update to support JLab 4

Author: cbouy

.github/workflows/ci.yml

@@ -29,11 +29,11 @@ jobs:
             extra_dependencies: "rdkit==2020.03.1 boost-cpp=1.72.0=h359cf19_6"
           - label: CI-edge
             os: ubuntu-latest
-            python-version: "3.10"
+            python-version: 3.11
             extra_dependencies: "rdkit"
-          - label: CI-py3.8-rdkit2022
+          - label: CI-py3.9-rdkit2022
             os: ubuntu-latest
-            python-version: 3.8
+            python-version: 3.9
             extra_dependencies: "rdkit==2022.03.1"
 
     steps:
@@ -60,7 +60,7 @@ jobs:
       - name: Cache conda
         uses: actions/cache@v3
         env:
-          CACHE_NUMBER: 0
+          CACHE_NUMBER: 1
         with:
           path: ~/conda_pkgs_dir
           key:

docs/environment.yml

@@ -3,19 +3,19 @@ channels:
   - conda-forge
   - defaults
 dependencies:
-  - ipykernel==5.4.3
-  - ipywidgets==7.6.3
+  - ipykernel==6.26.0
+  - ipywidgets==7.8.0
   - notebook<7.0.0
   - mistune<3.0.0
-  - jedi==0.17.2
-  - jinja2==3.0.3
+  - jedi==0.19.1
+  - jinja2==3.1.2
   - nbsphinx==0.8.8
-  - nodejs==17.9.0
-  - pandas==1.2.1
-  - rdkit==2022.03.1
+  - nodejs==18.18.2
+  - pandas==2.1.4
+  - rdkit==2023.09.3
   - recommonmark==0.7.1
   - sphinx==4.5.0
-  - yarn==1.22.18
+  - yarn==1.22.19
   - pip:
     - py3dmol==1.7.0
     - sphinx-rtd-theme==1.0.0

mols2grid/_version.py

@@ -1 +1 @@
-__version__ = "2.0.0"
+__version__ = "2.0.1-a1"