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Releases: AMICI-dev/AMICI

AMICI v0.11.19

13 Oct 16:13
4610a60
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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 newton_steps == 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

AMICI v0.11.18

12 Jul 12:37
bd3b89d
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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)

AMICI v0.11.17

30 May 18:02
c037706
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Fixes:

  • Fix "maybe-uninitialized" compiler warning (#1495)
  • Fix substitution of expressions in `drootdt_total (#1512)
  • C++: Fix serialization and == operator (#1493)
  • C++: Avoid w in root and stau 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)

AMICI v0.11.16

13 Apr 20:10
57a7b11
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Fixes:

  • Fixed serialization bug (#1490)

New:

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

AMICI v0.11.15

31 Mar 20:26
4e671a5
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Fixes:

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

New:

AMICI v0.11.14

16 Mar 14:13
0913290
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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)

AMICI v0.11.13

20 Feb 12:32
b090fbb
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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 import_petab_problem (#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
  • ...

AMICI v0.11.12

26 Jan 17:07
b113544
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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)

AMICI v0.11.11

15 Dec 22:23
a5c679b
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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

AMICI v0.11.10

30 Nov 15:11
275e599
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Bugfix release that restores compatibility with sympy 1.7