From bcce773470278914dfbe1652545ea167057777ed Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Se=C3=A1n=20Kavanagh?=
 <51478689+kavanase@users.noreply.github.com>
Date: Fri, 12 Apr 2024 15:56:21 -0400
Subject: [PATCH 1/4] Update .readthedocs.yaml

---
 .readthedocs.yaml | 9 +++++++--
 1 file changed, 7 insertions(+), 2 deletions(-)

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 661d3d3b..70205bbd 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -1,10 +1,15 @@
 # .readthedocs.yaml
 # Read the Docs configuration file
-# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details
+# See https://docs.readthedocs.io/en/stable/config-file for details
 
 # Required
 version: 2
 
+build:
+  os: ubuntu-22.04
+  tools:
+    python: "3.9"
+
 # Build documentation in the docs/ directory with Sphinx
 sphinx:
    configuration: docs/conf.py
@@ -12,4 +17,4 @@ sphinx:
 # Optionally declare the Python requirements required to build your docs
 python:
    install:
-   - requirements: docs/requirements.txt
\ No newline at end of file
+   - requirements: docs/requirements.txt

From 1602704f72e7cd42d2397f69a7e93264122d084b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Se=C3=A1n=20Kavanagh?=
 <51478689+kavanase@users.noreply.github.com>
Date: Fri, 12 Apr 2024 16:19:57 -0400
Subject: [PATCH 2/4] Bump `flake8` to avoid linting failure

---
 .github/workflows/lint.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/lint.yaml b/.github/workflows/lint.yaml
index 070f2557..5f7c96cd 100644
--- a/.github/workflows/lint.yaml
+++ b/.github/workflows/lint.yaml
@@ -29,7 +29,7 @@ jobs:
           python-version: '3.x'
       - name: Install flake8
         run: |
-          pip install flake8==4.0.1
+          pip install flake8==7.0.0
       - name: run flake8
         run: |
           flake8 . --count --show-source --statistics

From a21178b38e6d5f1e46710808c83f2e5c695d1c01 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Se=C3=A1n=20Kavanagh?=
 <51478689+kavanase@users.noreply.github.com>
Date: Fri, 12 Apr 2024 16:25:39 -0400
Subject: [PATCH 3/4] Fix typo and reformat code to satisfy now-caught `flake8`
 linting

---
 nequip/data/_dataset/_base_datasets.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/nequip/data/_dataset/_base_datasets.py b/nequip/data/_dataset/_base_datasets.py
index d49b91d2..bda86734 100644
--- a/nequip/data/_dataset/_base_datasets.py
+++ b/nequip/data/_dataset/_base_datasets.py
@@ -220,11 +220,12 @@ def process(self):
             # Check bad key combinations, but don't require that this be a graph yet.
             AtomicDataDict.validate_keys(all_keys, graph_required=False)
 
-            # check dimesionality
+            # check dimensionality
             num_examples = set([len(a) for a in fields.values()])
             if not len(num_examples) == 1:
+                shape_dict = {f: v.shape for f, v in fields.items()}
                 raise ValueError(
-                    f"This dataset is invalid: expected all fields to have same length (same number of examples), but they had shapes { {f: v.shape for f, v in fields.items() } }"
+                    f"This dataset is invalid: expected all fields to have same length (same number of examples), but they had shapes {shape_dict}"
                 )
             num_examples = next(iter(num_examples))
 

From 6589893da68d7be0d25b18994e17f35ebc20cb4f Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Se=C3=A1n=20Kavanagh?=
 <51478689+kavanase@users.noreply.github.com>
Date: Fri, 19 Apr 2024 13:52:07 -0400
Subject: [PATCH 4/4] Update requirements.txt

---
 docs/requirements.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/docs/requirements.txt b/docs/requirements.txt
index 8085d79c..a36b74ed 100644
--- a/docs/requirements.txt
+++ b/docs/requirements.txt
@@ -1 +1,2 @@
-myst-parser
\ No newline at end of file
+myst-parser
+sphinx_rtd_theme