Releases | Open Source Science

amici - AMICI v0.34.1

Bugfix release.

Fixed a bug that would lead to incorrect model initialization in SBML models with initial assignments that depend on dynamic entities (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2939)

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Published by dweindl 9 months ago

amici - AMICI v0.34.0

The amici 0.34.0 release contains a number of bug fixes and new features.

Note that this will probably be the last release to include the MATLAB interface.

Fixes

Breaking changes Events are now also handled during pre-equilibration, presimulation, and post-equilibration. This may be a breaking change, as it may lead to different results for models with events that may trigger during these periods. This change is considered a bugfix, as it was not intended to ignore events during these periods. (by @dweindl in #2777, #2780, #2859, #2881, #2889, #2920, #2921, #2925)
Fixed various issues related to adjoint sensitivity analysis for models with events. While many cases are now supported, it is still highly recommended to check the ASA results for models with events against forward sensitivities or finite differences.
- Adjoint sensitivities for Python-imported models with events (by @paulstapor & @dweindl in https://github.com/AMICI-dev/AMICI/pull/1539)
- Fix Model::addAdjointQuadratureEventUpdate (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2787)
- Fix indexing errors for adjoint quadratures during event updates (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2796)
- Fix deltaxB dimensions (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2803)
- Fix (some) ASA event handling (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2797)
Fixed a number of issues related to the handling of events or discontinuities in general:
- Fixed import of DAE models with events (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2897)
- Fixed root functions for events with initialValue=trigger=false (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2910)
- Fixed check for sign change, fix Heaviside update (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2927)
Fixed sign of residuals (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2896)
Updated the steady state notebook to match the current implementation (by @plakrisenko & @dweindl in https://github.com/AMICI-dev/AMICI/pull/2891)
Improved sigma<=0 error reporting (by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2829)
Fixed sensitivities for the total abundances of conservation laws (only relevant if AMICI_EXPERIMENTAL_SBML_NONCONST_CLS is enabled) (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2782)
Fix sensitivities w.r.t. unused log-scaled NaN parameters (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2903)

Features

AMICI should now be pip-installable without pre-installing SWIG or BLAS (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2774, https://github.com/AMICI-dev/AMICI/pull/2772)
Event/discontinuity handling for JAX models
- Track discontinuities in JAX & fix gradient for models with parameter dependent roots (by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2815)
- Improve JAX event integration (by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2841)
- mask event functions in jax (by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2863)
Handle state-independent, parameter-dependent event triggers without root-finding (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2913)
Presimulation is now also supported in combination with adjoint sensitivities (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2786)
It is now possible to set a separate $t_0$ for pre-equilibration and main simulation (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2793)
Sensitivity analysis for AlgebraicRule / DAE models is now also supported for Python-imported models (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2101)
An optional random generator seed can now be passed to ExpData::ExpData(ReturnData const&, ...) when generating synthetic measurements (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2802)
Added ReturnData::plist (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2874)

... and extended tests, documentation, and many changes under the hood.

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.33.0...v0.34.0

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Published by dweindl 10 months ago

amici - AMICI v0.33.0

Note that this release requires Python >= 3.11.

Fixes

Fixed an issue in SBML AlgebraicRule processing leading to import failure if a species occurred in multiple AlgebraicRules

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2744

Fixed a potential segfault when running forward sensitivity analysis for models without state variables

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2749

Fixed a dimension bug for presimulation parameters in ExpDataView

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2746

Fixed incorrect initialization for initial assignments with explicit time dependence

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2779

Features

AMICI now supports SBML events with use_values_from_trigger_time=true

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2741

AMICI now supports SBML events with constant priorities

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2730

Other changes

doc: Added a caveats section listing some known issues and potentially unexpected behavior in AMICI

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2735

Added warnings for presimulation and steady state simulation with events. So far, events were not fully supported in these modes. This is subject to change.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2755

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.32.0...v0.33.0

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Published by dweindl 12 months ago

amici - AMICI v0.32.0

Breaking changes

Removed deprecated amici.petab_* modules (now under amici.petab.*)

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2658

Removed deprecated CLI options to amici_import_petab

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2671

Changed requirements

AMICI now requires a C++20-compatible compiler

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2660

AMICI now requires swig>=4.1

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2693

AMICI now uses the sbmlmath package for sympification of SBML math constructs

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2681

Fixes

Fixed Heaviside functions for <, > <=, >= which could have lead to incorrect simulation results.

Note that > and >=, as well as < and <= can't be distinguished in some cases (see https://github.com/AMICI-dev/AMICI/issues/2707). Avoid situations where this would matter.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2701

Prevent segfaults under pytest after swig4.3 wrapping

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2696

Fixed SetuptoolsDeprecationWarning: \project.license` as a TOML table is deprecated`

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2697

Updated Dockerfile, use Ubuntu 24.04 LTS

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2698

SBML import: Handle unsolvable event triggers

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2705

Added RTFUNC_FAIL simulation status

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2702

doc: Enable building docs with Python 3.13

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2704

Fixed crash for models without state variables

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2703

SBML import: avoid repeated xdot==0 checks

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2706

Fixed Boolean to float conversion issues during SBML import

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2725

Features

Support for XOR, == and != operators in SBML models

Note that not all (combinations of) Boolean functions will work well with AMICI's root-finding. It's recommended to verify the results.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2699, https://github.com/AMICI-dev/AMICI/pull/2708, and https://github.com/AMICI-dev/AMICI/pull/2716

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.31.2...v0.32.0

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Published by dweindl about 1 year ago

amici - AMICI v0.31.2

Bugfix-only release.

SBML import: Handle unsolvable event triggers by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2686
Fixed a clang compiler warning related to variable length arrays by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2688
Temporarily require interpax<=0.3.6 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2678
Update OpenBLAS installation script to work with CMake>=4 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2679
GHA: Don't run cron jobs on forks by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2669
Fixed Matlab documentation build with CMake 4.0 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2676

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.31.1...v0.31.2

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Published by dweindl about 1 year ago

amici - AMICI v0.31.1

Bugfix-only release.

Handle relational operators in SBML import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2652

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.31.0...v0.31.1

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Published by dweindl about 1 year ago

amici - AMICI v0.31.0

Added RDataReporting::observables_likelihood for computing observables, likelihood and the respective sensitivities by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2627, https://github.com/AMICI-dev/AMICI/pull/2633
JAX:
- Updated diffrax & jaxlib by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2632
- Avoid silent preequilibration failure in JAX by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2631
- jax vectorisation by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2636
- No flattening of timepoint specific overrides in jax by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2641
Faster PEtab parameter mapping by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2638, https://github.com/AMICI-dev/AMICI/pull/2640

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.30.1...v0.31.0

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Published by dweindl over 1 year ago

amici - AMICI v0.30.1

Bugfix-only release.

Removed eqx.debug.nan, fixes #2629 by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2630
Fixes an SBML import issue that led to incorrect results for models with species-dependent initial assignments (fixes #2642) by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2643
Fixed CVodeGetSensDky error message by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2644
Disabled CvodeF checkpointing to prevent certain rare crashes when forward integration takes exactly maxsteps integration steps, plus some additional yet unclear condition. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2645
Fixed rare crashes due to uncaught exceptions in ~FinalStateStorer by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2647

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.30.0...v0.30.1

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Published by dweindl over 1 year ago

amici - AMICI v0.30.0

Please note that the amici JAX model generation introduced in v0.29.0 is experimental, the API may substantially change in the future. Use at your own risk and do not expect backward compatibility.

Features

Added serialisation for JAX models

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2608

Disabled building the C++ extension by default when generating a JAX model

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2609

Separate pre-equilibration and dynamic simulation in jax

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2617

State reinitialisation in JAX

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2619

Fixes

Fixed ModelStateDerived copy ctor (fixes potential segfaults)

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2612

PEtab parameter mapping: fill in fixed parameter values for initial values

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2613

nan-safe log&divide for JAX models

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2611

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.29.0...v0.30.0

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Published by dweindl over 1 year ago

amici - AMICI v0.29.0

Fixes

Fixed race conditions in froot, which could have resulted in incorrect simulation results for models with events/heavisides/piecewise, for multi-threaded simulations.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2587

Fixed race conditions for the max-time check, which could have resulted in incorrect termination of simulations in case of multi-threaded simulations in combination with a time limit.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2587

Added missing fields in ExpData HDF5 I/O

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2593

Added missing fields in ReturnData HDF5 output

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2602

Features

Generate models in a JAX-compatible format (example)

by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1861

Faster fill_in_parameters_for_condition

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2586

Added Python function writeSimulationExpData for writing ExpData to HDF5

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2588

Improved import of amici-generated models via amici.import_model_module().

So far, it was not possible to import different model modules with the same name. This is now possible if they are in different directories. Overwriting an already imported module is still not possible (and never was); any attempts to do so will raise a RuntimeError. While model packages can, in principle, be imported using regular imports, it is strongly recommended to use amici.import_model_module().

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2604, https://github.com/AMICI-dev/AMICI/pull/2603, https://github.com/AMICI-dev/AMICI/pull/2596

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.28.0...v0.29.0

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Published by dweindl over 1 year ago

amici - AMICI v0.28.0

Breaking changes

Changed the default steady-state method to integrationOnly (by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2574)

The default mode for computing steady states and sensitivities at steady state was changed to integrationOnly (from previously integrateIfNewtonFails).

This was done for a more robust default behavior. For example, the evaluation in https://doi.org/10.1371/journal.pone.0312148 shows that - at least for some models - Newton's method may easily lead to physically impossible solutions.

To keep the previous behavior, use: python amici_model.setSteadyStateComputationMode(amici.SteadyStateComputationMode.integrateIfNewtonFails) amici_model.setSteadyStateSensitivityMode(amici.SteadyStateSensitivityMode.integrateIfNewtonFails)

Fixes

PEtab import: Fixed potentially incorrect sensitivities with observable/state-dependent sigmas. This was fixed for all cases amici can handle, others cases will now result in ValueErrors (https://github.com/AMICI-dev/AMICI/pull/2563).

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2562

Fixed potentially incorrect disabling of Newton's method

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2576

Fixed ModelStateDerived copy ctor, where previously dangling pointers could lead to crashes in some situations

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2583

Added missing simulation status codes

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2560

Check for unsupported observable IDs in sigma expressions

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2563

Features

Optional warning in fill_in_parameters

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2578

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.27.0...v0.28.0

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Published by dweindl over 1 year ago

amici - AMICI v0.27.0

This release comes with an updated version of the SUNDIALS package (7.1.1) (https://github.com/AMICI-dev/AMICI/pull/2513). For C++ users of some of AMICI's internal RAII classes, this may include some breaking changes. The Python API is not affected.

Note regarding *editable** installations (pip install -e ...):* Due to the SUNDIALS update, it will be necessary to clean out some temporary build directories (at least ThirdParty/sundials/build/, python/sdist/build/) before rebuilding the package.

Fixes

Fixed a bug that led to program termination if a root-after-reinitialization error (potentially also others) occurred at an output timepoint

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2555

CMake: Fixes compilation errors for models named model

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2547

Updated CMake export config, making it easier to use AMICI in CMake projects and fixing some potential issues with interferring packages

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2540

CMake: Set policies for CMake 3.31

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2539

Documentation fixes by @FFroehlich, @ChocolateCharlie, @dweindl

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.26.3...v0.27.0

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Published by dweindl over 1 year ago

amici - AMICI v0.26.3

Fixes

Skip building SuiteSparse shared libraries and build all subprojects together for slightly faster package installation

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2514 and https://github.com/AMICI-dev/AMICI/pull/2519

Got rid of petab DeprecationWarnings when using the amici_import_petab CLI

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2517

Now also sundials and suitesparse are built in debug mode when installing with ENABLE_AMICI_DEBUGGING=TRUE

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2515

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.26.2...v0.26.3

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Published by dweindl over 1 year ago

amici - AMICI v0.26.2

Fixes

Fixed a sympy float comparison issue in spline code that would cause an AssertionError

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2499

Fixed some warnings from recent CMake versions

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2492

Fixed a potential issue when including AMICI in a CMake project

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2493

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.26.1...v0.26.2

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Published by dweindl over 1 year ago

amici - AMICI v0.26.1

Fixes

Fixed some C++ exception handling that previously could crash Python under certain conditions

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2484

Disabled turning warnings into errors when building amici on GitHub Actions in downstream projects

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2481

Fixed CMP0167 warning with CMake 3.30

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2480

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Published by dweindl almost 2 years ago

amici - AMICI v0.26.0

AMICI v0.26.0 requires sympy>=1.12.1 and petab>=0.4.0.

Policy changes

Updated AMICI's versioning / deprecation policy

We will start removing deprecated features that had a deprecation warning for longer than six months in the next minor release.

Deprecations

Passing individual tables to amici_import_petab is now deprecated. Use a petab.Problem instance instead.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2464

Fixes

Fixed a bug where during installation of AMICI, an incorrect sundials CMake would be used resulting in installation errors.

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2468

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.25.2...v0.26.0

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Published by dweindl almost 2 years ago

amici - AMICI v0.25.2

Fixes

Fixed a bug in PEtab import which led to incorrect gradients w.r.t. estimated initial values specified via the condition table BREAKING CHANGE: amici.petab.sbml_import.{import_model_sbml,import_model} no longer supports passing individual PEtab tables, but only the PEtab problem object. This functionality was deprecated since v0.12.0 (2022-08-26).
Fixes for numpy 2.0 compatibility NOTE: As long as some amici dependencies don't support numpy 2.0 yet, you may need to pin numpy to <2.0 in your requirements (pip install amici "numpy<2.0").

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.25.1...v0.25.2

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Published by dweindl almost 2 years ago

amici - AMICI v0.25.1

Fixes

Avoid clashes with sympy-entities in plot_expressions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2440
PEtab: fix KeyErrors for missing parameters in fill_in_parameters (default values are now used if only a subset of parameters is provided) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2449
CMake: Fix Intel MKL detection when not using environment modules by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2443
CMake: Fix some issues with multi-config generators by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2445

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.25.0...v0.25.1

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Published by dweindl about 2 years ago

amici - AMICI v0.25.0

This release requires Python >= 3.10.

Fixes

Fixed a bug in event handling that could lead to incorrect simulation results for models with events that assign to compartments and have additional event assignments by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2428
SBML import: handle useValuesFromTriggerTime attribute on events. This attribute was previously ignored. It is possible that now AMICI fails to import models that it previously imported successfully. For cases where useValuesFromTriggerTime=True made a difference, AMICI might have produced incorrect results before. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2429
Faster code generation for models with events if they don't have state-dependent triggers by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2417
Most warnings now come with a more informative code location by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2421
amici.ExpData was changed so that isinstance(edata, amici.ExpData) works by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2396

Features

Event-assignments to compartments are now supported. Previously, this only worked for compartments that were rate rule targets. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2425
Releases are now deployed to Docker Hub by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2413

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.24.0...v0.25.0

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Published by dweindl about 2 years ago

amici - AMICI v0.24.0

This will be the last release supporting Python 3.9. Future releases will require Python 3.10.

Fixes

Fix cmake error cannot create directory: /cmake/Amici during model import in cases where BLAS was not found via FindBLAS by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2389
Added status code AMICI_CONSTR_FAIL by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2379
Fixed certain initial state issues with PEtab by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2382
Fixed Solver operator== and copyctor (constraints were not copied correctly) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2388
Avoid confusing warnings about non-finite timepoints by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2395
Fixed incorrect exception types / messages for IDASolver by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2398
cmake: set SUNDIALS path hint for python package to help CMake find the correct SUNDIALS installation by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2397

Features

Optionally include measurements in plot_observable_trajectories by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2381
Improved type annotations in swig-wrappers by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2401
Additional attributes are accessible directly via ReturnDataView and ExpDataView, e.g. ReturnDataView.ny, ReturnDataView.nx by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2405
Allow subselection of state variables for convergence check during steady-state simulations via Model.set_steadystate_mask([1, 0, ..., 1]) (positive value: check; non-positive: don't check). by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2387

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.23.1...v0.24.0

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Published by dweindl about 2 years ago

amici - AMICI v0.23.1

Fixes

Fixes installation issues related to building SuiteSparse on some systems by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2375

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Published by dweindl about 2 years ago

amici - AMICI v0.23.0

Features

SBML InitialAssignment are no longer absorbed into other model expressions, but are available as parameters or expressions (w) in the amici model by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2304, https://github.com/AMICI-dev/AMICI/pull/2305, https://github.com/AMICI-dev/AMICI/pull/2345, https://github.com/AMICI-dev/AMICI/pull/2359
Upgraded to SuiteSparse 7.6 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2316
Model expressions w are now split into static and dynamic expressions, and only evaluated as needed by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2303
Exposed additional solver settings:
- Solver.setMaxConvFails(): maximum number of non-linear solver convergence failures
- Solver.setMaxNonlinIters(): maximum number of non-linear solver iterations
- Solver.setMaxStepSize(): maximum step size
- Solver.setConstraints(): for setting (non)negativity/positivity constraints on state variables

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2335, https://github.com/AMICI-dev/AMICI/pull/2360, https://github.com/AMICI-dev/AMICI/pull/2340 * Improved output for debugging simulation failures: ReturnData.{xdot,J} now contain the respective values from the timepoint of failure, not the last output timepoint. NaN/Inf warnings now always include the timepoint at which the issue occurred. Note that C++ stacktraces are now only logged for debug builds. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2349, https://github.com/AMICI-dev/AMICI/pull/2347, https://github.com/AMICI-dev/AMICI/pull/2366 * Updated dataframes import/export to include parameter values and scales by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2351

Fixes

CMake: Updated BLAS detection and some minor fixes by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2318 and https://github.com/AMICI-dev/AMICI/pull/2357
Deterministic ordering of source files in generated CMakeLists.txt by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2322
Fixed size check in Model::setStateIsNonNegative by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2332
Fixed uncaught C++ exception in runAmiciSimulation that may crash Python in case of invalid values for standard deviations by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2338
Fixed missing import in amici/petab/petab_import.py by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/2342
Fixed ReturnDataView AttributeError: messages by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2341
Added a missing return code constant LSETUP_FAIL by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2353
Fixed in-place building of model wheels by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2352
Made is-zero-checks compatible with the upcoming sympy>1.12 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2350
Fixed issues with paths containing blanks for sundials by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2361
Added amici.petab.conditions to the API documentation by @PaulJonasJost in https://github.com/AMICI-dev/AMICI/pull/2364
Improved type annotations in swig-wrappers by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2344, https://github.com/AMICI-dev/AMICI/pull/2365

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.22.0...v0.23.0

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Published by dweindl about 2 years ago

amici - AMICI v0.22.0

Features

PEtab import: User option to fail if model needs to be compiled by @dilpath in https://github.com/AMICI-dev/AMICI/pull/2289

The force_compile argument is now deprecated. Use compile_ instead.

Model import now adds a .gitignore file to the model output directory by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2301

Fixes

Fixed a bug that may have caused wrong simulation results for certain SBML models that contain rateOf-expressions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2291
More informative error message for ReturnDataView.by_id by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2295
Fixed ENABLE_AMICI_DEBUGGING=TRUE not working with MSVC by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2296
Fixed MANIFEST.in warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2297
(performance) Skip unnecessary toposorting in DEModel._collect_heaviside_roots by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2299
(performance) Fix redundant calls to Model::fdwdx from Model_ODE::fJ (only relevant for dense and banded solvers) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2298

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.21.2...v0.22.0

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Published by dweindl over 2 years ago

amici - AMICI v0.21.2

Bugfix release:

Fixed Solver copyctor issues with swig4.2 that resulted in installation errors by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2276
Fixed error when calling amici.ExpData() by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2280
Fixed invalid-type-error when loading an antimony model from file by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2281

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.21.1...v0.21.2

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Published by dweindl over 2 years ago

amici - AMICI v0.21.1

Fixed package configuration for PyPI upload. No further changes.

See https://github.com/AMICI-dev/AMICI/releases/tag/v0.21.0.

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Published by dweindl over 2 years ago

amici - AMICI v0.21.0

Deprecations

Moved PEtab-related functionality from amici.petab_* to the petab-subpackage amici.petab.*. The old public functions are still available but will be removed in a future release. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2205, https://github.com/AMICI-dev/AMICI/pull/2211, https://github.com/AMICI-dev/AMICI/pull/2252

Features

Handle events occurring at fixed timepoints without root-finding. This avoids event-after-reinitialization errors in many cases a brings a slight performance improvement. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2227
Added PetabProblem class for handling PEtab-defined simulation conditions, making it easier to perform customized operations based on PEtab-defined simulation conditions. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2255
code-gen: Simplified switch statements, leading to reduced file sizes and faster compilation for certain models. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2240
Made Model and ModelPtr deepcopyable by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2247
Made Solver and SolverPtr deepcopyable by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2245
Added a debugging helper get_model_for_preeq for debugging simulation issues during pre-equilibration. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2250
Added SwigPtrView fields to dir() outputs by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2244
Use proper labels for in plotting functions if IDs are available in ReturnData. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2249
Added ExpData::clear_observations to set all measurements/sigmas to NaN by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2258

Fixes

Fixed AMICI hiding all warnings. Previously, importing amici resulted in all warnings being hidden in the rest of the program. by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2243
CMake: Fixed model debug builds by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2222
Fixed CMake potentially using incorrect Python library for building model extension by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2220
CMake: fixed cxx flag check by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2225
Fixed potential out-of-bounds read in Model::checkFinite for matlab-imported models by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2232
Fixed piecewise/Heaviside handling by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2234
Deterministic order of event assignments by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2242
Proper error message in case of unsupported state-dependent sigmas by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2239
Fixed swig shadow warning + other linting issues by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2261
Fixed SwigPtrView.__getattr__ by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2259
simulate_petab: Avoid warning when simulating with default parameters by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2265

Documentation

Updated Python package installation instructions for Arch Linux by @willov in https://github.com/AMICI-dev/AMICI/pull/2212
Updated ExpData documentation by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2254
Documented simulation starting time t0 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2263
Updated PEtab example by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2255

...

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.20.0...v0.21.0

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Published by dweindl over 2 years ago

amici - AMICI v0.20.0

Fixes

Fixed CMake cmakeminimumrequired deprecation warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2183
Fixed misleading preequilibration failure messages by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2181
Removed setuptools<64 restriction by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2180
Fixed ExpData equality operator for Python by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2194
Enabled deepcopy for ExpData(View) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2196
Allowed subsetting simulation conditions in simulate_petab by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2199
Set CMake CMP0144 to prevent warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2209

Features

Possibility to evaluate and plot symbolic expressions based on simulation results by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2152
Easier access to timepoints via ExpDataView by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2193
Nicer __repr__ for ReturnDataView by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2192

Documentation

Added installation instructions for Arch Linux by @stephanmg in https://github.com/AMICI-dev/AMICI/pull/2173
Updated reference list by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2172
Installation guide: optional requirements by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2207

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.19.0...v0.20.0

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Published by dweindl over 2 years ago

amici - AMICI v0.19.0

Features * SBML import now supports rateOf by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2120 * Added Model.{get,set}SteadyStateComputationMode (analogous to SteadyStateSensitivityMode) which allows to choose how steady state is computed. by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/2074

Note: The default SteadyStateSensitivityMode changed from newtonOnly to integrateIfNewtonFails.

SBML import: Allow hardcoding of numerical values by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2134
Added antimony2amici for more convenient antimony import (simplifies working with raw ODEs, see documentation) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2142
Added AMICI_TRY_ENABLE_HDF5 environment variable to control whether to search for HDF5 or not by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2148

Fixes

Fixed SBML import for events with trigger functions depending on parameters that are initial assignment targets by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2145
Fixed SBML import for event-assigned parameters with non-float initial assignments by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2156
Fixed unistd.h dependency of hdf5.cpp that led to compilation failures on Windows by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2154
Set CMake policies for cmake 3.27 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2162
Fixed a lib/ vs lib64/ issue, leading to SUNDIALSConfig.cmake-not-found issues on some systems by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2165
CMake: fixed scope of -DHAS_BOOST_CHRONO which may have lead to a mix of boost::chrono::thread_clock and std::clock being used in programs using amici, and potentially segmentation faults by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2163

Performance

Combined code for sparse model functions and their index files for slightly faster compilation of small models by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2159
Removed complex / complex long KLU functions for slightly faster amici package installation by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2160

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.18.1...v0.19.0

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Published by dweindl almost 3 years ago

amici - AMICI v0.18.1

Fixes: * Fixed pysb pattern matching during PEtab import by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2118 * Fixed sp.Matrix errors with numpy==1.25 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2124 * Readme: added info containers by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2125 * Fixed deprecation warnings by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2122 https://github.com/AMICI-dev/AMICI/pull/2131 * Fixed logging typo in SBML import by @dilpath in https://github.com/AMICI-dev/AMICI/pull/2126 * Added minimum version for pandas by @dilpath in https://github.com/AMICI-dev/AMICI/pull/2129

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.18.0...v0.18.1

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Published by dweindl almost 3 years ago

amici - AMICI v0.18.0

Features * More efficient handling of splines in SBML models by @paulstapor, @lcontento, @dweindl in https://github.com/AMICI-dev/AMICI/pull/1515 * Partial support of current PEtab2.0 draft, including support for PySB models by @dweindl, @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1800

Fixes * Fixed incorrect forward sensitivities for models with events with state-dependent trigger functions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2084 * Model import: Don't create spl.h and sspl.h for models without splines by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2088 * SBML import - faster processing of SpeciesReference IDs by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2094 * Update swig ignores by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2098 * CMake: Fixed choosing SWIG via SWIG env variable by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2100 * CMake: Try FindBLAS if no other information was provided by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2104 * Fixed cblas error for models without solver states in combination with forward sensitivities by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2108 * Fixed compilation error for models with events and xdot=0 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2111 * Fixed import error for models with events and 0 states by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2112

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.17.1...v0.18.0

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Published by dweindl about 3 years ago

amici - AMICI v0.17.1

This release fixes two bugs:

One bug introduced in v0.17.0, that causes an ImportError on macOS (https://github.com/AMICI-dev/AMICI/issues/2075).
An AttributeError in petabimportpysb with petab>=0.2.0 https://github.com/AMICI-dev/AMICI/pull/2079

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Published by dweindl about 3 years ago

amici - AMICI v0.17.0

AMICI v0.17.0 requires Python>=3.9 and a C++17 compatible compiler

Features * DAE support in SBML by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2017 * SBML import: flatten SBML-comp models by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2063 * Added sllh computation back to petab_objective.simulate_petab by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1548 * CMake-based Python extension builds by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1992

Fixes * Fixed CPU time tracking with multi-threading (partially) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2023 * Fixed HDF5 ambiguous overload by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2031 * Fixed varying cmake libdir lib(64)/ by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2033 * Fixed Equilibration cpu time computation by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/2035 * CMake: add header files to library sources for generated models by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2047 * CMake: Handle header-dependency of swig files by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2046 * Don't try to detect conservation laws for models with Species-AssignmentRules by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2056 * Smith benchmark and SBML initialization fix by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2034 * SBML import: Fixed check for required packages by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2064 * Nan observables by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2065 * Fixed check for discontinuities for conservation law computation by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2068 * Specify visualization dependencies by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2070 * Fixed sympy symbol name clashes during PEtab import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2069 * Fixed ReturnData::{preeqwrms,posteqwrms} with FSA and checksensisteadystateconv=True by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2071

Extended / updated documentation, for example: * Jax example notebook by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1996 * Updated Windows/MSVC installation instructions by @Podde1 in https://github.com/AMICI-dev/AMICI/pull/2053

New Contributors * @Podde1 made their first contribution in https://github.com/AMICI-dev/AMICI/pull/2053

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.16.1...v0.17.0

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Published by dweindl about 3 years ago

amici - AMICI v0.16.1

Fixes: * Additional package names for finding blas via pkg-config by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1959 * Changed default interpolation type from hermite to polynomial by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1960 * PySB import: Change default simplify to work with multiprocessing by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1961 * Add --no-validate to amiciimportpetab by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1963 * Fix getmodel for direct import of swig interface by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1969 * Fix PytestReturnNotNoneWarning in testconservedquantitiesdemartino.py by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1968 * Fix MSVC builds / remove -W* flags by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1972 * Add option to use IDs when plotting trajectories by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1974 * Fix assignmentRules2observables - skip non-assignment-rule targets by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1973 * Use std::clock for measuring solver time by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1982 (Note that this uses cpu-time consumed by all threads) * Fix narrowing-conversion-warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1983 * PEtab import: allow specifying default values for output parameters by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1987 * Print stacktraces only with debug logging level by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1985 * Change default ReturnData::status to AMICINOTRUN by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1984 * Reduce time-tracking overhead by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1988 * Fix equilibraton status discrepancy by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/1991 * Pass modelname to _createmodeloutputdirname by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1994 * CMake: Build with OpenMP support if available by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2000 * Fix SuiteSparse Makefiles for compiler-paths by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2003 * CMake: Build with HDF5 support if available by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1999 * CMake: Fix reading version file on Windows by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2001 * CMake: raise minimum required version to 3.15 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2002 * Fix/extend runtime logging by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2005 * Fix error logging in steadystate solver by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2008 * Don't pass -py3 to swig after 4.1.0 by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2010 * SWIG _repr__s for different templated vector classes by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/2009 * Matlab: If mex fails, print mex arguments by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2013 * Simplify OpenBLAS installation on Windows by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2016 * Remove model name prefix in generated model files by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2015 * ...

Documentation: * Restructure sphinx doc by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1978 * Instructions for AMICI with singularity by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1964 * Illustrate options for potentially speeding up model import/simulation by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1965 * ...

Dependencies: * Updated SuiteSparse to v7.0.1 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/2018

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.16.0...v0.16.1

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Published by dweindl over 3 years ago

amici - AMICI v0.16.0

Features * Python 3.11 compatibility by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1876 * AMICI now runs on binder (example) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1935, https://github.com/AMICI-dev/AMICI/pull/1937, https://github.com/AMICI-dev/AMICI/pull/1939 * More informative Solver.__repr__ and ExpData.__repr__ by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1928 and @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1948 * simulate_petab returns the generated/used ExpDatas by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1933 * Model module is now accessible from model instance by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1932 * Added plot_jacobian by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1930 * Now logs all nested execution times as debug by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1947 * Always check for finite initial states, not only with Model.setAlwaysCheckFinite(True) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1955

Fixes * ReturnDataView.status now returns int instead of float by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1929 * Updated simulation status codes by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1931 * Skip irrelevant frames in stacktraces by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1934 * Fixed compiler warning (matlab) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1954

Documentation: * Added a notebook demonstrating common simulation failures and show how to analyze / fix them by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1946 * various minor fixes / updates

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.15.0...v0.16.0

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Published by dweindl over 3 years ago

amici - AMICI v0.15.0

Features * Improved logging by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1907

For Python: Don't print messages to stdout, but collect them in ReturnData and forward them to python logging, making it easier to filter specific messages or to disable output completely. Messages are also available via ReturnData.messages.

breaking change for C++ interface: Messages aren't printed to stdout by default, but are collected in ReturnData. The user has to decide what to do with them.

MultiArch docker build by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1903
Added cmake target for cmake-format by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1909
Updated clang-format style, fixed clang-format target by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1908
Subsetting ReturnData fields by ID via ReturnDataView.by_id by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1911 https://github.com/AMICI-dev/AMICI/pull/1916

Fixes * PEtab import: fixed handling of fixed parameters for rule targets by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1915 * Fixed compiler warnings for matlab interface by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1919 * Fixed pandas DeprecationWarning for Series.iteritems() by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1921 * Fixed circular import in amici.petabimportpysb by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1922 * Fixed 'operator ==' swig warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1923 * Prevent swig4.0.1 segfault by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1924

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.14.0...v0.15.0

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Published by dweindl over 3 years ago

amici - AMICI v0.14.0

Features:

Added optional functionality to apply C99 math optimization to generated C++ code by @dweindl and @lcontento in https://github.com/AMICI-dev/AMICI/pull/1377, https://github.com/AMICI-dev/AMICI/pull/1878
Added option to treat fixed parameters as constants in PEtab import

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1877

Added equality operator for ExpData

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1881

Updated base image for Dockerfile to Ubuntu 22.04/Python 3.10

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1896

Fixes:

Fixed deprecation warnings by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1873, https://github.com/AMICI-dev/AMICI/pull/1893
Fixes/updates to GitHub actions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1885, https://github.com/AMICI-dev/AMICI/pull/1893, https://github.com/AMICI-dev/AMICI/pull/1889, https://github.com/AMICI-dev/AMICI/pull/1891
Added hdf5 search directories for arm64 architecture (M1/M2 macs)

by @Doresic in https://github.com/AMICI-dev/AMICI/pull/1894

Fixed missing return in generated non-void functions

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1892

Fixed import failure for pre-compiled models

by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1897

Documentation:

Update reference list by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1874, https://github.com/AMICI-dev/AMICI/pull/1884

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.13.0...v0.14.0

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Published by FFroehlich over 3 years ago

amici - AMICI v0.13.0

Fixed extraction of common subexpressions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1865
Added function to convert ReturnData::status flags to string by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1864

And further contributions by @dweindl, @FFroehlich

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.12.0...v0.13.0

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Published by dweindl over 3 years ago

amici - AMICI v0.12.0

Features: * Support for event observables via the Python interface by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1845 * Treat non-estimated parameters as constants during SBML-PEtab import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1810 * Updated SUNDIALS to v5.8.0 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1836 * Option to extract common subexpressions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1852, https://github.com/AMICI-dev/AMICI/pull/1856 * Parallelize matrix simplification by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1778 * Validate PEtab problems before attempting import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1842 * Improved type annotations for the swig interface by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1860

Fixes: * Fixed an issue with potentially infinite loops during conservation law processing by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1833 * Fixed potential deadlocks during parallel simplification by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1844 * Fix resetting ReturnData::numstepsB when re-using Solver by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1841

And further contributions by @dilpath, @dweindl, @FFroehlich

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.32...v0.12.0

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Published by dweindl almost 4 years ago

amici - AMICI v0.11.32

Fixes: * Fixed ImportErrors during package installation with recent setuptools by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1830

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Published by dweindl almost 4 years ago

amici - AMICI v0.11.31

Fixes: * Fixed ParameterMapping.__getitem__ to either return a ParameterMappingForCondition or a new ParameterMapping, but not a list by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1826

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.30...v0.11.31

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Published by dweindl almost 4 years ago

amici - AMICI v0.11.30

Features: * Allow overriding model name during PySB import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1801 * Added repr for parameter mapping classes by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1799 * More informative warning messages for NaNs/Infs by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1798 * Moved sim_steps increment by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/1806 * Re-arranged application of parameters from ExpData to avoid initial sensitivities error by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1805 * Checking for unused parameters in simulate_petab by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1816 * Add create_parameter_mapping kwarg forwarding by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1820

Other * Remove constant_species_to_parameters by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1809

Fixes * Fixed handling of SBML models given as pathlib.Path in petab_import.import_model_sbml by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1808 * Fixed missing CPU time reset by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1814 * Raise insimulatepetabwithscaledparameters=Trueproblem_parameters=None` by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1819

...

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.29...v0.11.30

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Published by dweindl almost 4 years ago

amici - AMICI v0.11.29

Features: * Performance: Limit newton step convergence check by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1780 * More informative NaN/Inf warnings by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1640 * SBML import can now handle initial events by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1789

Fixes: * Avoid error if no measurements in PEtab problem; fixed type handling in PEtab parameter mapping by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1783 * Fixed substitution of expressions in root and stau by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1784 * Workaround for PEtab problems with state-dependent noise models by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1791

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Published by dweindl about 4 years ago

amici - AMICI v0.11.28

New features: * Added Solver.setSteadyStateToleranceFactor and Solver.setSteadyStateSensiToleranceFactor to specify a steady state tolerance factor by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1758 NOTE: This also relaxes the default steady state (sensitivity) tolerances by a factor of 100. * Added support for pathlib.Path by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1769 * Allow specifying initial timepoint with ExpData by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1776

Performance: * Speedup for models with conservation laws by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1765 * Improved efficiency of newton step convergence check by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1775

Fixes: * Fixed deprecation warning for pandas.DataFrame.append in rdatas_to_measurement_df by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1770 * Fixed Rule-target handling in PEtab import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1753

Removed functionality: * Removed long deprecated sbml2amici arguments modelName and constantParameters by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1774

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Published by dweindl about 4 years ago

amici - AMICI v0.11.27

New features: * Checking condition number when computing sensitivities via Newton by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1730 * Removed SPBCG solver by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1729 * Added Newton step convergence checks to steadystate solver by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1737 * Removed legacy options/members amioption.newton_preeq and Solver::r… by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1744 * AddedReturnData::cputimetotalto track total time spent inrunAmiciSimulationby @dweindl in https://github.com/AMICI-dev/AMICI/pull/1743 * SBML import: Alternative algorithm for identifying conservation laws by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1748 * Useamici.AmiciVersionError` to indicate version mismatch by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1764

Performance: * Optional parallel computation of derivatives during model import by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1740 * Sparsify jacobian by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1766 * Speedup conservation law computation by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1754 * Exploit stoichiometric matrix in pysb import by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1761 * Speedup edata construction from petab problems by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1746

Fixes: * Fixed get_model_settings that would to setting incorrect initial states and initial state sensitivities for models with parameter-dependent initial states by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1751 * Use correct tolerances for convergence check in Newton solver by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1728 * Harmonized convergence checks by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1731 * Made sundials' KLU_INDEXTYPE match actual klu index type by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1733 * Fixed Model::setStateIsNonNegative logic that would raise exceptions in cases where it shouldn't by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1736 * Fixed undefined reference to dladdr by @kristianmeyerr in https://github.com/AMICI-dev/AMICI/pull/1738 * Fixed HDF5 OSX intermediate group creation errors by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1741 * Fixed recent cmake-based build issues due to changed sundials library directory by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1756 * Updated Windows installation instructions by @paulflang in https://github.com/AMICI-dev/AMICI/pull/1763

... and other contributions by @FFroehlich, @dweindl

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.26...v0.11.27

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Published by dweindl about 4 years ago

amici - AMICI v0.11.26

New features: * Import of BioNetGenLanguage (BNGL) models by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1709 * Added support for observable-dependent sigmas by @dweindl, @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1692 * Added support for pysb local functions by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1666 * Added experimental support for conservation laws for non-constant species to SBML import: conservation laws for non-constant species by @stephanmg, @dweindl in https://github.com/AMICI-dev/AMICI/pull/1669 Enable this feature by setting environment variable AMICI_EXPERIMENTAL_SBML_NONCONST_CLS to any value * Allow using states eliminated by conservation laws to be used in root functions by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1677 * Added support for parameter-dependent conservation laws by @dweindl, @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1678 * Added optional caching for symbolic simplifications in ODE export by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1672 * Added CLI option --no-sensitivities to amici_import_petab by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1688

Fixes: * SBML import: Raise in case of nested observables by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1690 * Sympy 1.10 compatibility by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1694

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.25...v0.11.26

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Published by dweindl about 4 years ago

amici - AMICI v0.11.25

Fixed a bug where Model::setStateIsNonNegative(Model::getStateIsNonNegative()) would raise an exception in case conservation laws were enabled - by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1648
Fixed a bug where Model::setStateIsNonNegative would be ignored in certain model expressions - by @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1650
Fixed a bug where special function parsing inside min() and max() would not be parsed correctly - by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1655
Fixed a numpy dependency issues for Mac+ARM systems - by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1657
Fixed convergence check in Newton method - by @plakrisenko in https://github.com/AMICI-dev/AMICI/pull/1663
Add AMICI_CXX_OPTIONS to pass libamici-specific compiler options during CMake-based builds - by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1664
Fixed various warnings and updated documentation - by @dweindl

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.24...v0.11.25

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Published by dweindl over 4 years ago

amici - AMICI v0.11.24

Features: * Introduced environment variable AMICI_DLL_DIRS to control DLL directories on Windows (useful for setting BLAS library directory, as required by Python>=3.8) by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1637 * Dropped Python3.7 support by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1635 * Include header files in CMake targets for better IDE integration by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1639

Fixes: * Fixed an issue in PEtab import where all-integer parameters would previously result in a TypeError by @stephanmg in https://github.com/AMICI-dev/AMICI/pull/1634 * Fixed tempdir deletion issues for test suite on Windows by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1636 * Added functions to provide state IDs/names for x_solver by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1638 * Fixed docs on RTD by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1643

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.23...v0.11.24

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Published by dweindl over 4 years ago

amici - AMICI v0.11.23

Features: * Added overload for Model::setParameterScale with vector by @dilpath in https://github.com/AMICI-dev/AMICI/pull/1614 * Removed assertfun argument from gradient checking, improve output by @dweindl, @FFroehlich in https://github.com/AMICI-dev/AMICI/pull/1609 * Added getexpressionsasdataframe by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1621 * Added id field to ExpData and ReturnData by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1622 * Included condition id in dataframes by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1623

Fixes: * C++: Fixed SUNMatrixWrapper ctor for size 0 matrices by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1608 * Python: Handle TemporaryDirectory cleanup failures on Windows by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1617 * Python: pysb.Model.initial_conditions throws a DeprecationWarning by @PaulJonasJost in https://github.com/AMICI-dev/AMICI/pull/1620 * Fixed wrong array size in warnings by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1624

NOTE: AMICI 0.11.23 requires numpy<1.22.0

NOTE: This is the last release supporting Python 3.7

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.22...v0.11.23

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Published by dweindl over 4 years ago

amici - AMICI v0.11.22

Require sympy>=1.9,pysb>=1.13.1 by @FFroehlich, @dweindl in https://github.com/AMICI-dev/AMICI/pull/1599
Fixed sympy deprecation warning by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1600
Updated Windows installation instructions for Python>=3.8 by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1597
Fixed plot labels by @dweindl in https://github.com/AMICI-dev/AMICI/pull/1598

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.21...v0.11.22

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Published by dweindl over 4 years ago

amici - AMICI v0.11.21

Fixes: * Fixed a bug in recursion depth computation for model expressions. This may have resulted in incorrect sensitivities for models with expressions nested more than 2 levels. (#1595) * Fixed improper handling of Piecewise functions in PySB import which may have produced incorrect simulation results. (#1594) * Fixed changed googletest reference which broke the CMake-based build if tests were enabled (#1592)

New: * It's now possible to build AMICI using Ninja (#1593)

Full Changelog: https://github.com/AMICI-dev/AMICI/compare/v0.11.20...v0.11.21

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Published by dweindl over 4 years ago

amici - AMICI v0.11.20

New: * Changed parameter mappings such that unassigned values have non-nan default values. This fixes erroneous evaluation of llh as NaN in some situations (#1574) * Added support for Python 3.10 (#1555)

Fixes: * Fixed a bug when simulation start time was not transferred when copying a solver instance (#1573) * Fixed a bug which led to incorrect sensitivies for models with multiple assignment rules or rate rules (#1584)

Other: * Update CI and documentation settings (#1569, #1527, #1572, #1575, #1579, #1580, #1589, #1581) * Extend set of validated benchmark models that is checked during CI (#1571, #1577) * Fixed string formatting in derivative checks (#1585) * Added helper methods to save and restore model instance-only settings (#1576)

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Published by dweindl over 4 years ago

amici - AMICI v0.11.19

New: * Added support for observable transformations (lin/log/log10) (#1567). Thereby supporting additional noise distributions in combination with least squares solvers.

Fixes: * Fixed a bug when Newton sensitivity computation was activated despite specifying newtonsteps == 0. The error occurs when simulation converges to a steadystate but simulation sensitivities are not converged according to convergence criteria. In that case simulation returned failure, but the newton rootfinding "finds" a steadystate even before the iteration check, leading to the erroneous computation of sensitivities via Newton/IFT. For singular jacobians this means the overall simulation still fails, but a different, more informative error message is displayed. (#1541) * Fixed a bug where argument outdir in `ODEExporter.init_` would not be used (#1543)

Other: * Improve checking support for SBML extensions (#1546) * SBML import: Use more descriptive IDs for flux expressions (#1551) * Optimized SUNMatrixWrapper functions (#1538) * C++: Changed test suite from CppUTest to gtest (#1532) * Add CITATION.cff (#1559) * Updated documentation (#1563, #1554, #1536) * Removed distutils dependency (#1557) * Require sympy<1.9

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Published by dweindl over 4 years ago

amici - AMICI v0.11.18

New: * Allow specifying maximum integration time via amici::Solver::setMaxTime() (#1530) * Py: Add failfast and num_threads argument to simulate_petab (#1528, #1524) * Enable typehints / static type checking for AMICI-generated model modules (#1514) (amici.ModelModule, available with Python>=3.8)

Fixes: * Python: Fix unused argument generate_sensitivity_code in pysb2amici (#1526) * Python: Fix C(++) stdout redirection which could have let to deadlocks in exotic situations (#1529) * Py: Fixed deprecation warning (#1525) * Py: Proper typehints for SWIG interface (#1523), enabling better static type checking and IDE integration (available with Python>=3.9) * C++: Fixed clang compiler warning (#1521) * C++: Fix inherited variadic ctor in exception class (#1520) * PEtab: More informative output for unhandled species overrides (#1519) * Return SbmlImporter from PEtab model import (#1517)

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Published by dweindl almost 5 years ago

amici - AMICI v0.11.17

Fixes: * Fix "maybe-uninitialized" compiler warning (#1495) * Fix substitution of expressions in drootdt_total (#1512) * C++: Fix serialization and == operator (#1493) * C++: Avoidwinrootandstau` headers (refactor) (#1503)

Documentation: * Updated OpenBLAS Windows installation instructions (#1496) * Updated how-to-cite to Bioinformatics paper (#1499) * Updated list of papers using AMICI (#1509)

Other: * Remove sllh computation from petab_objective.simulate_petab (#1498) * Add main.py to Python package to provide info on AMICI installation via python -m amici (#1500)

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Published by dweindl about 5 years ago

amici - AMICI v0.11.16

Fixes: * Fixed serialization bug (#1490)

New: * Construction of condition specific plist for parameter mappings (#1487, #1488) * Add support for error residuals (#1489)

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Published by FFroehlich about 5 years ago

amici - AMICI v0.11.15

Fixes: * Fixed initial state sensitivities in adjoint preequilibration (#1468) * Fixed various model import / parameter mapping issues (#1469, #1473, #1475)

New: * New AMICI releases will automatically trigger releases at https://biosimulators.org/simulators/amici/latest * Transparent logo

- C++
Published by dweindl about 5 years ago

amici - AMICI v0.11.14

New features: * Python model import now supports SBML Events (#1443) * Implement support for compilation without sensitivities (#1454)

Fixes: * Issue #1446: Check whether constant parameters are valid targets (#1450) * Issue #1422: Fix Steadystate solver failing if preequilibration starts in steadystate (#1461) * Issue #1401: Ensure diagnostics variables in ReturnData are always of expected length (#1438, #1447) * Fix FIM approximation for parameter dependent sigma (#1441) * Fix invalid SBML in PEtab/PySB import (#1433) * Fix: No context for inspect.getouterframes (#1432)

Documentation: * Added this CHANGELOG * Added feature request issue template (#1437) * Updated reference list (#1430) * Overhauled experimental conditions notebook (#1460)

CI: * Test Matlab interface on GHA (#1451) * Include componentTags in SBML test suite output (#1462) * Split SBML semantic test suite into multiple jobs (#1452) * Fix Crauste ref val, fixes #1458 (#1459)

Misc: * Various cleanup (#1465, #1448, #1455) * Optimize SUNMatrixWrapper::transpose (#1439) * Remove constant triggers from roots in Heaviside (#1440)

- C++
Published by dweindl about 5 years ago

amici - AMICI v0.11.13

Breaking changes: * AMICI requires Python>=3.7 * Updated package installation (PEP517/518): Creating source distributions requires https://github.com/pypa/build (#1384) (but now handles all package building dependencies properly)

Features: * More flexible state reinitialization (#1417)

Updated dependencies: * Upgrade to sundials 5.7.0 (#1392)

Fixes: * Python: account for heaviside functions in expressions (#1382) * Python: allow loading of existing models in importpetabproblem (#1383) * Python: Don't override user-provided compiler/linker flags (#1389) * Python: PEtab import reinitialization fixes (#1417) * Python: Fix PEtab observables for pysb models (#1390) * Python: Substitute expressions in event condition expressions (#1404) * Python: Unspecified initial states in PEtab conditions table default to SBML initial value (#1397) * C++: Fix timepoint out of bounds access (#1402) * C++: Fix exported CMake config (#1388) * Fixed Dockerfile: add python3-venv (#1398, #1408)

Other: * Slim exported swig interface (#1425) * Updated documentation * Getting started tutorial (#1423) * List supported SBML test tags (#1428) * Add AMICI C++/Python/Matlab feature comparison (#1409) * ... * Various minor CI improvements * ...

- C++
Published by dweindl over 5 years ago

amici - AMICI v0.11.12

Features: * Add expression IDs and names to generated models (#1374)

Fixes: * Raise minimum sympy version to 1.7.1 (Closes #1367) * Fix species assignment rules in reactions (#1372) * Fix id vector for DAEs (#1376)

Docs: * Update how-to-cite (#1378)

- C++
Published by dweindl over 5 years ago

amici - AMICI v0.11.11

Python

Restore support for species references (#1358)
Add support for noise models in pysb (#1360)
Proper handling of discontinuities in the ODE rhs (#1352)
Fix directly calling AMICI from snakemake (#1348 )
Extend mathml function support, particularly for numerical arguments (#1357)
Restore support for sympy 1.6 (#1356)

C++

Fix some compiler related warnings (#1349, #1362 )
Fix a rare segfault for adjoint sensitivities (#1351)

CI

Move windows tests to GHA (#1354)
Pin breathe to 4.24.1

Docker

Update ubuntu to 20.04

- C++
Published by FFroehlich over 5 years ago

amici - AMICI v0.11.10

Bugfix release that restores compatibility with sympy 1.7

- C++
Published by FFroehlich over 5 years ago

amici - AMICI v0.11.9

Python

General improvements to SBML import (#1312, #1316, #1315, #1322 , #1324 #1333, #1329)
Small bugfixes and improvements (#1321 )
Improve derivative computation for instances of power (#1320 )

C++

Fix FIM and residual computation for models with parameter dependent sigma. (#1338)
Disable chi2/residual/FIM computation for non-gaussian objective functions. (#1338)
Bugfix for integration failure during adjoint solve (#1327)

Doc

Update references (#1331, #1336)

CI

Update OpenBLAS for windows (#1334)

- C++
Published by FFroehlich over 5 years ago

amici - AMICI v0.11.8

Python

Fix pysb-petab support (#1288)
Fix ExpData constructor overloading (#1299)
Fix support for positivity enforcement (#1306)
Refactor SBML import, adds support for parameter rate rules and initial assignments (#1284, #1296, #1304)
Improve model generation for models with many parameters (#1300)
Add support for PEtab based synthetic data generation (#1283)

C++

Make HDF5 an optional dependency (#1285)

Doc

General Improvements to Documentation (#1289, #1291, #1292, #1293, #1294, #1286, #1277, #1281)

CI

Add python 3.9 support test (#1282)
Allow manual triggering of GitHub actions (#1287)
Remove appveyor config (#1295)
Update GHA env and path management (#1302)

- C++
Published by FFroehlich over 5 years ago

amici - AMICI v0.11.7

Python

Improve and extend available objective functions (#1235)
Fix processing of compartment definitions (#1223)
Fix replacement of reserved symbols (#1265)
Use Hierarchical Derivatives for Expressions (#1224, #1246)
Fix duplicate running of swig (#1216)
Overload python interface functions for amici.{Model,Solver,ExpData} and amici.{Model,Solver,ExpData}Ptr (#1271)

C++

Fix and extend use of sparse matrix operations (#1230, #1240, #1244, #1247, #1271)
Fix application of maximal number of steps, MaxNumStep parameter now limit total number of steps, not number of steps between output times. (#1267)

Doc

Move all Documentation to RTD (#1229, #1241)
General Improvements to Documentation (#1225, #1227, #1219, #1228, #1232, #1233, #1234, #1237, #1238, #1239, #1243, #1253, #1255, #1262)

CI

Better check for doc building (#1226)
Add more gradient checks (#1213)
Update GHA to Ubuntu 20.04 (#1268)

- C++
Published by FFroehlich over 5 years ago

amici - AMICI v0.11.6

Python

Bugfix for piecewise functions (#1199)
Refactor swigging - generate one single wrapper (#1213)

C++

Fix warnings: account for zero indexing in nan/inf error (#1112)

Doc

Update Windows build instructions (#1200, #1202)
Update README: Projects using AMICI (#1209)
Add CODEOFCONDUCT.md (#1210)
Update documentation for Python interface (#1208)

CI

Create sdist on GHA using swig4.0.1 (#1204) (Fixing broken pypi package)
Fix links after repository move
Speed-up swig build: disable all languages except python (#1211)
Fix doc generation on readthedocs (#1196)

- C++
Published by dweindl almost 6 years ago

amici - AMICI v0.11.5

General

Move repo to new organization (#1193)
Update Bibliography

Python

Fix bug for energyPySB models (#1191)

CI

Fix release deployment (#1189)

- C++
Published by FFroehlich almost 6 years ago

amici - AMICI v0.11.4

Python

Skip unnecessary expressions in pysb models (#1185)
MSVC compiler support (this time for real... #1152)

CI

Implement MSVC tests (#1152)
Rename and group GitHub actions (#1186)
Fix release deployment (#1186)

- C++
Published by FFroehlich almost 6 years ago

amici - AMICI v0.11.3

Python

Fix simplification for pysb models (#1168)
Pass verbosity flags to pysb network generation (#1173)
Enable experimental pysb-petab support (#1175)
Add installation instructions for Fedora (#1177)
Implement support for SBML rate-references (#1180)

C++

Refactoring (#1162, #1163)

CI

Move majority of tests to Github Actions (#1166, #1160)
Improve reporting of skipped tests in SBML testsuite (#1183)

- C++
Published by FFroehlich almost 6 years ago

amici - AMICI v0.11.2

Python

Speed up model import, compilation (#1123, #1112)
Improve/Add steady-state solver documentation (#1102)
Improve extension import (#1141)
Bugfixes SBML import (#1135, #1134, #1145, #1154)
Fixed issue that prevented simplification (#1158)

C++

Bugfixes (#1121, #1125, #1131, #1132, #1136)
Enable openMP by default (#1118)
Improve memoy footprint for simulations with replicates (#1153)
Improve steady-state solver and add option to to adjoint-steadystate hybrid (#1143, #1099, #1129, #1146)

CI

Store build artifacts from github actions (#1138)

- C++
Published by FFroehlich almost 6 years ago

amici - AMICI v0.11.1

Python

Upgrade to sympy 1.6.0, which is now required minimum version (#1098, #1103)
Speed up model import
- Speed-up computation of sx0, reduce file size (#1109)
- Replace terribly slow sympy.MutableDenseMatrix.iszeromatrix by custom implementation (#1104)
speedup dataframe creation in get*AsDataFrame (#1088)
Allow caching edatas for simulate_petab (#1106)
Fix wrong deprecation warning (Fixes #1093)
Fix segmentation faults in NewtonSolver under certain conditions (#1089, #1090, #1097)
fix wrong power function call in unscale_parameter (#1094)
Fix MathML conversion (#1086)
Fix deepcopy of SymPy objects (#1091)

Matlab

handle empty rdata->{pre|post}eq_numlinsteps (Closes #1113), which previously made the matlab interface unusable
Fix generation of compileMexFile.m for matlab compilation of python code (#1115)

C++

Reduce memory requirements and speedup compilation of large models (#1105)
Place generated code into own namespace (#937) (#1112)
Fix several msvc compiler warnings (#1116) (Note that MSVC support is still experimental) breaking change for users of C++ interface
Fix swig warning: ensure base class ContextManager is known before use (Fixes #1092) (#1101)

CI

Don't install/run valgrind on travis CI (done with github actions… (#1111)

- C++
Published by dweindl almost 6 years ago

amici - AMICI v0.11.0

Python:

Implement support for variable compartments (#1036)
Better handling of constant species (#1047)
Better handling of C++ enums, this makes amici.SensitivityMethod_forward available as amici.SensitivityMethod.forward (#1042)
Improve installation routines (#1055, #1056, #1058, #1076)
Add option to reduce memory usage (#1044)
Fix handling of symbolic expressions in nested rules (#1081, 1069)

Library:

Update Sundials to 5.2.0 (#1039)
Update SuiteSparse to 5.4.0 (#1040)
Refactor use of ReturnData, now completely created post-hoc (#1002)
Fix propagation of reinitialization in ExpData constructor (#1041)
Fix issue where InternalSensitivityParameter was sometimes not set (#1075)
Fix or disable certain combinations of equilibraition, presimulation and adjoint sensitivity analysis

CI:

Move from Codacy to Sonarcloud (#1065)
Run SBML Testsuite when appropriate (#1058)

- C++
Published by FFroehlich about 6 years ago

amici - AMICI v0.10.21

Library: * Fix: Handle paths with blanks in build scripts * Feature: Add function to write amici::Solver settings to HDF5 (#1023) * Fix: typehints (#1018, #1022) * Refactor: Move creation of parameter mapping for objective<->simulation to classes (#1020)

CI: * Refactor: Cleanup and reorganize tests (#1026) * Fix: benchmark problem test should fail on missing files (Closes #1015)

- C++
Published by dweindl about 6 years ago

amici - AMICI v0.10.20

Fixed (re)initialization of sensitivities if ExpData::fixedParametersPreequilibration is set (#994)
Fixed sensitivities for parameters in sigma expressions for Python/SBML in case provided expression was not just a single parameter ID
Enable parallel compilation of model files from Python (#997) based on AMICIPARALLELCOMPILE enviroment variable
Fixed computation of log-likelihood for log10-normal distributed noise
Added reinitializeFixedParameterInitialStates to ExpData (#1000) (breaking change: overrides settings in amici::Model)
Python model import now verifies that chosen model name is a valid identifier (Closes #928)
Made w available in ReturnData (Closes #990) (#992)
Fixed setting of log level when passing boolean values to verbose (#991)
Documentation now on ReadTheDocs https://amici.readthedocs.io/en/
Use proper state/observable names in plotting functions (#979)
PEtab support:
- Adapt to most recent PEtab (0.1.5)
- Extended support for import of PEtab models
- Added support for computing cost function based on PEtab problem
- Implemented handling of species in condition table
- petabimport.importmodel now provides reproducible parameter list (Closes #976)
- Fix python import error in importpetabproblem: Add absolute paths to python path, invalidate caches and reload (#970)
- Added example notebook
CI: PEtab test suite integrated in CI workflow
Added AMICI dockerfile and image deployment to dockerhub (#948)
Removed mention of 'mex' in warning/error ids (#968)
More informative errors on SWIG interface import failures (#959)

- C++
Published by dweindl about 6 years ago

amici - AMICI v0.10.19

Python: * Fix logo display on pypi * Fix deadlocks in multithreaded python environments when using openMP parallelization

Matlab: * Fix compilation errors due to switch to C++14

- C++
Published by FFroehlich over 6 years ago

amici - AMICI v0.10.18

General: * AMICI now comes with a logo * implement getName function for models * Updated documentation / examples

Python: * Enable MSVC compilation of Python extensions (#847) * Always recompile clibs and extensions (Closes #700) * Extended PEtab support (Running * enable multithreading in swig (#938) * Fixes pysb (#902) (#907)

C++ * Build optimized AMICI and sundials by default (Closes #934)

Matlab: * Fix(matlab) Compile CalcMD5 on demand (Fixes #914) * Don't pass empty include strings to mex * Fix Matlab compilation error if AMICI or model path contains blanks

CI: * Running additional test models

... and various minor fixes/updates

- C++
Published by dweindl over 6 years ago

amici - AMICI V0.10.17

added python 3.8 support, dropped python 3.6 support (#898)
Added logging functionality (#900)
Fixes PySB import (#879, #902)
Fixes symbolic processing (#899)
Improved build scripts (#894,
Improved petab support (#886, #888, #891)
CI related fixes (#865, #896)

- C++
Published by FFroehlich over 6 years ago

amici - AMICI v0.10.16

Sparsify dwdp to reduce computation time for adjoints (#858)
Fix(matlab) update example name exampledaeevents->example_calvetti (Closes #866)
Fix nullptr deferencing for simulations with events when no measurements are provided (Fixes #866)
Fix accessing empty vector during adjoint state event update (Closes #866)
Fix pysb_import (fixes #878)

- C++
Published by dweindl over 6 years ago

amici - AMICI v0.10.15

Bugfix release due to incorrect sensitivities w.r.t. sigmas introduced in 0.10.14.

No other changes.

- C++
Published by dweindl over 6 years ago

amici - AMICI v0.10.14

NOTE: For Python-imported SBML-models this release may compute incorrect sensitivities w.r.t. sigma. Bug introduced in 0.10.14, fixed in 0.10.15.

Python:

Don't require use of ModelPtr.get to call ExpData(Model)
Fix import in generated model Python package
Setup AMICI standalone scripts as setuptools entrypoints
Simplify symbolic sensitivity expressions during Python SBML import Fixes Infs in the Jacobian when using Hill-functions with states of 0.0.
Extended Newton solver #848
The changes that allow performing Newton tests from the paper:
G. T. Lines, Ł. Paszkowski, L. Schmiester, D. Weindl, P. Stapor, and J. Hasenauer. Efficient computation of steady states in large-scale ODE models of biochemical reaction networks. accepted for Proceedings of the 8th IFAC Conference on Foundations of Systems Biology in Engineering (FOSBE), Valencia, Spain, October 2019.
Use SWIG>=4.0 on travis to include PyDoc in sdist / pypi package (#841)
Fix choice of likelihood formula; failed if observable names were not equal to observable IDs
Fix(sbml-import) Compartment IDs in right-hand side of Rules are not replaced and lead to undefined identifiers in c++ files
Fix invalid logging level
Speed up sympy simplification (#871)

C++:

Performance: Avoid unnecessary repeated function calls for SUNMatrixWrapper dimensions
Add AmiciApplication class as context for handling so far global settings. This allows for example setting custom logging functions for concurrent AMICI runs, e.g. in multi-thread applications (Closes #576).

Misc:

Setup performance test on github actions (#853)
Update documentation and FAQ for CBLAS requirement and others
Update reference list

- C++
Published by dweindl over 6 years ago

amici - AMICI v0.10.13

BREAKING CHANGE: Renaming {get|set}tNewtonPreequilibration to {get|set}Preequilibration (Closes #720)
Make wurlitzer non-optional requirement for AMICI python package (Fixes missing AMICI errors when running from jupyter notebooks)
Compute initial state for Model::getInitialStates if not already set (Fixes #818)
Make swig generate pydoc comments from doxygen comments #830 (Closes #745) to provide Python docstrings for C++ wrapper functions
feature(cmake) Add option to disable compiler optimizations for wrapfunctions.cpp (Fixes #828) (#829)
Change SBML test suite to pytest to allow for parallel test execution… (#824)
Fix(cmake): -E option is not available in all sed versions. Neither is the equivalent -r. Use --regexp-extended instead (Closes #826)
Refactor(python) Move PEtab import code from command line script… (#825)
Fix(core) Fix regular expressions for intel compiler (Closes #754) (#822)
Update workflow figure to include PySB (Closes #799)
Fix compiler warnings

- C++
Published by dweindl over 6 years ago

amici - AMICI v0.10.12

Fix handling of species specified in PEtab condition table (#813)
Fix some Visual C++ issues, update cppcheck handling, cleanup (VisualC++ still not fully supported)
Minor fixups (#801)
Create SBML test suite result files for upload to http://sbml.org/Facilities/Database/ (#798)

- C++
Published by dweindl over 6 years ago

amici - AMICI v0.10.11

Fixed setting initial conditions for preequilibration (#784)
Fixed species->parameter conversion during PEtab import (#782)
Set correct Matlab include directories in CMake (#793)
Extended and updated documentation (#785, #787)
Fix various SBML import issues
Run SBML test suite using github actions instead of travisCI (#789)

- C++
Published by dweindl almost 7 years ago

amici - AMICI v0.10.10

Simplify/fix AMICI installation
- If available use environment modules to detect dependencies
- Add SWIG installation script
Update list of publication
Update documentation
- Update doc for SWIG build and custom SWIG location.
- Add AMICI interface overview / workflow figure and show in README
- Document environment variables for model/core compilation (Closes #737)
Added handling of abs function, since there seem to be problems with case sensitivity (#713) Closes #770

Detaills: * cmake: Use packageROOT environment variables * fix(cmake) Fix finding version.txt * cmake: Auto-detect loaded MKL environment module * cmake: Use new FindPython3 modules where possible * fix(python) Restore python3.6 compatibility * Inside venv, use pip instead of pip3 which should point to the correct version * fix(python) Workaround for missing ensurepip during venv creation [ci skip] * feature(python) Use MKL from environment modules to provide cblas * fix(python) Fix definemacros not being passed to setuptools for Extension * fix(python) Fix definemacros not being passed to setuptools for clibs * Do not always add 'cblas' library since users may want to override that by a cblas-compatible library with a different name (closes #736)
* Update HDF5 path hints; use shared library if static is not available. * Check for HDF5BASE from environment module * Fix system-dependent sundials library directory (Fixes #749) (#750) * Handle OSTYPE==linux in scripts/buildBNGL.sh (Fixes #751) * Add SWIG download and build script * Improve finding swig executable and allow user override via SWIG environment variable * Provide installation hints if no SWIG found (Closes #724) * Allow overriding cmake executable with environment variables in build scripts (Closes #738)

- C++
Published by dweindl almost 7 years ago

amici - AMICI v0.10.9

Fixup for missing version bump in v0.10.8 release. No code changes compared to v0.10.8.

- C++
Published by dweindl almost 7 years ago

amici - AMICI v0.10.8

Changes in this release:

All: - Updated / extended documentation - Fix reuse of Solver instances (#541)

C++: - Check for correct AMICI version for model in CMake - Add reporting of computation times (#699)

Python: - Fix manifest file (#698) - Fix initial amounts/concentrations in SBML import

... and various other minor fixes/improvements

- C++
Published by dweindl almost 7 years ago

amici - AMICI v0.10.7

Python * fix unset noise distribution when automatically generating observables in case None are passed (#691)

- C++
Published by yannikschaelte about 7 years ago

amici - AMICI v0.10.6

C++ - Add SuperLUMT support (#681) - Sparsified dJydy (#686) - Enabled support of impulse-free events for DAE models (#687) - thanks to Sebastien Sten for providing a testcase for this

Python - Enabled support for piecewise functions in SBML import (#662) - Fix numeric type when constructing ExpData from Dataframes (#690) - Fix dynamic override in PETab

- C++
Published by FFroehlich about 7 years ago

amici - AMICI v0.10.5

Bugfix release

Doc - Update documentation of Windows installation

C++ - Fix missing source files in CMakeLists.txt (#658) - Set CMake policies to prevent warnings (Closes #676) (#677) - Start using gsl::span instead of raw pointers (#393) (#678)

Python - PySB parsing fix (#669) - Fix failure to propagate BLAS_LIBS contents (#665) - Require setuptools at setup (#673) - Updated PEtab import to allow for different noise models

- C++
Published by dweindl about 7 years ago

amici - AMICI v0.10.4

Features / improvements:

Implement ReturnData and ExpData wrappers as more efficient views (#657)
Add list of references using AMICI (#659)
Custom llh (normal/laplace, lin/log/log10) (#656)

Bugfixes:

Speedup and fix travis build

- C++
Published by yannikschaelte about 7 years ago

amici - AMICI v0.10.3

Features / improvements:

adds the option for early termination on integration failures for runAmiciSimulations
improve runtime of SUNMatrixWrapper::mutliply
expose finite difference routines in public API
enable parallel compilation of clib source files

Bugfixes:

fixed symbolic processing for unreleased pysb features

- C++
Published by FFroehlich about 7 years ago

amici - AMICI v0.10.2

Features / improvements:

extended ExpData interface to allow for condition specific parameters, parameter scales, parameter lists, initial conditions and initial condition sensitivities.

Bugfixes:

fixed output values of ReturnData::x_ss and ReturnData::sx_ss

- C++
Published by FFroehlich about 7 years ago

amici - AMICI v0.10.1

travis-ci.com migration
fix problem with has{variable} functions
allow to import sbml model from string, not only file

- C++
Published by yannikschaelte about 7 years ago

amici - AMICI v0.10.0

Features / improvements:

updated sundials to 4.1.0
updated SuiteSparse to 5.4.0
added generic implementations for symbolic expressions that were sparse matrix vector products

Bugfixes:

fixed return value of rz when no data is provided.

- C++
Published by FFroehlich over 7 years ago

amici - AMICI v0.9.5

Features / improvements:

allow python installations without compilation of c++ extension
improvements to ExpData <-> pandas.DataFrame interface
allow generation of matlab models from python
implement CLI interface for PEtab
improve computation time for conservation laws from pysb import

Bugfixes:

Fix sign in undamped Newton step.

Maintenance:

use newer CI images

- C++
Published by FFroehlich over 7 years ago

amici - AMICI v0.9.4

Minor fixes only: - fix(core) Get solver diagnostics for first(last) timepoint (#588) (Closes #586) - fix(ci) Fix autodeploy (Closes #589)

- C++
Published by dweindl over 7 years ago

amici - AMICI v0.9.3

CRITICAL FIXES - fix(python) fix symbolic computations for adjoint (#583)

Features - feature(python) Check for matching AMICI versions when importing model (Closes #556). Set exact AMICI version as model package requirement. - feature(core) Add option to rethrow AMICI exception (Closes #552) - feature(python) Redirect C/C++ output in stdout is redirected (e.g. in ipython notebooks) (Closes #456)

Minor fixes - fix(python) Fix doc and rename sys_pipes to something more meaningful - fix(ci) Fix premature exit of scripts/runNotebook.sh - fix(deploy) Update pyenv shims to find twine

- C++
Published by dweindl over 7 years ago

amici - AMICI v0.9.2

Bugfixes:

fixes a critical bug in the newton solver
fixes multiple bugs in sbml import for degenerate models, empty stoichiometry assignments and conversion factors
improved error messages for sbml import
#560
#557
#559

- C++
Published by FFroehlich over 7 years ago

amici - AMICI v0.9.1

Features / improvements:

make pure steadystate results available as rdata['x_ss'] and rdata['sx_ss']
add option to specify integration tolerances for the adjoint problem via atolB and rtolB

Bugfixes:

improved conservation law identification to also account for constant species.
fixed a bug where simulation results were written into results of the second newton solver attempt
fixed an openMP related warning

Maintenance:

attempt to fix automatic deploy to pypi via travis

- C++
Published by FFroehlich over 7 years ago

amici - AMICI v0.9.0

Features / improvements:

Allow computation and application of conservation laws for pysb importet models. This enables use of NewtonSolver for preequilibration for models where it was previously not possible.
Use klu_refactor in the sparse Newton solver instead of always using klu_factor and only perform symbolic factorization once (#421)
Allow more detailed finiteness checks (#514)

Bugfixes: - #491

Maintenance: - Several improvements to travis log sizes and folding - Use default copy constructor for Model by implementing class wrappers for sundials matrix types (#516) - Reenable run of SBML testsuite

- C++
Published by FFroehlich over 7 years ago

amici - AMICI v0.8.2

Features / improvements: * Speedup symbolic processing for ODE generation in python

Bugfixes: * Fix(python) Add missing deepcopy (introduced in 6847ba675f2088854db583199b8754aaa6e01576) * Fix(core) Prevent parameter scaling length mismatch (#488) * Fix(python) Set distutils dependency to current version to fix * fix(python) add symlink to version.txt to be included in package

Backwards-compatibility: * Replace 'newline' by literal to restore <R2016b compatibility (Fixes #493)

Maintenance: * Remove obsolete swig library build via cmake and related file copying * Provide issue template for bug reports * Providing valid SBML document to import is not optional anymore * Update documentation and tests * Add python version check and raise required version to 3.6 to prevent cryptic error messages when encountering f-strings

- C++
Published by dweindl over 7 years ago

Recent Releases of amici

amici - AMICI v0.34.1

amici - AMICI v0.34.0

amici - AMICI v0.33.0

amici - AMICI v0.32.0

amici - AMICI v0.31.2

amici - AMICI v0.31.1

amici - AMICI v0.31.0

amici - AMICI v0.30.1

amici - AMICI v0.30.0

amici - AMICI v0.29.0

amici - AMICI v0.28.0

amici - AMICI v0.27.0

amici - AMICI v0.26.3

amici - AMICI v0.26.2

amici - AMICI v0.26.1

amici - AMICI v0.26.0

amici - AMICI v0.25.2

amici - AMICI v0.25.1

amici - AMICI v0.25.0

amici - AMICI v0.24.0

amici - AMICI v0.23.1

amici - AMICI v0.23.0

amici - AMICI v0.22.0

amici - AMICI v0.21.2

amici - AMICI v0.21.1

amici - AMICI v0.21.0

amici - AMICI v0.20.0

amici - AMICI v0.19.0

amici - AMICI v0.18.1

amici - AMICI v0.18.0

amici - AMICI v0.17.1

amici - AMICI v0.17.0

amici - AMICI v0.16.1

amici - AMICI v0.16.0

amici - AMICI v0.15.0

amici - AMICI v0.14.0

Features:

Fixes:

Documentation:

amici - AMICI v0.13.0

amici - AMICI v0.12.0

amici - AMICI v0.11.32

amici - AMICI v0.11.31

amici - AMICI v0.11.30

amici - AMICI v0.11.29

amici - AMICI v0.11.28

amici - AMICI v0.11.27

amici - AMICI v0.11.26

amici - AMICI v0.11.25

amici - AMICI v0.11.24

amici - AMICI v0.11.23

amici - AMICI v0.11.22

amici - AMICI v0.11.21

amici - AMICI v0.11.20

amici - AMICI v0.11.19

amici - AMICI v0.11.18

amici - AMICI v0.11.17

amici - AMICI v0.11.16

amici - AMICI v0.11.15

amici - AMICI v0.11.14

amici - AMICI v0.11.13

amici - AMICI v0.11.12

amici - AMICI v0.11.11

Python

C++

CI

Docker

amici - AMICI v0.11.10

amici - AMICI v0.11.9

Python

C++

Doc

CI

amici - AMICI v0.11.8

Python

C++

Doc

CI

amici - AMICI v0.11.7