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Merge pull request #222 from MineralsCloud:operators
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singularitti authored Jul 8, 2022
2 parents a53f6f7 + eeddf0f commit 487c596
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Showing 6 changed files with 14 additions and 43 deletions.
2 changes: 1 addition & 1 deletion Project.toml
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ EquationsOfStateOfSolids = "0.2, 0.3, 0.4"
Formatting = "0.4"
Pseudopotentials = "0.8"
PyQHA = "0.1"
SimpleWorkflows = "0.14, 0.15, 0.16"
SimpleWorkflows = "0.16"
Unitful = "0.13, 0.14, 0.15, 0.16, 0.17, 0.18, 1"
julia = "1"

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6 changes: 3 additions & 3 deletions src/ConvergenceTestWorkflow/Recipes.jl
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ module Recipes

using AbInitioSoftwareBase: load
using Serialization: deserialize
using SimpleWorkflows: Job, Workflow, run!, , ,
using SimpleWorkflows: Job, Workflow, run!, , , ,

using ..ConvergenceTestWorkflow:
Scf, DownloadPotentials, LogMsg, MakeInput, RunCmd, TestConvergence, buildjob
Expand All @@ -22,8 +22,8 @@ function buildworkflow(cfgfile)
c = buildjob(RunCmd{Scf}(), cfgfile)
d = buildjob(TestConvergence{Scf}(), cfgfile)
e = Job(() -> LogMsg{Scf}()(; start = false))
((((a0 a) b) c) d) e
return Workflow(a0, a, b..., c..., d, e)
a0 a b c d e
return Workflow(a0)
end
end

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6 changes: 3 additions & 3 deletions src/EquationOfStateWorkflow/Recipes.jl
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ module Recipes

using AbInitioSoftwareBase: load
using Serialization: deserialize
using SimpleWorkflows: Job, Workflow, run!, , ,
using SimpleWorkflows: Job, Workflow, run!, , , ,

using ..Config: ExpandConfig
using ..EquationOfStateWorkflow:
Expand Down Expand Up @@ -32,8 +32,8 @@ function buildworkflow(cfgfile)
j0 = buildjob(GetData{stage}(), cfgfile)
j = buildjob(FitEos{stage}(), cfgfile)
l = Job(() -> LogMsg{stage}()(; start = false))
((((((((((a0 a) b) c) d0) d) f) g h) i) j0) j) l
return Workflow(a0, a, b..., c..., d0, d, f, g, h..., i..., j0, j, l)
a0 a b c d0 d f g h i j0 j l
return Workflow(a0)
end
end

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2 changes: 1 addition & 1 deletion src/PhononWorkflow/PhononWorkflow.jl
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ module PhononWorkflow
using AbInitioSoftwareBase: load
using AbInitioSoftwareBase.Inputs: Input
using Serialization: deserialize
using SimpleWorkflows: Workflow, run!,
using SimpleWorkflows: Workflow, run!,
using Unitful: ustrip, @u_str

using ..Express:
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35 changes: 3 additions & 32 deletions src/PhononWorkflow/Recipes.jl
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ module Recipes

using AbInitioSoftwareBase: load
using Serialization: deserialize
using SimpleWorkflows: Job, Workflow, run!, , ,
using SimpleWorkflows: Job, Workflow, run!, , , ,
using ..PhononWorkflow:
Scf,
Dfpt,
Expand Down Expand Up @@ -48,37 +48,8 @@ function buildworkflow(cfgfile)
n = buildjob(MakeInput{x}(), cfgfile)
o = buildjob(RunCmd{x}(), cfgfile)
p = Job(() -> LogMsg{x}()(; start = false))
(
(
(
(
(
((((((((((a0 a) b) c) d) e) f) g) h) i) j)
k
) l
) m
) n
) o
) p
return Workflow(
a0,
a,
b...,
c...,
d,
e,
f...,
g...,
h,
i,
j...,
k...,
l,
m,
n...,
o...,
p,
)
a0 a b c d e f g h i j k l m n o p
return Workflow(a0)
end
end

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6 changes: 3 additions & 3 deletions src/QuasiHarmonicApproxWorkflow/Recipes.jl
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
module Recipes

using SimpleWorkflows: Job, Workflow, run!,
using SimpleWorkflows: Job, Workflow, run!,
using ..QuasiHarmonicApproxWorkflow:
QuasiHarmonicApprox, MakeInput, CalculateThermodyn, Plot, buildjob

Expand All @@ -10,8 +10,8 @@ function buildworkflow(cfgfile)
a = buildjob(MakeInput{QuasiHarmonicApprox}(), cfgfile)
b = buildjob(CalculateThermodyn{QuasiHarmonicApprox}(), cfgfile)
c = buildjob(Plot{QuasiHarmonicApprox}(), cfgfile)
a b c
return Workflow(a, b, c)
a b c
return Workflow(a)
end

end

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