Bump pyiron-atomistics from 0.3.11 to 0.4.1

[dependabot]

Bumps pyiron-atomistics from 0.3.11 to 0.4.1.

Release notes

Sourced from pyiron-atomistics's releases.

pyiron_atomistics-0.4.1

What's Changed

• Purge SerialMaster by @​pmrv in pyiron/pyiron_atomistics#1266
• Upgrade pyiron_base to 0.6.14 by @​jan-janssen in pyiron/pyiron_atomistics#1265
• Do not use .project_hdf5 by @​pmrv in pyiron/pyiron_atomistics#1267

Full Changelog: pyiron/pyiron_atomistics@pyiron_atomistics-0.4.0...pyiron_atomistics-0.4.1

pyiron_atomistics-0.4.0

What's Changed

• Add AtomisticsMaintenance by @​pmrv in pyiron/pyiron_atomistics#1249
  • in this PR parsing bugs for VASP are fixed and methods to reparse already finished jobs if necessary are provided.
• Update atomistics to 0.1.18 by @​jan-janssen in pyiron/pyiron_atomistics#1264

Full Changelog: pyiron/pyiron_atomistics@pyiron_atomistics-0.3.12...pyiron_atomistics-0.4.0

pyiron_atomistics 0.3.12

What's Changed

• merge main by @​jan-janssen in pyiron/pyiron_atomistics#1236
• Bump atomistics from 0.1.12 to 0.1.14 by @​dependabot in pyiron/pyiron_atomistics#1255
• Bump pylammpsmpi from 0.2.9 to 0.2.10 by @​dependabot in pyiron/pyiron_atomistics#1259
• Bump mp-api from 0.39.1 to 0.39.4 by @​dependabot in pyiron/pyiron_atomistics#1254
• make a file for sphinx parsers by @​samwaseda in pyiron/pyiron_atomistics#1230
• Fix lammps parser by @​samwaseda in pyiron/pyiron_atomistics#1261
• Bump atomistics from 0.1.14 to 0.1.16 by @​dependabot in pyiron/pyiron_atomistics#1263
• Bump pyiron-base from 0.6.12 to 0.6.13 by @​dependabot in pyiron/pyiron_atomistics#1262
• Bump pandas from 2.1.3 to 2.1.4 by @​dependabot in pyiron/pyiron_atomistics#1257
• Bump spglib from 2.1.0 to 2.2.0 by @​dependabot in pyiron/pyiron_atomistics#1256
• Bump pint from 0.22 to 0.23 by @​dependabot in pyiron/pyiron_atomistics#1258

Full Changelog: pyiron/pyiron_atomistics@pyiron_atomistics-0.3.11...pyiron_atomistics-0.3.12

Commits

• 6fa2d44 Merge pull request #1267 from pyiron/ekin_fix
• bb93280 Merge pull request #1265 from pyiron/pyiron_base
• c285da3 Do not use .project_hdf5
• ea7c962 Update environment.yml
• ccdc4a7 Update pyproject.toml
• 619d820 Merge pull request #1266 from pyiron/serial
• 1862ec6 Purge SerialMaster
• b9bd891 Merge pull request #1264 from pyiron/atomistics
• 9cd148c Update environment.yml
• 76f1f65 Update pyproject.toml
• Additional commits viewable in compare view

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 <dependency name> 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)

[github-actions]

👈 Launch a binder notebook on branch pyiron/pyiron_workflow/dependabot/pip/pyiron-atomistics-0.4.1

[dependabot]

OK, I won't notify you again about this release, but will get in touch when a new version is available. If you'd rather skip all updates until the next major or minor version, let me know by commenting @dependabot ignore this major version or @dependabot ignore this minor version. You can also ignore all major, minor, or patch releases for a dependency by adding an ignore condition with the desired update_types to your config file.

If you change your mind, just re-open this PR and I'll resolve any conflicts on it.

[codacy-production]

Coverage summary from Codacy

See diff coverage on Codacy

Coverage variation	Diff coverage
✅ +0.00% (target: -1.00%)	✅ ∅

Coverage variation details

	Coverable lines	Covered lines	Coverage
Common ancestor commit (80bb89d)	2500	2133	85.32%
Head commit (73c964d)	2500 (+0)	2133 (+0)	85.32% (+0.00%)

Coverage variation is the difference between the coverage for the head and common ancestor commits of the pull request branch: <coverage of head commit> - <coverage of common ancestor commit>

Diff coverage details

	Coverable lines	Covered lines	Diff coverage
Pull request (#142)	0	0	∅ (not applicable)

Diff coverage is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: <covered lines added or modified>/<coverable lines added or modified> * 100%

See your quality gate settings    Change summary preferences

_{You may notice some variations in coverage metrics with the latest Coverage engine update. For more details, visit the documentation}

[coveralls]

Pull Request Test Coverage Report for Build 7390656907

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 90.251%

---

Totals
Change from base Build 7279957770:	0.0%
Covered Lines:	4536
Relevant Lines:	5026

---

💛 - Coveralls