatgen>=2024.2.20",
@@ -68,10 +68,10 @@ dev = [
 ]
 docs = [
     "sphinx==5.3.0",
-    "sphinx_rtd_theme==2.0.0",
+    "sphinx_rtd_theme==3.0.2",
     "readthedocs-sphinx-search==0.3.2",
     "sphinx-book-theme==1.1.3",
-    "myst-nb==1.1.1"
+    "myst-nb==1.1.2"
 ]
 mp = ["mp-api"]
 

requirements-dev.txt

@@ -1,5 +1,5 @@
 pre-commit ==3.3.3
-pytest ==8.3.2
+pytest ==8.3.4
 pytest-cov ==5.0.0
 ruff
 pyright