Releases: MineralsCloud/AbInitioSoftwareBase.jl
Releases · MineralsCloud/AbInitioSoftwareBase.jl
v0.10.1
AbInitioSoftwareBase v0.10.1
Merged pull requests:
- Rename
get_path
&set_path
& Add functionunsetpath
(#83) (@singularitti) - Implement
Command(mpiexec::Mpiexec)
, deprecateMpiexec
as a functor (#84) (@singularitti) - Add abstract types
ExecutableChain
&Executable
, subtypeMpiexec
fromExecutable
(#85) (@singularitti) - CompatHelper: add new compat entry for ComposableCommands at version 0.2, (keep existing compat) (#86) (@github-actions[bot])
- Bump actions/checkout from 3 to 4 (#87) (@dependabot[bot])
- Bump codecov/codecov-action from 3 to 4 (#88) (@dependabot[bot])
- Move
EachPotential
&eachpotential
from QuantumESPRESSOBase.jl to here (#89) (@singularitti)
v0.10.0
AbInitioSoftwareBase v0.10.0
Merged pull requests:
- Bump peter-evans/create-pull-request from 4 to 5 (#81) (@dependabot[bot])
- Deprecate
Inputs
as a module, Renamegetpotentials
tolistpotentials
(#82) (@singularitti)
v0.9.1
AbInitioSoftwareBase v0.9.1
Merged pull requests:
- Bump peter-evans/create-pull-request from 2 to 4 (#73) (@dependabot[bot])
- Bump actions/checkout from 2 to 3 (#74) (@dependabot[bot])
- Bump codecov/codecov-action from 1 to 3 (#75) (@dependabot[bot])
- Bump actions/cache from 1 to 3 (#76) (@dependabot[bot])
- CompatHelper: bump compat for Compat to 4, (keep existing compat) (#79) (@github-actions[bot])
v0.6.5
AbInitioSoftwareBase v0.6.5
Merged pull requests:
- Bump peter-evans/create-pull-request from 2 to 4 (#73) (@dependabot[bot])
- Bump actions/checkout from 2 to 3 (#74) (@dependabot[bot])
- Bump codecov/codecov-action from 1 to 3 (#75) (@dependabot[bot])
- Bump actions/cache from 1 to 3 (#76) (@dependabot[bot])
- CompatHelper: bump compat for Compat to 4, (keep existing compat) (#79) (@github-actions[bot])
v0.6.4
AbInitioSoftwareBase v0.6.4
v0.6.3
AbInitioSoftwareBase v0.6.3
Closed issues:
- Register version v0.6.2 (#70)
Merged pull requests:
- Deprecate
asstring
, just usestring
(#71) (@singularitti) - Fix
writetxt
(#72) (@singularitti)
v0.9.0
AbInitioSoftwareBase v0.9.0
Closed issues:
Merged pull requests:
- Deprecate
asstring
, just usestring
(#71) (@singularitti) - Fix
writetxt
(#72) (@singularitti)
v0.8.1
AbInitioSoftwareBase v0.8.1
Closed issues:
Merged pull requests:
- fix
load
ing YAML: Save YAML to JSON, then parse JSON (#68) (@singularitti)
v0.6.2
AbInitioSoftwareBase v0.6.2
Closed issues:
- Register version v0.6.1 (#67)
Merged pull requests:
- fix
load
ing YAML: Save YAML to JSON, then parse JSON (#68) (@singularitti)
v0.6.1
AbInitioSoftwareBase v0.6.1
Closed issues:
- Register v0.8.0 (#66)
Merged pull requests:
- New version: v0.6.0 (#55) (@singularitti)
- Move
MpiexecOptions.path
to a global preference (#56) (@singularitti) - Move
MpiexecOptions.path
to a global preference (#57) (@singularitti) - Deprecate type
MpiexecOptions
&MpiexecConfig
& Rewritempiexec
(#58) (@singularitti) - Remove docs of
MpiexecConfig
& Add Preferences.jl to docs (#59) (@singularitti) - Fix tests in #52 (#60) (@singularitti)
- New version: v0.7.0 (#61) (@singularitti)
- Add method
set_path
(#62) (@singularitti) - New version: v0.7.1 (#63) (@singularitti)
- CompatHelper: bump compat for Configurations to 0.17, (keep existing compat) (#64) (@github-actions[bot])
- Add interface functions
getpotentials
&getpseudodir
(#65) (@singularitti)