-
Notifications
You must be signed in to change notification settings - Fork 31
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Develop #74
Conversation
WalkthroughThe recent updates focus on enhancing the installation process and managing warnings related to the Changes
Warning Review ran into problemsProblems (1)
Thank you for using CodeRabbit. We offer it for free to the OSS community and would appreciate your support in helping us grow. If you find it useful, would you consider giving us a shout-out on your favorite social media? TipsChatThere are 3 ways to chat with CodeRabbit:
Note: Be mindful of the bot's finite context window. It's strongly recommended to break down tasks such as reading entire modules into smaller chunks. For a focused discussion, use review comments to chat about specific files and their changes, instead of using the PR comments. CodeRabbit Commands (invoked as PR comments)
Additionally, you can add CodeRabbit Configration File (
|
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Actionable comments posted: 1
Review Details
Configuration used: CodeRabbit UI
Review profile: CHILL
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. -Python
Interface: Fully-customisable, modularPython
API. 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 thespglib
installation 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 forspglib
are 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_WARNING
environment 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. | ||
|
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
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.
No description provided.