Skip to content

Update PseudoPotentialData requirement from 0.2 to 0.2, 0.3 in /docs#50

Open
dependabot[bot] wants to merge 1 commit intomasterfrom
dependabot/julia/docs/PseudoPotentialData-0.2-and-0.3
Open

Update PseudoPotentialData requirement from 0.2 to 0.2, 0.3 in /docs#50
dependabot[bot] wants to merge 1 commit intomasterfrom
dependabot/julia/docs/PseudoPotentialData-0.2-and-0.3

Conversation

@dependabot
Copy link
Contributor

@dependabot dependabot bot commented on behalf of github Feb 27, 2026

Updates the requirements on PseudoPotentialData to permit the latest version.

Release notes

Sourced from PseudoPotentialData's releases.

v0.3.0

PseudoPotentialData v0.3.0

Diff since v0.2.4

Note that this release increases the minor version and contains breaking changes:

  • The Artifacts.toml has been updated to point to PseudoLibrary version 0.2. This means that all pseudopotential identifiers now download the PseudoLibrary version 0.2 files.
  • This makes the new identifier dojo.nc.sr.pbe.v0_5_1-fix.standard.upf available, which largely refers to the same files as dojo.nc.sr.pbe.v0_5.standard.upf with the exception of the elements Bi, Pb, Po, Rn, Te, Tl for which ONCVPSP had a bug causing the exported UPF files to be wrong on the pseudodojo website. This bug we fixed in v0_5_1-fix and re-exported the relevant UPF files, such that these now contain the correct pseudopotentials. You should always use dojo.nc.sr.pbe.v0_5_1-fix.standard.upf instead of dojo.nc.sr.pbe.v0_5.standard.upf in your calculations.
  • Furthermore this results in a change of the rcut metadata parameter shipped with all PseudoDojo pseudopotential files. We now use rcut=5.99, which is the value hard-coded in ABINIT, in which the PseudoDojo potentials have actually been tested. To restore the previous behaviour use rcut=10.

Merged pull requests:

Commits

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 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)

@dependabot dependabot bot added dependencies Pull requests that update a dependency file julia Pull requests that update julia code labels Feb 27, 2026
Updates the requirements on [PseudoPotentialData](https://github.com/JuliaMolSim/PseudoPotentialData.jl) to permit the latest version.
- [Release notes](https://github.com/JuliaMolSim/PseudoPotentialData.jl/releases)
- [Commits](JuliaMolSim/PseudoPotentialData.jl@v0.2.0...v0.3.0)

---
updated-dependencies:
- dependency-name: PseudoPotentialData
  dependency-version: 0.3.0
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot force-pushed the dependabot/julia/docs/PseudoPotentialData-0.2-and-0.3 branch from 569ae3e to 720a6a3 Compare February 27, 2026 07:40
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

dependencies Pull requests that update a dependency file julia Pull requests that update julia code

Projects

None yet

Development

Successfully merging this pull request may close these issues.

0 participants