semvec/pypi-packages huggingface dataset:
commitcleaner 0.6.0
A tool to clean Git commit history.
Keywords: git commit clean

# CommitCleaner

CommitCleaner is a tool designed to neatly reset the commit history of your Git repository while keeping the current state of the code intact. This utility allows you to maintain a clean repository, starting afresh without the clutter of unnecessary history.

## Features

- Removes Git commit history
- Retains the current state of the code
- Creates a new initial commit

## Installation

CommitCleaner is written in Python and can be easily installed via pip:

```bash
pip install commitcleaner
```

## Usage
Once installed, you can execute the `commitcleaner` command in your command line within the directory of your Git repository to reset its commit history:

```bash
cd {your project}
commitcleaner
```

This command performs the following actions:

1. Creates an orphan branch named `latest_branch`.
2. Adds all files to the staging area.
3. Creates a new commit with the message "Initial commit".
4. Deletes the existing `main` branch.
5. Renames the current branch to `main`.
6. Force pushes the changes to the remote repository.

## Caution
- It is advisable to backup important data before using this tool, as the process of removing commit history is irreversible.
- Force pushing (`git push -f`) to a remote repository can cause synchronization issues with other collaborators. Discuss with your team before using.

## Acknowledgments
This tool was inspired by a Stack Overflow answer, which provides a method for removing Git commit history while keeping the code in its current state. You can find the original solution [here](https://stackoverflow.com/a/26000395/10386667).

## Credits
This project was generated with the assistance of ChatGPT-4, an advanced language model developed by OpenAI. The tool's concept, code snippets, and documentation were crafted through interactive sessions with the AI, showcasing the potential of AI-assisted software development.

## Contributing
If you would like to contribute to the `commitcleaner` project, please feel free to submit an issue or a pull request on GitHub. All contributions are welcome!

## License
This project is distributed under the [MIT License](/LICENSE).
qeapp-xps 0.1.1
A plugin for calculating X-ray Photoelectron Spectroscopy (XPS) spectra.


Welcome to QEapp XPS plugin!
===========================================

A plugin for calculating X-ray Photoelectron Spectroscopy (XPS) spectra using the [`XpsWorkChain`](https://github.com/aiidateam/aiida-quantumespresso/blob/main/src/aiida_quantumespresso/workflows/xps.py) of aiida-quantumespresso package.

## Setting Panel
The Setting panel allows users to
- select the peak (element and orbital) to be calculated. The availability of peak in the panel depends on the corresponding pseudopotentials.
- adjust the parameters based on the input structure.

![Screenshot from 2024-01-29 17-10-09](https://github.com/aiidalab/aiidalab-qe/assets/11457659/d92574a1-6213-4aea-b949-a06bb45a7e3e)


## Results Panel
The Result panel displays the final XPS spectrum.
- broadened spectrum using a Voight profile (combined Lorenzian and Gaussian)
- the chemical shift values (differences in total energy relative to the lowest value)
- absolute binding energy

![Screenshot from 2024-01-29 18-02-42](https://github.com/aiidalab/aiidalab-qe/assets/11457659/a8ab265d-08a3-411e-a22c-83ed0840752f)


Pseudopotentials
XPS calculations in QE require core-hole pseudopotentials. We supply a set of pseudopotentials specific to XPS calculations in the [XPS Pseudopotential Repository](https://github.com/superstar54/xps-data). This repository provides the core-hole pseudopotentials as an AiiDA archive file. There are two kind of pseudopotentials available:
- pbe
- pbesol

## WorkChain
To make the setting as simple as possible for user. The following default setting are used.
- `core_hole_treatment`. 
  - `full` for molecule
  - `xch_smear` for metal
  - `xch_fixed` for insulator
- `supercell_min_parameter` updated based on `protocol`.
omero-slurm-client 1.1.2
deprecated omero_slurm_client package, use biomero instead

# ⚠️⚠️⚠️ Summary ⚠️⚠️⚠️

⚠️⚠️⚠️ The **`omero_slurm_client` PyPI package is deprecated, use `biomero` instead** ⚠️⚠️⚠️

We have renamed the omero_slurm_client package to biomero, to reduce confusion with different names.

Install the latest biomero instead: 
```
pip install biomero
```

Then change your imports to use that package:
```
from biomero import SlurmClient
```

Any new changes, features and bug fixes will only be applied to the `biomero` GitHub and PyPI package: https://pypi.org/project/biomero/