pin pandas<2.1 and add cron trigger to CI (#92)

* Update CI.yaml * Update pyproject.toml * Update test_env.yaml * pin pandas<2.1 in requirements.txt * update docs * add python to build tools * fix readthedocs? * try building RTD with mambaforge following https://docs.readthedocs.io/en/stable/config-file/v2.html#conda * Update requirements.yaml --------- Co-authored-by: Oliver Beckstein <[email protected]> Co-authored-by: orioncohen <[email protected]>
MDAnalysis · Sep 19, 2023 · 514472c · 514472c
1 parent 055cbd9
commit 514472c
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diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
@@ -10,6 +10,9 @@ on:
   pull_request:
     branches:
       - "main"
+  schedule:
+    # Midnight Tuesdays and Fridays
+    - cron: "0 0 * * 2,5"
 
 concurrency:
   # Probably overly cautious group naming.
@@ -98,4 +101,4 @@ jobs:
 
     - name: Run tests
       run: |
-        pytest -v --color=yes solvation_analysis/tests/
+        pytest -v --color=yes solvation_analysis/tests/
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -8,11 +8,11 @@ dependencies:
   - MDAnalysis>=2.0.0
   - scipy
   - numpy
-  - pandas
+  - pandas<2.1
   - matplotlib
   - statsmodels
   - pytest
   - pytest-cov
   - codecov
   - rdkit
-  - plotly
+  - plotly
diff --git a/docs/requirements.yaml b/docs/requirements.yaml
@@ -12,6 +12,7 @@ dependencies:
   - nglview
   - nbsphinx
   - ipython
+  - plotly
 
 
     # Pip-only installs

diff --git a/pyproject.toml b/pyproject.toml
@@ -29,7 +29,7 @@ keywords = [
 
 dependencies = [
     'numpy>=1.20.0',
-    'pandas',
+    'pandas<2.1',
     'mdanalysis>=2.0.0',
     'pytest',
     'matplotlib',

diff --git a/readthedocs.yml b/readthedocs.yml
@@ -3,13 +3,9 @@
 version: 2
 
 build:
-  image: latest
-
-python:
-  version: 3.8
-  install:
-    - method: pip
-      path: .
+  os: ubuntu-22.04
+  tools:
+    python: "mambaforge-22.9"
 
 conda:
-  environment: docs/requirements.yaml
+  environment: docs/requirements.yaml
diff --git a/requirements.txt b/requirements.txt
@@ -1,11 +1,11 @@
 setuptools
 numpy>=1.20.0
-pandas
+pandas<2.1
 mdanalysis>=2.0.0
 pytest
 pathlib
 matplotlib
 scipy
 statsmodels
 plotly
-rdkit
+rdkit
-Original file line number
+Diff line change
@@ Expand Up / @@ -12,6 +12,7 @@ dependencies: @@
       - nglview
       - nbsphinx
       - ipython
+      - plotly
         # Pip-only installs
@@ Expand Down @@