General improvements to GauXC-fortran guide#36
Merged
awvwgk merged 4 commits intomicrosoft:mainfrom Mar 23, 2026
Merged
Conversation
Contributor
Author
|
@microsoft-github-policy-service agree company="Microsoft" |
There was a problem hiding this comment.
Pull request overview
Documentation-focused updates to the GauXC-fortran guides to make the standalone, installation, and Fortran-library workflows easier to follow and less ambiguous for new users.
Changes:
- Added clearer prerequisite/setup guidance (Skala Python package note; “Before you start” section for Fortran guide).
- Improved wording and step placement guidance throughout the Fortran-library tutorial (blocks, macro references, HDF5 interface description).
- Added a suggested working directory layout for the Skala-patched GauXC source bundle.
Reviewed changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 1 comment.
| File | Description |
|---|---|
| docs/gauxc/standalone.rst | Adds a prerequisite note to install the Python skala package before running the export script. |
| docs/gauxc/installation.rst | Fixes a bullet typo, adds a suggested directory layout, and adjusts prerequisites text (but introduces a spacing/formatting typo). |
| docs/gauxc/fortran-library.rst | Adds a “Before you start” section and clarifies CMake/HDF5/API requirements and where code snippets belong in the example driver. |
💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
A number of small additions to the GauXC-fortran guide, helping in all those steps where it was not clear to me how to proceed.