Merge pull request #204 from WMD-group/combine-prs-branch

Combined PR

.github/workflows/ci.yml

@@ -26,7 +26,7 @@ jobs:
     steps:
     - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v4
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies

.github/workflows/publish-to-pypi.yml

@@ -12,7 +12,7 @@ jobs:
     steps:
       - uses: actions/checkout@master
       - name: Create SMACT release
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: "3.x"
       - name: Install pypa/build

docs/requirements.in

@@ -1,4 +1,4 @@
 # Defining the exact version will make sure things don't break
 sphinx==5.3.0
 sphinx_rtd_theme==1.1.1
-readthedocs-sphinx-search==0.1.1
+readthedocs-sphinx-search==0.3.1

docs/requirements.txt

@@ -20,6 +20,8 @@ idna==3.4
     # via requests
 imagesize==1.4.1
     # via sphinx
+importlib-metadata==7.0.1
+    # via sphinx
 jinja2==3.1.2
     # via sphinx
 markupsafe==2.1.3
@@ -28,18 +30,20 @@ packaging==23.1
     # via sphinx
 pygments==2.16.1
     # via sphinx
-readthedocs-sphinx-search==0.1.1
-    # via -r requirements.in
+pytz==2023.3.post1
+    # via babel
+readthedocs-sphinx-search==0.3.1
+    # via -r docs/requirements.in
 requests==2.31.0
     # via sphinx
 snowballstemmer==2.2.0
     # via sphinx
 sphinx==5.3.0
     # via
-    #   -r requirements.in
+    #   -r docs/requirements.in
     #   sphinx-rtd-theme
 sphinx-rtd-theme==1.1.1
-    # via -r requirements.in
+    # via -r docs/requirements.in
 sphinxcontrib-applehelp==1.0.4
     # via sphinx
 sphinxcontrib-devhelp==1.0.2
@@ -54,3 +58,5 @@ sphinxcontrib-serializinghtml==1.1.5
     # via sphinx
 urllib3==2.0.7
     # via requests
+zipp==3.17.0
+    # via importlib-metadata

requirements-dev.txt

@@ -1,7 +1,7 @@
 pre-commit ==3.3.3
-black ==23.3.0
+black ==23.12.1
 isort ==5.12.0
-pytest ==7.4.0
+pytest ==7.4.4
 nbqa ==1.7.0
 pyupgrade ==3.8.0
 pytest-cov ==4.1.0

requirements.txt

@@ -18,7 +18,7 @@ dill==0.3.7
     # via
     #   multiprocess
     #   pathos
-fonttools==4.46.0
+fonttools==4.47.0
     # via matplotlib
 future==0.18.3
     # via uncertainties
@@ -114,7 +114,7 @@ tenacity==8.2.3
     # via plotly
 tqdm==4.66.1
     # via pymatgen
-tzdata==2023.3
+tzdata==2023.4
     # via pandas
 uncertainties==3.1.7
     # via pymatgen