Metadata-Version: 2.4
Name: httk2
Version: 2.0.0
Summary: The high-throughput toolkit (httk₂) for materials science
Author-email: Rickard Armiento <rickard-gpg@armiento.net>
License-Expression: AGPL-3.0-or-later
Project-URL: Homepage, https://httk.org
Project-URL: Documentation, https://docs.httk.org
Project-URL: Repository, https://github.com/httk/httk2
Project-URL: Issues, https://github.com/httk/httk2/issues
Keywords: Materials Discovery,Materials Informatics,Materials Science
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.12
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: httk-core<3,>=2.0.0
Requires-Dist: httk-io<1,>=0.1.0
Requires-Dist: httk-atomistic<1,>=0.1.0
Provides-Extra: web
Requires-Dist: httk-web<1,>=0.1.0; extra == "web"
Provides-Extra: optimade
Requires-Dist: httk-optimade<1,>=0.1.0; extra == "optimade"
Provides-Extra: all
Requires-Dist: httk-web<1,>=0.1.0; extra == "all"
Requires-Dist: httk-optimade<1,>=0.1.0; extra == "all"
Provides-Extra: release
Requires-Dist: build>=1.2; extra == "release"
Requires-Dist: twine>=6.0; extra == "release"
Dynamic: license-file

# httk2

![Status: Pre-release](https://img.shields.io/badge/status-pre--release-red)

> **⚠️ PRE-RELEASE**
>
> The version assigned to *httk2* meta-package designates the overall version of *httk₂*,
> and thus starts at v2.0.0. However, versions v2.0.* are to be considered
> prereleases, and semantic versioning will not be used until v2.1.0.

The high-throughput toolkit (*httk₂*) is a modular Python toolkit for materials
science. This repository provides the `httk2` metapackage: it contains no Python
code of its own; ; instead, it installs a standard set of httk₂ modules, with
additional modules available through optional extras.

## Installation

Install the standard modules from PyPI:

```console
pip install httk2
```

This installs:

- [`httk-core`](https://github.com/httk/httk-core), providing `httk.core`
- [`httk-io`](https://github.com/httk/httk-io), providing `httk.io`
- [`httk-atomistic`](https://github.com/httk/httk-atomistic), providing
  `httk.atomistic`

The modules share the PEP 420 native namespace package `httk`; there is no
separate `httk2` import package.

## Optional modules

Web and OPTIMADE support can be installed separately:

```console
pip install "httk2[web]"
pip install "httk2[optimade]"
```

Install every module selected by this metapackage with:

```console
pip install "httk2[all]"
```

For a local checkout, the same dependency sets can be installed with
`pip install .` and `pip install ".[all]"`.
