Add plotting script and plot (#247)

* add plotting script and plot
* fix pep8

devtools/plot-over-time.py

@@ -0,0 +1,112 @@
+"""
+A script to plot the number of packages registered over time.
+
+You will need the following packages installed:
+- PyGithub
+- numpy
+- pandas
+- seaborn
+- matplotlib
+
+You will need a GitHub token with access to the repository to run this script.
+The token should be stored in the environment variable `GH_TOKEN`.
+"""
+import argparse
+import datetime
+import re
+import os
+
+import numpy as np
+import pandas as pd
+from github import Github
+
+import seaborn as sns
+import matplotlib.dates as mdates
+from matplotlib import pyplot as plt
+
+REPO_NAME = "mdanalysis/MDAKits"
+GITHUB_TOKEN = os.environ["GH_TOKEN"]
+
+parser = argparse.ArgumentParser(description=__doc__)
+parser.add_argument(
+    "--verbose",
+    action="store_true",
+    help="Print the DataFrame of results",
+)
+
+
+def find_prs_with_file(repo_name, github_token):
+    """
+    Find all pull requests that added a `metadata.yaml` file to the repository.
+    """
+    pattern = re.compile(r"metadata\.yaml$")
+
+    g = Github(github_token)
+    repo = g.get_repo(repo_name)
+
+    prs_with_file = []
+
+    # Iterate through all pull requests in the repository
+    for pr in repo.get_pulls(state='closed'):
+        # Check if the PR was merged
+        if pr.merged_at is None:
+            continue
+
+        # Check files changed in the PR
+        # look for addition of a `metadata.yaml` file
+        # so we ignore updates and changes to the metadata
+        files = pr.get_files()
+        for file in files:
+            if file.status == 'added' and re.search(pattern, file.filename):
+                # mostly these attributes are for debugging
+                prs_with_file.append({
+                    'pr_number': pr.number,
+                    'pr_title': pr.title,
+                    'merged_at': pr.merged_at,
+                    'html_url': pr.html_url
+                })
+                break
+
+    return prs_with_file
+
+
+def main(
+    verbose: bool = False,
+):
+    """
+    Main function to plot the number of packages registered over time.
+    """
+    results = find_prs_with_file(REPO_NAME, GITHUB_TOKEN)
+    df = pd.DataFrame(results)
+    df_cumsum = df.sort_values("merged_at")
+    df_cumsum["Number of MDAKits"] = np.arange(len(df)) + 1
+
+    if verbose:
+        print(df_cumsum)
+
+    _, ax = plt.subplots(figsize=(4, 3))
+    ax = sns.lineplot(
+        ax=ax,
+        data=df_cumsum,
+        x="merged_at",
+        y="Number of MDAKits"
+    )
+
+    ax.set_xlim((
+        datetime.date(2023, 1, 1),
+        datetime.date(2024, 11, 30)
+    ))
+    ax.xaxis.set_major_locator(mdates.MonthLocator(bymonth=(1, 7)))
+    ax.xaxis.set_minor_locator(mdates.MonthLocator())
+    ax.xaxis.set_major_formatter(mdates.DateFormatter('%Y-%b'))
+    ax.set_xlabel("Added to registry")
+    ax.set_ylabel("Number of MDAKits")
+    ax.set_title("MDAKits Registry Growth")
+    plt.tight_layout()
+    plt.savefig("mdakits-registry-growth.png", dpi=300)
+    print("Saved plot to mdakits-registry-growth.png")
+
+
+if __name__ == "__main__":
+    args = parser.parse_args()
+    main(verbose=args.verbose)