Releases: MineralsCloud/QuantumESPRESSOBase.jl
Releases · MineralsCloud/QuantumESPRESSOBase.jl
v0.12.1
QuantumESPRESSOBase v0.12.1
v0.12.0
QuantumESPRESSOBase v0.12.0
Merged pull requests:
- CompatHelper: bump compat for Spglib to 0.7, (keep existing compat) (#211) (@github-actions[bot])
- CompatHelper: bump compat for CrystallographyBase to 0.11, (keep existing compat) (#212) (@github-actions[bot])
- CompatHelper: bump compat for CrystallographyBase to 0.12, (keep existing compat) (#213) (@github-actions[bot])
- CompatHelper: bump compat for Spglib to 0.8, (keep existing compat) (#214) (@github-actions[bot])
- Bump actions/checkout from 3 to 4 (#215) (@dependabot[bot])
- CompatHelper: bump compat for CrystallographyBase to 0.13, (keep existing compat) (#216) (@github-actions[bot])
- CompatHelper: bump compat for CrystallographyBase to 0.14, (keep existing compat) (#217) (@github-actions[bot])
- Redefine
ReciprocalPoint
toSpecialPoint
(#218) (@singularitti) - Deprecate
CartesianFromFractional
, use the new API (#219) (@singularitti) - Replace
Setfield.@set!
withAccessors.@reset
(#220) (@singularitti) - CompatHelper: add new compat entry for Accessors at version 0.1, (keep existing compat) (#221) (@github-actions[bot])
- Move code from src/PWscf/crystallography.jl to ext/ChemicalFormulaExt.jl (#222) (@singularitti)
- Add extension
StructTypesExt
(#223) (@singularitti) - Move
find_symmetry
from src/PWscf/crystallography.jl to ext/CrystallographyExt.jl (#224) (@singularitti) - Fix cards (#226) (@singularitti)
- Move code to ext/UnitfulExt.jl & ext/UnitfulEquivalencesExt.jl (#227) (@singularitti)
- Make all
Card
's options to beSymbol
s, notString
s (#228) (@singularitti) - Fix leftover
option
ingetoption
(#229) (@singularitti) - Replace
listpotentials
witheachpotential
, Extendeachatom
(#230) (@singularitti) - CompatHelper: add new compat entry for CrystallographyCore at version 0.5, (keep existing compat) (#231) (@github-actions[bot])
- CompatHelper: bump compat for CrystallographyCore to 0.6, (keep existing compat) (#232) (@github-actions[bot])
v0.11.0
QuantumESPRESSOBase v0.11.0
Merged pull requests:
- Extend
listpotentials
, Deprecate moduleAbInitioSoftwareBase.Inputs
(#210) (@singularitti)
v0.10.1
QuantumESPRESSOBase v0.10.1
Merged pull requests:
- Bump peter-evans/create-pull-request from 4.2.3 to 4.2.4 (#205) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 4.2.4 to 5.0.0 (#206) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 5.0.0 to 5.0.1 (#207) (@dependabot[bot])
- CompatHelper: bump compat for ChemicalFormula to 0.3, (keep existing compat) (#208) (@github-actions[bot])
- Bump peter-evans/create-pull-request from 5.0.1 to 5.0.2 (#209) (@dependabot[bot])
v0.10.0
QuantumESPRESSOBase v0.10.0
Merged pull requests:
- Fix
PWscf
module with new methods (#197) (@singularitti) - Use
UnitfulEquivalences
indegauss
inElectronicTemperatureSetter
(#198) (@singularitti) - CompatHelper: add new compat entry for UnitfulEquivalences at version 0.2, (keep existing compat) (#199) (@github-actions[bot])
- Deprecate
allnamelists
, etc. (#200) (@singularitti) - Add more entries to
PWInput
(#201) (@singularitti) - Deprecate extending
Lattice
, uselatticevectors
(#202) (@singularitti) - Deprecate
Inputs
module in docs, Move inner modules likePWscf
out (#204) (@singularitti)
v0.9.0
QuantumESPRESSOBase v0.9.0
Merged pull requests:
- Extend
Formula
forAtomicPositionsCard
&PWInput
(#194) (@singularitti) - CompatHelper: add new compat entry for ChemicalFormula at version 0.2, (keep existing compat) (#195) (@github-actions[bot])
- Remove Functors.jl from deps (#196) (@singularitti)
v0.8.0
QuantumESPRESSOBase v0.8.0
Merged pull requests:
- Remove Compat.jl from deps, bump
compat
for Julia to v1.6+ (#185) (@singularitti) - Use
StructEquality.@struct_hash_equal
to replaceStructHelpers.@batteries
(#186) (@singularitti) - Update template files (#187) (@singularitti)
- CompatHelper: add new compat entry for StructEquality at version 2, (keep existing compat) (#189) (@github-actions[bot])
- CompatHelper: bump compat for Crystallography to 0.6, (keep existing compat) (#190) (@github-actions[bot])
- Fix extending
Cell
,Ibrav
,Bravais
, &Lattice
(#192) (@singularitti) - CompatHelper: add new compat entry for CrystallographyBase at version 0.10, (keep existing compat) (#193) (@github-actions[bot])
v0.7.8
QuantumESPRESSOBase v0.7.8
Merged pull requests:
- Bump peter-evans/create-pull-request from 4.0.4 to 4.1.1 (#176) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 4.1.1 to 4.2.0 (#180) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 4.2.0 to 4.2.1 (#181) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 4.2.1 to 4.2.2 (#182) (@dependabot[bot])
- Bump peter-evans/create-pull-request from 4.2.2 to 4.2.3 (#183) (@dependabot[bot])
- CompatHelper: bump compat for Functors to 0.4, (keep existing compat) (#184) (@github-actions[bot])
v0.7.7
QuantumESPRESSOBase v0.7.7
Merged pull requests:
- Bump peter-evans/create-pull-request from 4.0.3 to 4.0.4 (#173) (@dependabot[bot])
- CompatHelper: bump compat for Functors to 0.3, (keep existing compat) (#174) (@github-actions[bot])
- CompatHelper: bump compat for Spglib to 0.6, (keep existing compat) (#175) (@github-actions[bot])
v0.7.6
QuantumESPRESSOBase v0.7.6
Merged pull requests:
- Bump peter-evans/create-pull-request from 1.9.0 to 4.0.2 (#163) (@dependabot[bot])
- Bump codecov/codecov-action from 2 to 3 (#164) (@dependabot[bot])
- Bump actions/checkout from 2 to 3 (#165) (@dependabot[bot])
- No need to call
Pkg.update()
before you add a package (#167) (@navidcy) - Bump peter-evans/create-pull-request from 4.0.2 to 4.0.3 (#169) (@dependabot[bot])
- CompatHelper: bump compat for Compat to 4, (keep existing compat) (#170) (@github-actions[bot])
- CompatHelper: bump compat for Setfield to 1, (keep existing compat) (#171) (@github-actions[bot])