Fix CI for RDKit and Windows (#134)

RMeli · Jul 31, 2024 · 174c38a · 174c38a
1 parent 29e1fd6
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diff --git a/devtools/conda-envs/spyrmsd-test-obabel-rx.yaml b/devtools/conda-envs/spyrmsd-test-obabel-rx.yaml
diff --git a/devtools/conda-envs/spyrmsd-test-rdkit-nogt.yaml b/devtools/conda-envs/spyrmsd-test-rdkit-nogt.yaml
@@ -18,7 +18,9 @@ dependencies:
   - pebble
 
   # Chemistry
-  - rdkit
+  # TODO: Remove pin when issue is fixed upstream
+  # INFO: See https://github.com/RMeli/spyrmsd/pull/134
+  - rdkit<=2024.03.4
 
   # Testing
   - pytest

diff --git a/devtools/conda-envs/spyrmsd-test-rdkit-rx.yaml b/devtools/conda-envs/spyrmsd-test-rdkit-rx.yaml