add requests to pypi deps. reenable cdpkit

Acellera · Dec 16, 2024 · 1a08e98 · 1a08e98
1 parent ef6a56e
commit 1a08e98
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Showing 2 changed files with 13 additions and 6 deletions.
diff --git a/.github/workflows/test_and_publish.yml b/.github/workflows/test_and_publish.yml
@@ -41,11 +41,11 @@ jobs:
           # scikit-learn, joblib, biopython are only used for rarely-used functions in smallmol
           conda install -y -q scikit-learn joblib biopython -c conda-forge
 
-      # - name: Install cdpkit
-      #   if: ${{ matrix.os == 'ubuntu-latest' }}
-      #   run: |
-      #     # for testing CDPKit SmallMol
-      #     pip install cdpkit
+      - name: Install cdpkit
+        # if: ${{ matrix.os == 'ubuntu-latest' }}
+        run: |
+          # for testing CDPKit SmallMol
+          pip install CDPKit==1.2.0.dev3
 
       - name: Install moleculekit
         run: |

diff --git a/pyproject.toml b/pyproject.toml
@@ -9,7 +9,14 @@ classifiers = [
   "Programming Language :: Python :: 3",
   "Operating System :: POSIX :: Linux",
 ]
-dependencies = ["numpy>=1.23.5", "pandas>=1.1.2", "networkx", "tqdm", "msgpack"]
+dependencies = [
+  "numpy>=1.23.5",
+  "pandas>=1.1.2",
+  "networkx",
+  "tqdm",
+  "msgpack",
+  "requests",
+]
 
 [project.urls]
 "Homepage" = "https://github.com/Acellera/moleculekit"