fix: Pin Numpy to fix fastpdb/biotite dependency issue (#177)

Author: jstlaurent

env.yml

@@ -22,8 +22,8 @@ dependencies:
   - filelock
 
   # Scientific
-  - numpy
-  - pandas < 2.2.0
+  - numpy < 2  # We need to pin numpy to avoid issues with fastpdb/biotite.
+  - pandas
   - scipy
   - scikit-learn
   - seaborn
@@ -58,4 +58,4 @@ dependencies:
   - mike >=1.0.0
 
   - pip:
-    - fastpdb
+    - fastpdb

pyproject.toml

@@ -44,8 +44,8 @@ dependencies = [
     "httpx",
     "tenacity",
     "filelock",
-    "numpy < 3.0.0",
-    "pandas < 2.2.0",
+    "numpy < 2", # We need to pin numpy to avoid issues with fastpdb/biotite.
+    "pandas",
     "scipy",
     "scikit-learn",
     "seaborn",
@@ -116,7 +116,7 @@ data_file = ".coverage/coverage"
 omit = [
     "polaris/__init__.py",
     "polaris/_version.py",
-    # We cannot yet test the interaction with the Hub. 
+    # We cannot yet test the interaction with the Hub.
     # See e.g. https://github.com/polaris-hub/polaris/issues/30
     "polaris/hub/client.py",
     "polaris/hub/external_auth_client.py",