https://github.com/mineralscloud/quantumespresso.jl
This package could handle the interaction with Quantum ESPRESSO software
Science Score: 13.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
○.zenodo.json file
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○DOI references
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○Academic publication links
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○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (10.1%) to scientific vocabulary
Keywords
Keywords from Contributors
Repository
This package could handle the interaction with Quantum ESPRESSO software
Basic Info
Statistics
- Stars: 2
- Watchers: 2
- Forks: 0
- Open Issues: 1
- Releases: 22
Topics
Metadata Files
README.md
QuantumESPRESSO
| Documentation | Build Status | Others |
| :--------------------------------------------------------------------------------: | :--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------: | :---------------------------------------------------------------------------------------: |
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QuantumESPRESSO.jl is simply a wrapper of the types, methods, and commands defined in QuantumESPRESSOBase.jl, QuantumESPRESSOParser.jl, QuantumESPRESSOFormatter.jl, and QuantumESPRESSOCommands.jl under a common namespace.
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 QuantumESPRESSO
Or, equivalently, via the Pkg API:
julia
julia> import Pkg; Pkg.add("QuantumESPRESSO")
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
- Website: https://mineralscloud.github.io/
- Twitter: MineralsCloud
- Repositories: 39
- Profile: https://github.com/MineralsCloud
Investigates minerals in the cloud
GitHub Events
Total
- Delete event: 2
- Push event: 5
- Pull request event: 3
- Create event: 1
Last Year
- Delete event: 2
- Push event: 5
- Pull request event: 3
- Create event: 1
Committers
Last synced: almost 3 years ago
All Time
- Total Commits: 646
- Total Committers: 5
- Avg Commits per committer: 129.2
- Development Distribution Score (DDS): 0.178
Top Committers
| Name | Commits | |
|---|---|---|
| Qi Zhang | s****i@o****m | 531 |
| Reno | 2****i@u****m | 86 |
| github-actions[bot] | 4****]@u****m | 13 |
| CompatHelper Julia | c****y@j****g | 13 |
| dependabot[bot] | 4****]@u****m | 3 |
Committer Domains (Top 20 + Academic)
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 4
- Total pull requests: 79
- Average time to close issues: 12 days
- Average time to close pull requests: 22 days
- Total issue authors: 2
- Total pull request authors: 4
- Average comments per issue: 7.25
- Average comments per pull request: 0.14
- Merged pull requests: 61
- Bot issues: 0
- Bot pull requests: 52
Past Year
- Issues: 0
- Pull requests: 2
- Average time to close issues: N/A
- Average time to close pull requests: about 1 month
- Issue authors: 0
- Pull request authors: 1
- Average comments per issue: 0
- Average comments per pull request: 0.0
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 2
Top Authors
Issue Authors
- singularitti (3)
- JuliaTagBot (1)
Pull Request Authors
- github-actions[bot] (40)
- singularitti (27)
- dependabot[bot] (16)
- restyled-io[bot] (1)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 1
- Total downloads: unknown
- Total dependent packages: 1
- Total dependent repositories: 0
- Total versions: 22
juliahub.com: QuantumESPRESSO
This package could handle the interaction with Quantum ESPRESSO software
- Documentation: https://docs.juliahub.com/General/QuantumESPRESSO/stable/
- License: MIT
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Latest release: 0.11.0
published over 2 years ago
Rankings
Dependencies
- actions/checkout v4 composite
- codecov/codecov-action v4 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
- JuliaRegistries/TagBot v1 composite
- actions/checkout v4 composite
- julia-actions/setup-julia latest composite
- peter-evans/create-pull-request v5 composite
- julia-actions/RegisterAction latest composite