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fix project toml for OptimizationBase
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TorkelE committed May 26, 2024
1 parent e47c97b commit 078e1f2
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25 changes: 8 additions & 17 deletions docs/Project.toml
Original file line number Diff line number Diff line change
Expand Up @@ -4,8 +4,6 @@ BifurcationKit = "0f109fa4-8a5d-4b75-95aa-f515264e7665"
CairoMakie = "13f3f980-e62b-5c42-98c6-ff1f3baf88f0"
Catalyst = "479239e8-5488-4da2-87a7-35f2df7eef83"
DataFrames = "a93c6f00-e57d-5684-b7b6-d8193f3e46c0"
DiffEqParamEstim = "1130ab10-4a5a-5621-a13d-e4788d82bd4c"
DifferentialEquations = "0c46a032-eb83-5123-abaf-570d42b7fbaa"
Distributions = "31c24e10-a181-5473-b8eb-7969acd0382f"
Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
DynamicalSystems = "61744808-ddfa-5f27-97ff-6e42cc95d634"
Expand All @@ -15,21 +13,18 @@ IncompleteLU = "40713840-3770-5561-ab4c-a76e7d0d7895"
JumpProcesses = "ccbc3e58-028d-4f4c-8cd5-9ae44345cda5"
Latexify = "23fbe1c1-3f47-55db-b15f-69d7ec21a316"
LinearSolve = "7ed4a6bd-45f5-4d41-b270-4a48e9bafcae"
Logging = "56ddb016-857b-54e1-b83d-db4d58db5568"
ModelingToolkit = "961ee093-0014-501f-94e3-6117800e7a78"
NonlinearSolve = "8913a72c-1f9b-4ce2-8d82-65094dcecaec"
Optim = "429524aa-4258-5aef-a3af-852621145aeb"
Optimization = "7f7a1694-90dd-40f0-9382-eb1efda571ba"
OptimizationBBO = "3e6eede4-6085-4f62-9a71-46d9bc1eb92b"
OptimizationNLopt = "4e6fcdb7-1186-4e1f-a706-475e75c168bb"
OptimizationOptimJL = "36348300-93cb-4f02-beb5-3c3902f8871e"
OptimizationOptimisers = "42dfb2eb-d2b4-4451-abcd-913932933ac1"
OrdinaryDiffEq = "1dea7af3-3e70-54e6-95c3-0bf5283fa5ed"
Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
QuasiMonteCarlo = "8a4e6c94-4038-4cdc-81c3-7e6ffdb2a71b"
SciMLBase = "0bca4576-84f4-4d90-8ffe-ffa030f20462"
SciMLSensitivity = "1ed8b502-d754-442c-8d5d-10ac956f44a1"
Setfield = "efcf1570-3423-57d1-acb7-fd33fddbac46"
SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
SteadyStateDiffEq = "9672c7b4-1e72-59bd-8a11-6ac3964bc41f"
Expand All @@ -39,38 +34,34 @@ Symbolics = "0c5d862f-8b57-4792-8d23-62f2024744c7"

[compat]
BenchmarkTools = "1.5.0"
BifurcationKit = "0.3"
BifurcationKit = "0.3.3"
CairoMakie = "0.12"
Catalyst = "13"
DataFrames = "1.6"
DiffEqParamEstim = "2.2"
DifferentialEquations = "7.13"
Distributions = "0.25"
DynamicalSystems = "3.3"
Documenter = "1.4.1"
DynamicalSystems = "3.3"
GlobalSensitivity = "2.6"
HomotopyContinuation = "2.9"
IncompleteLU = "0.2"
JumpProcesses = "9.11"
Latexify = "0.16"
LinearSolve = "2.30"
ModelingToolkit = "9.15"
NonlinearSolve = "3.11"
NonlinearSolve = "3.12"
Optim = "1.9"
Optimization = "3.24"
Optimization = "3.25"
OptimizationBBO = "0.2"
OptimizationNLopt = "0.2"
OptimizationOptimJL = "0.3"
OptimizationOptimisers = "0.2"
OrdinaryDiffEq = "6.80"
Plots = "1.40"
QuasiMonteCarlo = "0.3"
SciMLBase = "2.38"
SciMLSensitivity = "7.56"
Setfield = "1.1"
SciMLBase = "2.39"
SciMLSensitivity = "7.59"
SpecialFunctions = "2.4"
StaticArrays = "1.9"
SteadyStateDiffEq = "2.2"
StochasticDiffEq = "6.65"
StructuralIdentifiability = "0.5"
Symbolics = "5.28"
StructuralIdentifiability = "0.5.7"
Symbolics = "5.28"
2 changes: 1 addition & 1 deletion docs/src/assets/Project.toml
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ DifferentialEquations = "0c46a032-eb83-5123-abaf-570d42b7fbaa"
Distributions = "31c24e10-a181-5473-b8eb-7969acd0382f"
Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
DynamicalSystems = "61744808-ddfa-5f27-97ff-6e42cc95d634"
GlobalSensitivity = "af5da776-676b-467e-8baf-acd8249e4f0f"#
GlobalSensitivity = "af5da776-676b-467e-8baf-acd8249e4f0f"
HomotopyContinuation = "f213a82b-91d6-5c5d-acf7-10f1c761b327"
IncompleteLU = "40713840-3770-5561-ab4c-a76e7d0d7895"
JumpProcesses = "ccbc3e58-028d-4f4c-8cd5-9ae44345cda5"
Expand Down
2 changes: 1 addition & 1 deletion docs/src/inverse_problems/behaviour_optimisation.md
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ Our model consists of 3 species: $X$ (the input node), $Y$ (an intermediary), an
```@example behaviour_optimization
using Catalyst
incoherent_feed_forward = @reaction_network begin
@discrete_events [10.0] ~ [p ~ 10*p]
@discrete_events [10.0] => [pX ~ 10*pX]
pX, 0 --> X
pY*X, 0 --> Y
pZ*X/Y, 0 --> Z
Expand Down
12 changes: 6 additions & 6 deletions docs/src/model_creation/dsl_advanced.md
Original file line number Diff line number Diff line change
Expand Up @@ -182,7 +182,7 @@ end
It is possible to add both default values and metadata to a parameter/species. In this case, first provide the default value, and next the metadata. I.e. to in the above example set $kA$'s default value to $1.0$ we use
```@example dsl_advanced_metadata
two_state_system = @reaction_network begin
@parameters kA=1.0 [description="X's activation rate", bounsd=(0.01,10.0)]
@parameters kA=1.0 [description="X's activation rate", bounds=(0.01,10.0)]
(ka,kD), Xi <--> Xa
end
```
Expand All @@ -191,10 +191,10 @@ When designating metadata for species/parameters in `begin ... end` blocks the s
```@example dsl_advanced_metadata
two_state_system = @reaction_network begin
@parameters begin
kA, [description="X's activation rate", bounds=(0.01,10.0)]
kD = 1.0, [description="X's deactivation rate"]
kA, [description="X's activation rate", bounds=(0.01,10.0)]
kD = 1.0, [description="X's deactivation rate"]
end
(ka,kD), Xi <--> Xa
(kA,kD), Xi <--> Xa
end
```

Expand Down Expand Up @@ -350,7 +350,7 @@ sol[:Xtot]
to get a vector with `Xtot`'s value throughout the simulation. We can also use
```@example dsl_advanced_observables
using Plots
plot(sol; idxs = [:Xtot, :Ytot])
plot(sol; idxs = :Xtot)
```
to plot the observables (rather than the species).

Expand Down Expand Up @@ -378,7 +378,7 @@ Observables are by default considered [variables](@ref ref) (not species). To de
```@example dsl_advanced_observables
rn = @reaction_network begin
@species Xtot(t)
@observables Xtot ~ X + n*XnXY
@observables Xtot ~ X + n*Xn
(kB,kD), n*X <--> Xn
end
nothing # hide
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -117,6 +117,7 @@ nothing # hide
```
We can now simulate linear pathways of arbitrary lengths using a simple syntax. We use this to recreate our previous result from the DSL:
```@example programmatic_generative_linear_pathway_generative
using OrdinaryDiffEq, Plots # hide
sol_n3 = solve(generate_oprob(3))
sol_n10 = solve(generate_oprob(10))
plot(sol_n3; idxs = :Xend, label = "n = 3")
Expand Down
2 changes: 1 addition & 1 deletion docs/src/model_simulation/ode_simulation_performance.md
Original file line number Diff line number Diff line change
Expand Up @@ -235,7 +235,7 @@ plot(0.01:0.01:1.0, map(sol -> sol[:P][end], esol.u), xguide = "kP", yguide = "P
```

Above, we have simply used `EnsembleProblem` as a convenient interface to run a large number of similar simulations. However, these problems have the advantage that they allow the passing of an *ensemble algorithm* to the `solve` command, which describes a strategy for parallelising the simulations. By default, `EnsembleThreads` is used. This parallelises the simulations using [multithreading](https://en.wikipedia.org/wiki/Multithreading_(computer_architecture)) (parallelisation within a single process), which is typically advantageous for small problems on shared memory devices. An alternative is `EnsembleDistributed` which instead parallelises the simulations using [multiprocessing](https://en.wikipedia.org/wiki/Multiprocessing) (parallelisation across multiple processes). To do this, we simply supply this additional solver to the solve command:
```@example ode_simulation_performance_4
```julia
esol = solve(eprob, Tsit5(), EnsembleDistributed(); trajectories=100)
nothing # hide
```
Expand Down
2 changes: 1 addition & 1 deletion src/Catalyst.jl
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,7 @@ using ModelingToolkit: Symbolic, value, istree, get_unknowns, get_ps, get_iv, ge
import ModelingToolkit: get_variables, namespace_expr, namespace_equation, get_variables!,
modified_unknowns!, validate, namespace_variables,
namespace_parameters, rename, renamespace, getname, flatten,
is_alg_equation, is_diff_equation
is_alg_equation, is_diff_equation, getdescription, hasdescription

# internal but needed ModelingToolkit functions
import ModelingToolkit: check_variables,
Expand Down

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