Added rdkit to the environment yaml files to make sure that ReadTheDo…

…c can build
Liu-group · Feb 16, 2024 · 3e36b76 · 3e36b76
1 parent 5b9f94d
commit 3e36b76
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diff --git a/devtools/conda-envs/doc_env.yaml b/devtools/conda-envs/doc_env.yaml
@@ -18,6 +18,9 @@ dependencies:
     # MDtraj
   - mdtraj
 
+    # rdkit
+  - rdkit
+
     # Documentation
   - sphinx
   - sphinx_rtd_theme

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -24,6 +24,9 @@ dependencies:
     # MDtraj
   - mdtraj
 
+    # rdkit
+  - rdkit
+
     # Documentation
   - sphinx
   - sphinx_rtd_theme

diff --git a/devtools/conda-envs/test_env_WIN.yaml b/devtools/conda-envs/test_env_WIN.yaml
@@ -21,6 +21,9 @@ dependencies:
     # MDtraj
   - mdtraj
 
+    # rdkit
+  - rdkit
+
     # Documentation
   - sphinx
   - sphinx_rtd_theme