Add pandas to nightly wheel installs (#4239)

* Add pandas to nightly wheel installs * Fix hbonds logger
MDAnalysis · Aug 16, 2023 · 212bf03 · 212bf03
1 parent c360b15
commit 212bf03
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Showing 2 changed files with 10 additions and 6 deletions.
diff --git a/.github/workflows/gh-ci-cron.yaml b/.github/workflows/gh-ci-cron.yaml
@@ -56,7 +56,7 @@ jobs:
       # overwrite installs by picking up nightly wheels
     - name: nightly_wheels
       run: |
-        pip install --pre -U -i https://pypi.anaconda.org/scientific-python-nightly-wheels/simple scipy numpy networkx matplotlib
+        pip install --pre -U -i https://pypi.anaconda.org/scientific-python-nightly-wheels/simple scipy numpy networkx matplotlib pandas
 
     - name: list_deps
       run: |

diff --git a/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py b/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py
@@ -250,6 +250,10 @@
 
 from ...due import due, Doi
 
+
+logger = logging.getLogger(__name__)
+
+
 due.cite(Doi("10.1039/C9CP01532A"),
          description="Hydrogen bond analysis implementation",
          path="MDAnalysis.analysis.hydrogenbonds.hbond_analysis",
@@ -838,25 +842,25 @@ def lifetime(self, tau_max=20, window_step=1, intermittency=0):
         """
 
         if self.results.hbonds is None:
-            logging.error(
+            logger.error(
                 "Autocorrelation analysis of hydrogen bonds cannot be done"
                 "before the hydrogen bonds are found"
             )
-            logging.error(
+            logger.error(
                 "Autocorrelation: Please use the .run() before calling this"
                 "function"
             )
             raise NoDataError(".hbonds attribute is None: use .run() first")
 
         if self.step != 1:
-            logging.warning(
+            logger.warning(
                 "Autocorrelation: Hydrogen bonds were computed with step > 1."
             )
-            logging.warning(
+            logger.warning(
                 "Autocorrelation: We recommend recomputing hydrogen bonds with"
                 " step = 1."
             )
-            logging.warning(
+            logger.warning(
                 "Autocorrelation: if you would like to allow bonds to break"
                 " and reform, please use 'intermittency'"
             )