semvec/pypi-packages huggingface dataset:
QCANT 1.0.0
A set of codes useful for near term applications of quantum computing in chemistry and materials science
Requires Python: >=3.8

QCANT
==============================
[//]: # (Badges)
[![GitHub Actions Build Status](https://github.com/srivathsanps-quantum/QCANT/workflows/CI/badge.svg)](https://github.com/srivathsanps-quantum/QCANT/actions?query=workflow%3ACI)
[![codecov](https://codecov.io/gh/srivathsanps-quantum/QCANT/branch/main/graph/badge.svg)](https://codecov.io/gh/srivathsanps-quantum/QCANT/branch/main)
[![Docs](https://img.shields.io/badge/docs-GitHub%20Pages-blue)](https://srivathsanps-quantum.github.io/QCANT/)


Utilities for near-term applications of quantum computing in chemistry and materials science.

This repository currently contains a lightweight, template-derived QCANT package. The public API is small
and intended to grow as project modules are added.

## Install

QCANT requires scientific Python dependencies (installed automatically when you `pip install QCANT`):

- `numpy<2`, `scipy<2`
- `pennylane`
- `pyscf`
- `autoray<0.7`

For development (recommended: conda env for the full stack):

```bash
conda env create -f devtools/conda-envs/qcant.yaml
conda activate qcant
pip install -e . --no-deps
```

For development (pip/venv):

```bash
pip install -e .
```

For users (once QCANT is published to PyPI):

```bash
pip install QCANT
```

## Release (PyPI)

This repo is configured to publish to PyPI from GitHub Actions using Trusted Publishing.

1. Create the project on PyPI and enable "Trusted Publishing" for:
	- Owner: `srivathsanps-quantum`
	- Repo: `QCANT`
	- Workflow: `publish-pypi.yml`
2. Tag a release (tag must start with a digit, e.g. `1.0.0`) and push the tag:

```bash
git tag 1.0.0
git push origin 1.0.0
```

That tag push triggers the publish workflow.

## Quickstart

```python
import QCANT

print(QCANT.canvas())
```

## Documentation

Hosted documentation:

- https://srivathsanps-quantum.github.io/QCANT/

The documentation lives in `docs/` and is built with Sphinx:

```bash
cd docs
make html
```

The output will be in `docs/_build/html`.

### Copyright

Copyright (c) 2025, Asthana Lab


#### Acknowledgements
 
Project based on the 
[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.11.
issuedb 2.8.2
A command-line issue tracking system for software development projects
Requires Python: >=3.8
Keywords: issue tracking, task management, cli, project management

# IssueDB

A command-line issue tracking system for software development projects. IssueDB provides a simple yet concrete way to manage issues, bugs, and tasks directly from your terminal with a **per-directory database model** - each directory gets its own issue database.

## Installation

```bash
pip install issuedb
```

For Web UI support:

```bash
pip install issuedb[web]
```

## Quick Start

```bash
# Create an issue
issuedb-cli create -t "Fix login bug" --priority high

# List open issues
issuedb-cli list -s open

# Get the next issue to work on
issuedb-cli get-next
```

## Usage

### Issue Management

```bash
# Create
issuedb-cli create -t "Add feature X" -d "Description..." --priority high --tag v1.0

# List
issuedb-cli list
issuedb-cli list -s open -p critical
issuedb-cli list --tag v1.0

# Get details
issuedb-cli get 1

# Update
issuedb-cli update 1 -s in-progress
issuedb-cli update 1 --due-date 2025-12-31

# Delete
issuedb-cli delete 1
```

### Web Interface

Start the local web server to manage issues visually.

```bash
issuedb-cli web
```

![Dashboard](docs/screenshots/dashboard.png)
*Dashboard with statistics and active issue tracking*

![Issues List](docs/screenshots/issues-list.png)
*Issues list with filtering and search*

![Issue Detail](docs/screenshots/issue-detail.png)
*Issue detail with comments, links, and history*

![Issue Detail Full](docs/screenshots/issue-detail-full.png)
*Extended issue detail view*

![Create Issue](docs/screenshots/create-issue.png)
*Create new issue form*

![Audit Log](docs/screenshots/audit-log.png)
*Complete audit log of all changes*

### Advanced Features

```bash
# Memory (Agent Context)
issuedb-cli memory add "project_style" "PEP8"
issuedb-cli memory list

# Lessons Learned
issuedb-cli lesson add "Always validate input" -c security
issuedb-cli lesson list

# Tagging
issuedb-cli tag add 1 bug frontend
issuedb-cli list --tag bug

# Dependencies
issuedb-cli block 5 --by 3
issuedb-cli deps 5

# Time Tracking
issuedb-cli timer-start 1
issuedb-cli timer-stop
issuedb-cli time-report

# Code References
issuedb-cli attach 1 --file "src/main.py:42"
issuedb-cli refs 1

# Audit Log
issuedb-cli audit -i 1
```

## LLM Agent Integration

IssueDB is designed for AI agents. Use the prompt guide:

```bash
issuedb-cli --prompt
```

Or use the JSON output format for all commands:

```bash
issuedb-cli --json list
```

## License

Apache License 2.0