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GitHub / materialsproject / pymatgen-io-validation
Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsproject%2Fpymatgen-io-validation
Stars: 9
Forks: 2
Open Issues: 7
License: other
Language: Python
Repo Size: 5.92 MB
Dependencies:
25
Created: 8 months ago
Updated: 6 days ago
Last pushed: 6 days ago
Last synced: 5 days ago
Files
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Readme
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Dependencies
.github/workflows/linting.yml
actions
- actions/checkout v2 composite
- actions/setup-python v2 composite
.github/workflows/testing.yml
actions
- actions/checkout v3 composite
- actions/setup-python v4 composite
- codecov/codecov-action v3 composite
pyproject.toml
pypi
requirements-dev.txt
pypi
- black ==22.3.0 development
- coverage ==6.2 development
- flake8 ==4.0.1 development
- mypy ==0.950 development
- pydocstyle ==6.1.1 development
- pylint ==2.13.8 development
- pytest ==7.1.2 development
- pytest-cov ==4.1.0 development
requirements.txt
pypi
- emmet-core ==0.72.7
- monty ==2023.9.25
- numpy ==1.26.1
- pydantic ==2.4.2
- pydantic-core ==2.10.1
- pydantic-settings ==2.0.3
- pymatgen ==2023.11.12
- requests ==2.31.0
- typing-extensions ==4.8.0