Data

Tools

Indexes

Applications

Experiments

Open Source Science

https://github.com/mineralscloud/pyqha.jl

A Julia-Python interface of https://github.com/MineralsCloud/qha

https://github.com/mineralscloud/pyqha.jl

Science Score: 13.0%

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
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Committers with academic emails
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (11.6%) to scientific vocabulary

Keywords

ffi ffi-wrapper first-principles-calculations julia-package materials-science python quasi-harmonic-approximation solid-state-physics

Keywords from Contributors

ab-initio-simulations quantum-espresso workflows provenance workflow-engine physics ab-initio abinitio-simulations condensed-matter-physics wrapper-library
Last synced: 6 months ago · JSON representation

Repository

A Julia-Python interface of https://github.com/MineralsCloud/qha

Basic Info
Statistics
  • Stars: 1
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 2
Topics
ffi ffi-wrapper first-principles-calculations julia-package materials-science python quasi-harmonic-approximation solid-state-physics
Created about 5 years ago · Last pushed over 2 years ago
Metadata Files
Readme License

README.md

PyQHA

| Documentation | Build Status | Others | | :--------------------------------------------------------------------------------: | :--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :---------------------------------------------------------------------------------------: | | Stable Dev | Build Status Build Status Build Status pipeline status Coverage | GitHub license Code Style: Blue |

The code is hosted on GitHub, with some continuous integration services to test its validity.

This repository is created and maintained by @singularitti. You are very welcome to contribute.

Installation

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

pkg> add PyQHA

Or, equivalently, via the Pkg API:

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

Documentation

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

Project status

The package is tested against, and being developed for, Julia 1.6 and above on Linux, macOS, and Windows.

Questions and contributions

You are welcome to post usage questions on our discussion page.

Contributions are very welcome, as are feature requests and suggestions. Please open an issue if you encounter any problems. The Contributing page has guidelines that should be followed when opening pull requests and contributing code.

Owner

  • Name: Minerals Cloud
  • Login: MineralsCloud
  • Kind: organization
  • Email: mineralscloudcu@gmail.com
  • Location: Columbia University, New York, NY, USA

Investigates minerals in the cloud

GitHub Events

Total
Last Year

Committers

Last synced: almost 3 years ago

All Time
  • Total Commits: 53
  • Total Committers: 4
  • Avg Commits per committer: 13.25
  • Development Distribution Score (DDS): 0.321
Top Committers
Name Email Commits
singularitti s****i@o****m 36
Reno 2****i@u****m 14
CompatHelper Julia c****y@j****g 2
github-actions[bot] 4****]@u****m 1
Committer Domains (Top 20 + Academic)
julialang.org: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 2
  • Total pull requests: 11
  • Average time to close issues: about 1 month
  • Average time to close pull requests: 15 days
  • Total issue authors: 2
  • Total pull request authors: 3
  • Average comments per issue: 2.5
  • Average comments per pull request: 0.09
  • Merged pull requests: 10
  • Bot issues: 0
  • Bot pull requests: 5
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • singularitti (1)
  • JuliaTagBot (1)
Pull Request Authors
  • singularitti (6)
  • github-actions[bot] (4)
  • restyled-io[bot] (1)
Top Labels
Issue Labels
register version (1)
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • julia 4 total
  • Total dependent packages: 1
  • Total dependent repositories: 0
  • Total versions: 2
juliahub.com: PyQHA

A Julia-Python interface of https://github.com/MineralsCloud/qha

  • Versions: 2
  • Dependent Packages: 1
  • Dependent Repositories: 0
  • Downloads: 4 Total
Rankings
Dependent repos count: 9.9%
Dependent packages count: 23.0%
Average: 37.7%
Forks count: 53.5%
Stargazers count: 64.2%
Last synced: 6 months ago

Dependencies

.github/workflows/CI.yml actions
  • actions/checkout v2 composite
  • codecov/codecov-action v2 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/register.yml actions
  • julia-actions/RegisterAction latest composite