Update quantum ESPRESSO to 7.5

[jan-janssen]

Summary by CodeRabbit

• Chores
  • Updated the QE dependency used in our quality engineering environment from 7.4 to 7.5 to align with the latest upstream fixes.
  • Improves CI reliability and compatibility without affecting application behavior.
  • No user-facing changes; functionality and APIs remain unchanged.
  • No action required from users; builds and tests will run against the updated dependency automatically.

[coderabbitai]

Walkthrough

Version bump of the qe dependency in the CI QE environment YAML from 7.4 to 7.5. Other entries, including the conda-forge channel and pwtools=1.3.0, remain unchanged. No code or public API changes.

Changes

Cohort / File(s)	Changes
CI environment update ./.ci_support/environment-qe.yml	Update qe version 7.4 → 7.5; retain conda-forge channel and pwtools=1.3.0

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~2 minutes

Possibly related PRs

• Test latest version of Quantum ESPRESSO #489 — Also updates .ci_support/environment-qe.yml for qe version (7.2→7.4), preceding this bump to 7.5.

Pre-merge checks (3 passed)

✅ Passed checks (3 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title Check	✅ Passed	The title "Update quantum ESPRESSO to 7.5" directly and concisely describes the primary change in this PR — bumping the quantum ESPRESSO dependency from 7.4 to 7.5 in .ci_support/environment-qe.yml — and aligns with the PR objectives, making it clear and appropriate for repository history scanning.
Docstring Coverage	✅ Passed	No functions found in the changes. Docstring coverage check skipped.

Poem

A bump, a hop, a tidy tweak—
My whiskers twitch, the logs now sleek.
QE hops from four to five,
The builds all hum, alive, alive!
I thump approval: version neat—
Carrots cached, CI complete. 🥕

✨ Finishing touches

🧪 Generate unit tests

• Create PR with unit tests
• Post copyable unit tests in a comment
• Commit unit tests in branch qe

---

Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out.

❤️ Share

• X
• Mastodon
• Reddit
• LinkedIn

_{Comment @coderabbitai help to get the list of available commands and usage tips.}

[coderabbitai]

Actionable comments posted: 0

🧹 Nitpick comments (1)

.ci_support/environment-qe.yml (1)

4-5: Nit: normalize version pin formatting

Conda env specs conventionally use no spaces around “=”. Consider normalizing both pins for consistency/readability.

- - qe =7.5
- - pwtools =1.3.0
+ - qe=7.5
+ - pwtools=1.3.0

📜 Review details

Configuration used: CodeRabbit UI

Review profile: CHILL

Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between d74cd56 and 31cbc55.

📒 Files selected for processing (1)

• .ci_support/environment-qe.yml (1 hunks)

⏰ Context from checks skipped due to timeout of 90000ms. You can increase the timeout in your CodeRabbit configuration to a maximum of 15 minutes (900000ms). (14)

• GitHub Check: unittest_grace
• GitHub Check: unittest_siesta
• GitHub Check: unittest_qe
• GitHub Check: unittest_old
• GitHub Check: unittest_matgl
• GitHub Check: unittest_mace
• GitHub Check: unittest_sphinxdft
• GitHub Check: unittest_matrix (ubuntu-latest, 3.11)
• GitHub Check: minimal
• GitHub Check: unittest_matrix (windows-latest, 3.12)
• GitHub Check: unittest_matrix (ubuntu-latest, 3.12)
• GitHub Check: unittest_matrix (macos-latest, 3.12)
• GitHub Check: unittest_gpaw
• GitHub Check: coverage

🔇 Additional comments (1)

.ci_support/environment-qe.yml (1)

4-4: Blocking: revert qe to 7.4 — conda-forge doesn't have qe 7.5 yet

conda-forge currently provides qe v7.4 (linux-64/osx-64/linux-aarch64); bumping to 7.5 will make the CI env unsatisfiable. (anaconda.org)
Upstream QE 7.5 is released, but the conda-forge feedstock has not published 7.5 yet — publish the feedstock first or keep 7.4 in CI. (gitlab.com)

File: .ci_support/environment-qe.yml

- qe =7.5

Suggested quick fallback:

- - qe =7.5
+ - qe =7.4

Likely an incorrect or invalid review comment.

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 85.71%. Comparing base (609ee4f) to head (31cbc55).
⚠️ Report is 5 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #543   +/-   ##
=======================================
  Coverage   85.71%   85.71%           
=======================================
  Files          43       43           
  Lines        2591     2591           
=======================================
  Hits         2221     2221           
  Misses        370      370           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.