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lilyminium committed Jan 30, 2024
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4 changes: 2 additions & 2 deletions .github/workflows/deploy.yaml
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Expand Up @@ -16,7 +16,7 @@ jobs:
permissions:
id-token: write
if: |
github.repository == 'MDAnalysis/hole2-mdakit' &&
github.repository == 'MDAnalysis/mdahole2' &&
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
name: Build, upload and test pure Python wheels to TestPyPi
runs-on: ubuntu-latest
Expand All @@ -38,7 +38,7 @@ jobs:
permissions:
id-token: write
if: |
github.repository == 'MDAnalysis/hole2-mdakit' &&
github.repository == 'MDAnalysis/mdahole2' &&
(github.event_name == 'release' && github.event.action == 'published')
name: Build, upload and test pure Python wheels to PyPi
runs-on: ubuntu-latest
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2 changes: 1 addition & 1 deletion .github/workflows/docs.yaml
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Expand Up @@ -17,7 +17,7 @@ defaults:

jobs:
docs:
if: "github.repository == 'MDAnalysis/hole2-mdakit'"
if: "github.repository == 'MDAnalysis/mdahole2'"
runs-on: ubuntu-latest

steps:
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6 changes: 3 additions & 3 deletions .github/workflows/gh-ci.yaml
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Expand Up @@ -36,7 +36,7 @@ jobs:
last-n-minor-release: 1

main-tests:
if: "github.repository == 'MDAnalysis/hole2-mdakit'"
if: "github.repository == 'MDAnalysis/mdahole2'"
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
Expand Down Expand Up @@ -113,7 +113,7 @@ jobs:


pylint_check:
if: "github.repository == 'MDAnalysis/hole2-mdakit'"
if: "github.repository == 'MDAnalysis/mdahole2'"
needs: environment-config
runs-on: ubuntu-latest

Expand All @@ -139,7 +139,7 @@ jobs:
pypi_check:
if: "github.repository == 'MDAnalysis/hole2-mdakit'"
if: "github.repository == 'MDAnalysis/mdahole2'"
needs: environment-config
runs-on: ubuntu-latest

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2 changes: 1 addition & 1 deletion AUTHORS.md
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Expand Up @@ -4,7 +4,7 @@ mdahole2 was created by Ian Kenney in 2022.


All contributing authors are listed in this file below.
The repository history at https://github.com/MDAnalysis/hole2-mdakit
The repository history at https://github.com/MDAnalysis/mdahole2
and the CHANGELOG show individual code contributions.

## Chronological list of authors
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8 changes: 4 additions & 4 deletions CHANGELOG.md
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Expand Up @@ -69,14 +69,14 @@ in the AUTHORS.md file.
- IAlibay

### Added
- the core functionality of hole2-mdakit (and its tests) was implemented
- the core functionality of mdahole2 (and its tests) was implemented
using the source code from MDAnalysis.analysis.hole2 (PR #1)
- GitHub actions CI workflow (PR #2 #3 #7)
- added historical authors from original source to AUTHORS.md (PR #4)
- documentation deployed to github pages (PR #11)

## Changed

[Unreleased]: https://github.com/MDAnalysis/hole2-mdakit/compare/0.3.0...HEAD
[0.3.0]: https://github.com/MDAnalysis/hole2-mdakit/compare/0.2.0...0.3.0
[0.2.0]: https://github.com/MDAnalysis/hole2-mdakit/releases/tag/0.2.0
[Unreleased]: https://github.com/MDAnalysis/mdahole2/compare/0.3.0...HEAD
[0.3.0]: https://github.com/MDAnalysis/mdahole2/compare/0.2.0...0.3.0
[0.2.0]: https://github.com/MDAnalysis/mdahole2/releases/tag/0.2.0
4 changes: 2 additions & 2 deletions CONTRIBUTING.md
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Expand Up @@ -5,13 +5,13 @@ We welcome all contributions to mdahole2!
Contributions can take many forms, such as:

* sharing bug reports or feature requests through the [Issue Tracker](https://github.com/MDAnalysis/
hole2-mdakit/issues)
mdahole2/issues)
* asking or answering questions, or otherwise joining in on discussions
* adding bug fixes, new features, or otherwise improving the code
* adding or improving documentation

The second two options both involve making a [pull request](https://github.com/MDAnalysis/
hole2-mdakit/pulls) .
mdahole2/pulls) .

There are many existing guides on how to make a contribution to an open
source project on GitHub. In short, the steps are to:
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10 changes: 5 additions & 5 deletions README.md
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Expand Up @@ -2,14 +2,14 @@ mdahole2
==============================
[//]: # (Badges)

| **Latest release** | [![Last release tag](https://img.shields.io/github/release-pre/MDAnalysis/hole2-mdakit.svg)](https://github.com/MDAnalysis/hole2-mdakit/releases) ![GitHub commits since latest release (by date) for a branch](https://img.shields.io/github/commits-since/MDAnalysis/hole2-mdakit/latest) [![Documentation status](https://github.com/MDAnalysis/hole2-mdakit/actions/workflows/docs.yaml/badge.svg?branch=main)](https://github.com/MDAnalysis/hole2-mdakit/actions/workflows/docs.yaml)|
| **Latest release** | [![Last release tag](https://img.shields.io/github/release-pre/MDAnalysis/mdahole2.svg)](https://github.com/MDAnalysis/mdahole2/releases) ![GitHub commits since latest release (by date) for a branch](https://img.shields.io/github/commits-since/MDAnalysis/mdahole2/latest) [![Documentation status](https://github.com/MDAnalysis/mdahole2/actions/workflows/docs.yaml/badge.svg?branch=main)](https://github.com/MDAnalysis/mdahole2/actions/workflows/docs.yaml)|
| :------ | :------- |
| **Status** | [![GH Actions Status](https://github.com/MDAnalysis/hole2-mdakit/actions/workflows/gh-ci.yaml/badge.svg)](https://github.com/MDAnalysis/hole2-mdakit/actions?query=branch%3Amain+workflow%3Agh-ci) [![codecov](https://codecov.io/gh/MDAnalysis/hole2-mdakit/branch/main/graph/badge.svg)](https://codecov.io/gh/MDAnalysis/hole2-mdakit/branch/main)|
| **Status** | [![GH Actions Status](https://github.com/MDAnalysis/mdahole2/actions/workflows/gh-ci.yaml/badge.svg)](https://github.com/MDAnalysis/mdahole2/actions?query=branch%3Amain+workflow%3Agh-ci) [![codecov](https://codecov.io/gh/MDAnalysis/mdahole2/branch/main/graph/badge.svg)](https://codecov.io/gh/MDAnalysis/mdahole2/branch/main)|
| **Community** | [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) [![Powered by MDAnalysis](https://img.shields.io/badge/powered%20by-MDAnalysis-orange.svg?logoWidth=16&logo=data:image/x-icon;base64,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)](https://www.mdanalysis.org)|

A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway as a function of time or arbitrary order parameters.

mdahole2 is bound by a [Code of Conduct](https://github.com/MDAnalysis/hole2-mdakit/blob/main/CODE_OF_CONDUCT.md).
mdahole2 is bound by a [Code of Conduct](https://github.com/MDAnalysis/mdahole2/blob/main/CODE_OF_CONDUCT.md).

### Installation

Expand Down Expand Up @@ -74,8 +74,8 @@ pip install -e ".[test,doc]"

### Copyright

The mdahole2 source code is hosted at https://github.com/MDAnalysis/hole2-mdakit
and is available under the GNU General Public License, version 3 (see the file [LICENSE](https://github.com/MDAnalysis/hole2-mdakit/blob/main/LICENSE)).
The mdahole2 source code is hosted at https://github.com/MDAnalysis/mdahole2
and is available under the GNU General Public License, version 3 (see the file [LICENSE](https://github.com/MDAnalysis/mdahole2/blob/main/LICENSE)).

Copyright (c) 2022, The MDAnalysis Development Team and all contributors
listed in the file AUTHORS
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8 changes: 4 additions & 4 deletions docs/source/getting_started.rst
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Expand Up @@ -9,7 +9,7 @@ Documentation

Documentation is hosted on `GitHub Pages`_.

.. _`GitHub Pages`: https://www.mdanalysis.org/hole2-mdakit/
.. _`GitHub Pages`: https://www.mdanalysis.org/mdahole2/

Download source code
~~~~~~~~~~~~~~~~~~~~
Expand All @@ -18,15 +18,15 @@ The ``mdahole2`` source code is hosted on GitHub_ and can be downloaded with

.. code:: bash
git clone [email protected]:MDAnalysis/hole2-mdakit.git
git clone [email protected]:MDAnalysis/mdahole2.git
with an SSH key, or with

.. code:: bash
git clone https://github.com/MDAnalysis/hole2-mdakit.git
git clone https://github.com/MDAnalysis/mdahole2.git
.. _GitHub: https://github.com/MDAnalysis/hole2-mdakit
.. _GitHub: https://github.com/MDAnalysis/mdahole2

Build and installation
~~~~~~~~~~~~~~~~~~~~~~
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4 changes: 2 additions & 2 deletions pyproject.toml
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Expand Up @@ -56,8 +56,8 @@ doc = [
]

[project.urls]
source = "https://github.com/MDAnalysis/hole2-mdakit"
documentation = "https://www.mdanalysis.org/hole2-mdakit/"
source = "https://github.com/MDAnalysis/mdahole2"
documentation = "https://www.mdanalysis.org/mdahole2/"

[tool.setuptools.packages]
find = {namespaces = false, include=["mdahole2"], exclude=["devtools", "docs"]}
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