httk2

Status: Early beta

⚠️ EARLY BETA

This is an early beta release of httk₂. The organization of the packages and their APIs should not yet be regarded as stable, and may change between releases.

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 the standard set of httk₂ modules, each with its default feature set.

Installation

Install the standard modules from PyPI:

pip install httk2

This installs:

Each module is installed with its default extra, which selects that module's recommended optional features (for example numpy-backed numerics and spglib symmetry recognition).

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

For a local checkout, the same dependency set can be installed with pip install ..

Individual modules can also be installed on their own (for example pip install httk-core for a minimal, dependency-free core); see each module repository for its optional extras.

Developing httk₂

This repository's Makefile doubles as a small workspace manager for working on all httk₂ modules at once:

make checkout   # clone any missing module repositories into modules/
make fetch      # git fetch in every module repository
make pull       # git pull --ff-only in every module repository
make push       # git push in every module repository
make install    # editable-install every module (with its default extra)
                # into the currently activated virtual environment

checkout clones over SSH from git@github.com:httk/... and skips repositories already present, so it is safe to re-run. fetch, pull, and push operate on whatever branch each repository currently has checked out, continue past individual failures, and exit non-zero if any repository failed. install refuses to run without an activated virtual environment, and installs the modules in dependency order so each editable install finds its httk dependencies already in place.

Project links

Data verified by PyPI on Sep 14, 2026
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Credits

Author: Rickard Armiento

GitHub Statistics

Data verified by PyPI on Sep 14, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License expression

AGPL-3.0-or-later
View SPDX License List

Requires

Python >=3.12

Provides Extra

default release

Tags

Materials Discovery Materials Informatics Materials Science

Classifiers

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