Develop #74
Develop #74
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WalkthroughThe recent updates focus on enhancing the installation process and managing warnings related to the Changes
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Actionable comments posted: 1
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Files selected for processing (9)
- .github/workflows/pip_install_test.yml (1 hunks)
- .github/workflows/test.yml (1 hunks)
- CHANGELOG.rst (1 hunks)
- README.md (1 hunks)
- docs/Installation.rst (1 hunks)
- docs/Troubleshooting.rst (2 hunks)
- docs/conf.py (1 hunks)
- doped/utils/symmetry.py (1 hunks)
- pyproject.toml (2 hunks)
Files skipped from review due to trivial changes (6)
- .github/workflows/test.yml
- CHANGELOG.rst
- docs/Installation.rst
- docs/Troubleshooting.rst
- docs/conf.py
- pyproject.toml
Additional Context Used
LanguageTool (5)
README.md (5)
Near line 8: Although a hyphen is possible, it is not necessary in a compound modifier in which the first word is an adverb that ends in ‘ly’.
Context: ...ducible, user-friendly yet powerful and fully-customisable manner. Tutorials showing the code fun...
Near line 15: Although a hyphen is possible, it is not necessary in a compound modifier in which the first word is an adverb that ends in ‘ly’.
Context: ...ures All features and functionality are fully-customisable: - Supercell Generation: Generate a...
Near line 23: Although a hyphen is possible, it is not necessary in a compound modifier in which the first word is an adverb that ends in ‘ly’.
Context: ...ections, etc. -PythonInterface: Fully-customisable, modularPythonAPI. Plug-and-play w/...
Near line 41: Possible missing comma found.
Context: ...lib, to prevent unnecessary warnings. Alternatively if desired,doped` can also be install...
Near line 54: If this is a compound adjective that modifies the following noun, use a hyphen.
Context: ...i.org/10.21105/joss.06433). Journal of Open Source Software 9 (96), 6433, 2024 ## `S...
Additional comments not posted (5)
.github/workflows/pip_install_test.yml (1)
43-43: LGTM! Ensure thespglibinstallation command works as intended in the CI environment.#!/bin/bash # Description: Verify the `spglib` installation command in the CI environment. # Test: Check the CI logs for any warnings or errors related to `spglib` installation. # Expect: No warnings or errors related to `spglib`. cat .github/workflows/pip_install_test.yml | grep 'spglib'README.md (1)
34-40: Installation instructions forspglibare clear and well-detailed.#!/bin/bash # Description: Verify the effectiveness of the `spglib` installation instructions. # Test: Check the README.md for clarity and completeness of the installation instructions. # Expect: Clear and complete instructions without ambiguity. cat README.md | grep 'spglib'doped/utils/symmetry.py (3)
30-35: Add a function to suppress spglib warnings by setting an environment variable.This function correctly sets the
SPGLIB_WARNINGenvironment variable to 'OFF', which should effectively suppress warnings from spglib as intended.
37-56: Add a function to check spglib version consistency and warn if mismatched.This function properly imports
spglib, retrieves both Python and C library versions, and compares them. If they differ, it raises a warning with detailed instructions on how to resolve the version mismatch. This is a good practice to ensure that the library versions are consistent, which can prevent subtle bugs or unexpected behavior.
58-59: Ensure the order of function calls is correct for initializing the environment.The order of function calls (
_check_spglib_version()followed by_set_spglib_warnings_env_var()) is logical. It ensures that any version inconsistencies are checked before setting the environment variable to suppress warnings. This order of operations is crucial for the correct initialization of the environment regardingspglib.
| `pip install git+https://github.com/spglib/spglib --config-settings=cmake.define.SPGLIB_SHARED_LIBS=OFF` | ||
| should be used after `pip install doped`, which ensures that the correct C libraries are bundled with | ||
| `spglib`, to prevent unnecessary warnings. | ||
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Consider adding a comma after "warnings" for better readability.
- should be used after `pip install doped`, which ensures that the correct C libraries are bundled with `spglib`, to prevent unnecessary warnings.
+ should be used after `pip install doped`, which ensures that the correct C libraries are bundled with `spglib`, to prevent unnecessary warnings,Committable suggestion was skipped due low confidence.
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