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[Code scan] Fix stale repository and PyPI metadata links #146

Description

@njzjz

This issue was found by a Codex global scan of the repository at commit 19f9265.

Several user-facing metadata locations disagree about the canonical project location or still point at template URLs.

README source clone instructions point to the GitLab RutgersLBSR URL:

deepmd-gnn/README.md

Lines 66 to 70 in 19f9265

First, clone this repository:
```sh
git clone https://gitlab.com/RutgersLBSR/deepmd-gnn
cd deepmd-gnn

Package metadata also advertises the GitLab URL:

[project.urls]
repository = "https://gitlab.com/RutgersLBSR/deepmd-gnn"

Docs config advertises both GitHub and GitLab:

deepmd-gnn/docs/conf.py

Lines 67 to 69 in 19f9265

html_theme_options = {
"github_url": "https://github.com/deepmodeling/deepmd-gnn",
"gitlab_url": "https://gitlab.com/RutgersLBSR/deepmd-gnn",

The release environment URL still points to python-template rather than deepmd-gnn:

pypi-publish:
name: Release to pypi
runs-on: ubuntu-latest
environment:
name: pypi_publish
url: https://pypi.org/p/python-template

The local repository remote for this scan is github.com:deepmodeling/deepmd-gnn.git, and issues are managed in the DeepModeling GitHub project. Mismatched links can send users to the wrong clone/reporting target or show the wrong package during release approval.

Suggested fix: choose the canonical URL and align README, package metadata, docs theme links, mirror workflow comments, and the PyPI environment URL. If GitLab is an intentional mirror, label it as a mirror instead of the primary repository.

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