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Open Source Science

https://github.com/singularitti/spglib.jl

A Julia wrapper for the spglib C-API

https://github.com/singularitti/spglib.jl

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    3 of 13 committers (23.1%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (9.4%) to scientific vocabulary

Keywords

c-api c-wrapper condensed-matter-physics crystal-structure crystallography julia-package materials-science scientific-computing symmetry-detection wrapper

Keywords from Contributors

numeric matrix-exponential julialang ida neural-sde pde hybrid-differential-equations physics controllers interpretability
Last synced: 5 months ago · JSON representation

Repository

A Julia wrapper for the spglib C-API

Basic Info
Statistics
  • Stars: 25
  • Watchers: 3
  • Forks: 10
  • Open Issues: 2
  • Releases: 26
Topics
c-api c-wrapper condensed-matter-physics crystal-structure crystallography julia-package materials-science scientific-computing symmetry-detection wrapper
Created over 6 years ago · Last pushed 6 months ago
Metadata Files
Readme License Code of conduct

README.md

Spglib

| Documentation | Stable Dev | | :---------------: | :--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | Build Status | Build Status Build StatusBuild Status | | Coverage | Coverage Coverage | | Others | Code Style: Blue License |

The code, which is hosted on GitHub, is tested using various continuous integration services for its validity.

This repository is created and maintained by @singularitti, and contributions are highly welcome.

Package features

Spglib.jl is a Julia wrapper of the C library Spglib. See this page. It is used for finding and handling crystal symmetries.

There was a package LibSymspg.jl thanks to @unkcpz. However, it is no longer actively maintained.

This package:

  • enables the finding and handling of crystal symmetries;
  • includes new naming conventions, input types, and return types of functions.

Installation

The package can be installed with the Julia package manager. From the Julia REPL, type ] to enter the Pkg mode and run:

julia-repl pkg> add Spglib

Or, equivalently, via Pkg.jl:

julia julia> import Pkg; Pkg.add("Spglib")

Documentation

  • STABLE — documentation of the most recently tagged version.
  • DEV — documentation of the in-development version.

Project status

The package is developed for and tested against Julia v1.6 and above on Linux, macOS, and Windows.

Questions and contributions

You can post usage questions on our discussion page.

We welcome contributions, feature requests, and suggestions. If you encounter any problems, please open an issue. The Contributing page has a few guidelines that should be followed when opening pull requests and contributing code.

Stargazers over time

Stargazers over time

Owner

  • Name: Qi Zhang
  • Login: singularitti
  • Kind: user
  • Location: 201 E 24th St, Austin, TX 78712
  • Company: Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin

Postdoc in computational physics / materials science, Julia language enthusiast

GitHub Events

Total
  • Create event: 1
  • Commit comment event: 2
  • Issues event: 4
  • Watch event: 7
  • Delete event: 3
  • Issue comment event: 12
  • Push event: 7
  • Pull request event: 4
Last Year
  • Create event: 1
  • Commit comment event: 2
  • Issues event: 4
  • Watch event: 7
  • Delete event: 3
  • Issue comment event: 12
  • Push event: 7
  • Pull request event: 4

Committers

Last synced: about 2 years ago

All Time
  • Total Commits: 884
  • Total Committers: 13
  • Avg Commits per committer: 68.0
  • Development Distribution Score (DDS): 0.367
Past Year
  • Commits: 440
  • Committers: 7
  • Avg Commits per committer: 62.857
  • Development Distribution Score (DDS): 0.084
Top Committers
Name Email Commits
singularitti s****i@o****m 560
Reno 2****i 260
github-actions[bot] 4****] 31
CompatHelper Julia c****y@j****g 10
Kipton Barros k****s@g****m 6
dependabot[bot] 4****] 5
Bonan Zhu z****n@o****m 3
harrisonlabollita h****9@l****u 3
Michael F. Herbst i****o@m****m 2
Jae-Mo Lihm j****6@g****m 1
Thomas Christensen t****r@m****u 1
wjy j****9@c****u 1
Julia TagBot 5****t 1
Committer Domains (Top 20 + Academic)
columbia.edu: 1 mit.edu: 1 michael-herbst.com: 1 lions.piedmont.edu: 1 julialang.org: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 27
  • Total pull requests: 157
  • Average time to close issues: about 2 months
  • Average time to close pull requests: 7 days
  • Total issue authors: 12
  • Total pull request authors: 12
  • Average comments per issue: 3.81
  • Average comments per pull request: 0.2
  • Merged pull requests: 124
  • Bot issues: 0
  • Bot pull requests: 64
Past Year
  • Issues: 2
  • Pull requests: 2
  • Average time to close issues: 10 days
  • Average time to close pull requests: about 20 hours
  • Issue authors: 2
  • Pull request authors: 2
  • Average comments per issue: 3.0
  • Average comments per pull request: 0.5
  • Merged pull requests: 2
  • Bot issues: 0
  • Bot pull requests: 1
View more stats
Top Authors
Issue Authors
  • singularitti (14)
  • kbarros (3)
  • ejmeitz (1)
  • abehersan (1)
  • jywu20 (1)
  • atbug (1)
  • mfherbst (1)
  • jaemolihm (1)
  • kfgarrity (1)
  • zhubonan (1)
  • mesonepigreco (1)
  • JuliaTagBot (1)
Pull Request Authors
  • singularitti (84)
  • github-actions[bot] (45)
  • restyled-io[bot] (12)
  • dependabot[bot] (9)
  • kbarros (4)
  • harrisonlabollita (2)
  • A-LOST-WAPITI (1)
  • mfherbst (1)
  • jaemolihm (1)
  • thchr (1)
  • zhubonan (1)
  • JuliaTagBot (1)
Top Labels
Issue Labels
bug (8) register version (7) enhancement (3) potential bug (2) good first issue (2) help wanted (1)
Pull Request Labels
formatting (18) automated pr (18) no changelog (18) dependencies (9) bug (1) breaking (1)

Packages

  • Total packages: 1
  • Total downloads:
    • julia 106 total
  • Total dependent packages: 8
  • Total dependent repositories: 0
  • Total versions: 27
juliahub.com: Spglib

A Julia wrapper for the spglib C-API

  • Versions: 27
  • Dependent Packages: 8
  • Dependent Repositories: 0
  • Downloads: 106 Total
Rankings
Dependent packages count: 9.4%
Dependent repos count: 9.9%
Forks count: 17.4%
Average: 18.1%
Stargazers count: 35.6%
Last synced: 6 months ago

Dependencies

.github/workflows/CI.yml actions
  • actions/checkout v4 composite
  • codecov/codecov-action v3 composite
  • julia-actions/cache v1 composite
  • julia-actions/julia-buildpkg v1 composite
  • julia-actions/julia-docdeploy v1 composite
  • julia-actions/julia-processcoverage v1 composite
  • julia-actions/julia-runtest v1 composite
  • julia-actions/setup-julia v1 composite
.github/workflows/CompatHelper.yml actions
.github/workflows/TagBot.yml actions
  • JuliaRegistries/TagBot v1 composite
.github/workflows/format_check.yml actions
  • actions/checkout v4 composite
  • julia-actions/setup-julia latest composite
.github/workflows/format_pr.yml actions
  • actions/checkout v4 composite
  • peter-evans/create-pull-request v5 composite
.github/workflows/register.yml actions
  • julia-actions/RegisterAction latest composite