removing rdkit pinning

datamol-io · Nov 14, 2024 · c0b3805 · c0b3805
1 parent da58ea8
commit c0b3805
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Showing 5 changed files with 5 additions and 5 deletions.
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -58,7 +58,7 @@ jobs:
       # To prevent issues where Windows will re-use old/cached versions of RDKit
       - name: Update rdkit version
         run: |
-          micromamba install --force-reinstall rdkit=2024.03.4
+          micromamba install --force-reinstall rdkit
         if: matrix.os == 'windows-latest'
 
       - name: Install library

diff --git a/pyproject.toml b/pyproject.toml
@@ -68,7 +68,7 @@ dependencies = [
     # chemistry
     "datamol >=0.10",
     "hydra-core",
-    "rdkit==2024.03.4"
+    "rdkit"
 ]
 
 [project.optional-dependencies]

diff --git a/requirements/linux_env.yml b/requirements/linux_env.yml
@@ -44,7 +44,7 @@ dependencies:
   - pytorch_scatter >=2.0
 
   # chemistry
-  - rdkit <=2024.03.4
+  - rdkit 
   - datamol >=0.10
   - boost # needed by rdkit
 

diff --git a/requirements/osx_env.yml b/requirements/osx_env.yml
@@ -42,7 +42,7 @@ dependencies:
   - pytorch_scatter >=2.0
 
   # chemistry
-  - rdkit <=2024.03.4
+  - rdkit
   - datamol >=0.10
   - boost # needed by rdkit
 

diff --git a/requirements/windows_env.yml b/requirements/windows_env.yml
@@ -45,7 +45,7 @@ dependencies:
   - pytorch-scatter >=2.0
 
   # chemistry
-  - rdkit <=2024.03.4
+  - rdkit 
   - datamol >=0.10
   - boost # needed by rdkit