pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
39 stars 15 forks source link

Bump spglib from 2.3.1 to 2.4.0 #1391

Closed dependabot[bot] closed 3 months ago

dependabot[bot] commented 3 months ago

Bumps spglib from 2.3.1 to 2.4.0.

Release notes

Sourced from spglib's releases.

Spglib v2.4.0

What's Changed

🎉 New Features

🐞 Bug fixes

Other changes

Full Changelog: https://github.com/spglib/spglib/compare/v2.3.1...v2.4.0

Changelog

Sourced from spglib's changelog.

v2.4.0 (11 Apr. 2024)

Main Changes

  • Separated the CMake sub-projects to be buildable as standalone projects with pre-installed Spglib C library: test, python, fortran
  • Bumped minimum CMake version to 3.20 (Note: previously the project was not tested for the minimum CMake version)
  • Migrated the example and package test to the ctest test-suite
  • Properly mark all deprecated functions where possible
  • Fix excessive debug/warning message prints
  • Debug and warning messages are controlled by:
    • Environment variable SPGLIB_DEBUG: Define any value to enable printing of debug messages
    • Environment variable SPGLIB_WARNING: Set to OFF to disable warning printing
    • CMake option SPGLIB_DEBUG, SPGLIB_WARNINGS: Disable the compilation of these messages all-together
  • Expanded Python distribution to more MacOS variants, including MacOS-14 (M1)

C Interface

  • Mark deprecated api with [[deprecated]] and pre-C23 equivalents
  • Explicitly mark public API for export

Python API

  • Fixed the Python module build and installation in the pure CMake environment (without scikit-build-core)
  • Use importlib to search and load the bundled spglib C library
  • Support editable installs
  • [#420] Raise TypeError when a given cell is invalid
  • [#420] Add type annotation for cell

CI

  • [#425] - Update to codecov v4
  • [#402] - Bump artifact actions to v4
  • [#402] - Build and inspect python sdist
  • [#431] - Test CMake versions
  • [#459] - Fix various CI issues
  • [#459] - Building for MacOS 14 (M1)
Commits


Dependabot compatibility score

Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting @dependabot rebase.


Dependabot commands and options
You can trigger Dependabot actions by commenting on this PR: - `@dependabot rebase` will rebase this PR - `@dependabot recreate` will recreate this PR, overwriting any edits that have been made to it - `@dependabot merge` will merge this PR after your CI passes on it - `@dependabot squash and merge` will squash and merge this PR after your CI passes on it - `@dependabot cancel merge` will cancel a previously requested merge and block automerging - `@dependabot reopen` will reopen this PR if it is closed - `@dependabot close` will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually - `@dependabot show ignore conditions` will show all of the ignore conditions of the specified dependency - `@dependabot ignore this major version` will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this minor version` will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this dependency` will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself)
coveralls commented 3 months ago

Pull Request Test Coverage Report for Build 8705274726

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details


Totals Coverage Status
Change from base Build 8682567212: 0.0%
Covered Lines: 14273
Relevant Lines: 15313

💛 - Coveralls
jan-janssen commented 3 months ago

Waiting for https://github.com/pyiron/atomistics/releases/tag/atomistics-0.1.26