Rename codebase (#60)

Author: ElliottKasoar

.github/ISSUE_TEMPLATE/5_question.yml

@@ -1,5 +1,5 @@
 name: Question
-description: Ask a question about mlip-testing
+description: Ask a question about ML-PEG
 labels: ["question"]
 body:
   - type: markdown

.github/ISSUE_TEMPLATE/config.yml

@@ -1,5 +1,5 @@
 blank_issues_enabled: true
 contact_links:
   - name: Documentation
-    url: https://ddmms.github.io/mlip-testing/
+    url: https://ddmms.github.io/ml-peg/
     about: Please consult the documentation before creating an issue.

.github/PULL_REQUEST_TEMPLATE/custom.md

@@ -10,7 +10,7 @@ Thank you for contributing! To help us out with reviewing, please consider the f
 
 PR author **must** check the checkboxes below when creating the PR.
 
-- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
+- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/ml-peg/blob/main/contributing.md).
 
 ## Summary
 

.github/PULL_REQUEST_TEMPLATE/new_benchmark.md

@@ -10,7 +10,7 @@ Thank you for contributing! To help us out with reviewing, please consider the f
 
 PR author **must** check the checkboxes below when creating the PR.
 
-- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
+- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/ml-peg/blob/main/contributing.md).
 
 ## Summary
 

.github/PULL_REQUEST_TEMPLATE/new_model.md

@@ -10,7 +10,7 @@ Thank you for contributing! To help us out with reviewing, please consider the f
 
 PR author **must** check the checkboxes below when creating the PR.
 
-- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md).
+- [ ] I've confirmed the [contribution guidelines](https://github.com/ddmms/ml-peg/blob/main/contributing.md).
 
 ## Summary
 

.github/workflows/ci.yml

@@ -26,15 +26,15 @@ jobs:
         env:
           # show timings of tests
           PYTEST_ADDOPTS: "--durations=0"
-        run: uv run pytest --cov mlip_testing --cov-append .
+        run: uv run pytest --cov ml_peg --cov-append .
 
       - name: Report coverage to Coveralls
         uses: coverallsapp/github-action@v2
         with:
           parallel: true
           flag-name: run-${{ matrix.python-version }}
           file: coverage.xml
-          base-path: mlip_testing
+          base-path: ml_peg
 
   coverage:
     needs: tests

.github/workflows/docs.yml

@@ -16,7 +16,7 @@ concurrency:
 
 jobs:
   docs-deploy:
-    if: github.ref == 'refs/heads/main' && github.repository == 'ddmms/mlip-testing'
+    if: github.ref == 'refs/heads/main' && github.repository == 'ddmms/ml-peg'
     environment:
       name: github-pages
       url: ${{ steps.deployment.outputs.page_url }}

.pre-commit-config.yaml

@@ -23,4 +23,4 @@ repos:
   rev: v1.8.0
   hooks:
     - id: numpydoc-validation
-      files: ^mlip_testing/
+      files: ^ml_peg/

CITATION.cff

@@ -1,5 +1,5 @@
 cff-version: 1.2.0
-title: "mlip-testing"
+title: "ml-peg"
 message: "If you use this software, please cite it as below."
 type: software
 authors:
@@ -11,6 +11,6 @@ authors:
 identifiers:
   - type: doi
     value: 10.5281/zenodo.16904444
-repository-code: 'https://github.com/ddmms/mlip-testing'
-abstract: Testing framework for machine learnt interatomic potentials
+repository-code: 'https://github.com/ddmms/ml-peg'
+abstract: "ML potential usability and performance guide"
 license: BSD-3-Clause

README.md

@@ -1,4 +1,4 @@
-# mlip-testing
+# ml-peg
 
 [![Build Status][ci-badge]][ci-link]
 [![Coverage Status][cov-badge]][cov-link]
@@ -33,16 +33,16 @@ All required and optional dependencies can be found in [pyproject.toml](pyprojec
 
 ### Installation
 
-The latest stable release of `mlip-testing`, including its dependencies, will be installable from PyPI by running:
+The latest stable release of `ml-peg`, including its dependencies, will be installable from PyPI by running:
 
 ```
-python3 -m pip install mlip-testing
+python3 -m pip install ml-peg
 ```
 
-To get all the latest changes, `mlip-testing` can be installed from GitHub:
+To get all the latest changes, `ml-peg` can be installed from GitHub:
 
 ```
-python3 -m pip install git+https://github.com/ddmms/mlip-testing.git
+python3 -m pip install git+https://github.com/ddmms/ml-peg.git
 ```
 
 ## Features
@@ -53,38 +53,38 @@ Coming soon!
 ## Development
 
 Please ensure you have consulted our
-[contribution guidelines](https://github.com/ddmms/mlip-testing/blob/main/contributing.md)
+[contribution guidelines](https://github.com/ddmms/ml-peg/blob/main/contributing.md)
 and
-[coding style](https://github.com/ddmms/mlip-testing/blob/main/coding_style.md)
+[coding style](https://github.com/ddmms/ml-peg/blob/main/coding_style.md)
 before proceeding.
 
-We recommend installing `uv` for dependency management when developing for `mlip-testing`:
+We recommend installing `uv` for dependency management when developing for `ml-peg`:
 
 1. Install [uv](https://docs.astral.sh/uv/getting-started/installation)
-2. Install `mlip-testing` with dependencies in a virtual environment:
+2. Install `ml-peg` with dependencies in a virtual environment:
 
 ```shell
-git clone https://github.com/ddmms/mlip-testing
-cd mlip-testing
+git clone https://github.com/ddmms/ml-peg
+cd ml-peg
 uv sync # Create a virtual environment and install dependencies
 source .venv/bin/activate
 pre-commit install  # Install pre-commit hooks
 pytest -v  # Discover and run all tests
 ```
 
-Please refer to the [online documentation](https://ddmms.github.io/mlip-testing/developer_guide/index.html)
+Please refer to the [online documentation](https://ddmms.github.io/ml-peg/developer_guide/index.html)
 for information about contributing new benchmarks and models.
 
 ## License
 
 [GNU General Public License version 3](LICENSE)
 
-[ci-badge]: https://github.com/ddmms/mlip-testing/actions/workflows/ci.yml/badge.svg?branch=main
-[ci-link]: https://github.com/ddmms/mlip-testing/actions
-[cov-badge]: https://coveralls.io/repos/github/ddmms/mlip-testing/badge.svg?branch=main
-[cov-link]: https://coveralls.io/github/ddmms/mlip-testing?branch=main
-[docs-badge]: https://github.com/ddmms/mlip-testing/actions/workflows/docs.yml/badge.svg
-[docs-link]: https://ddmms.github.io/mlip-testing/
+[ci-badge]: https://github.com/ddmms/ml-peg/actions/workflows/ci.yml/badge.svg?branch=main
+[ci-link]: https://github.com/ddmms/ml-peg/actions
+[cov-badge]: https://coveralls.io/repos/github/ddmms/ml-peg/badge.svg?branch=main
+[cov-link]: https://coveralls.io/github/ddmms/ml-peg?branch=main
+[docs-badge]: https://github.com/ddmms/ml-peg/actions/workflows/docs.yml/badge.svg
+[docs-link]: https://ddmms.github.io/ml-peg/
 [license-badge]: https://img.shields.io/badge/License-GPLv3-blue.svg
 [license-link]: https://opensource.org/license/gpl-3-0
 [doi-link]: https://doi.org/10.5281/zenodo.16904445