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Release 0.4.0 #201
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Release 0.4.0 #201
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dweindl
commented
Oct 9, 2019
- Update AMICI to 0.10.13
- Setup docker image for use with charliecloud (Setup docker image for use with charliecloud #182)
- Cleanup misc/generateHDF5DataFileFromText.py, remove obsolete warning
- Formatting
- Update reference; add funding section to README
- Add parPE logo (Add parPE logo #195)
- Show only interesting lines from /proc/self/status
- Update FAQ
- Disable building tests by default
- CLI option to show supported optimizers (Closes CLI option to show supported optimizers #169)
- Enable CLI starting point index selection for OptimizationApplication
- Add script to read final parameter vectors from parPE (multi-start) optimization result file and write to TSV file
- Add AMICI version and script invocation to generated hdf5 file
- Add gradient check to snakefile
- Fix: Ensure rdata->numstepsB has elements before access (segfault with forward sensitivities)
- Fix parameter indexing for generating example data
- Add doc/README.md
- Document HDF5 output file format (Closes Document HDF5 output file format #175)
- Add worfklow figure
- Add ../doc/petab_model_import.md describing PEtab model import (Closes Document / add example for PEtab import and setup #168)
- Pass H5File as const&, not as Id which will implicitely call H5File which requires HDF5 mutex locking.
- Extend, split, update steadystate example notebooks (Extend, split, update steadystate example notebooks #171)
- Ensure hdf5 mutex lock when using AMICI hdf5 helper functions (Closes Segfaults during HDF5 access with parallel optimization runs due to parallel HDF5 access #167)
- Keep fixed parameters out of /parameters/parameterNames in HDF5 file, which should only contain optimization parameters
- Update readme: Add coinhsl instructions
- Fix HDF5 file generation after PEtab update: do not add AMICI fixed parameters to optmization parameters
- Add scaffold for generation of LoadLeveler job files
- Add snakemake scaffold for PEtab...analysis
- Update PEtab parameter mapping to allow for condition specific scaling etc.
- Update benchmark collection scripts, add Snakefile
- Add basic data analysis Snakefile
- Update plotting functions and example notebook
- Use condition-specific parameter scales (Use condition-specific parameter scales #161)
- Remove obsolete test files
- Remove cpputest remnants
- Update Ipopt install script to 3.12.12, cleanup
- Remove work-around for non-threadsafe adjoints
- Gradient check tolerance relative to objective function values to reduce number of test failures (Closes Improve gradient checker #80)
- Reenable CERES parameter_tolerance option
- PEtab: Add support for non-constant parameter overrides in condition table (Closes PEtab: Add support for non-constant parameter overrides in condition table #158); support non-gaussian noise
- Use HDF5 C++ interface; cleanup.
…h forward sensitivities)
…ptimization result file and write to TSV file
git subrepo clone (merge) --branch=v0.10.10 --force git@github.com:ICB-DCM/AMICI.git deps/AMICI subrepo: subdir: "deps/AMICI" merged: "b39a39f8" upstream: origin: "git@github.com:ICB-DCM/AMICI.git" branch: "v0.10.10" commit: "b39a39f8" git-subrepo: version: "0.4.0" origin: "https://github.com/ingydotnet/git-subrepo" commit: "5d6aba9" Update AMICI requirement
* Add parPE logo * Add github social logo
…B-DCM/AMICI.git deps/AMICI subrepo: subdir: "deps/AMICI" merged: "8875a646" upstream: origin: "git@github.com:ICB-DCM/AMICI.git" branch: "v0.10.12" commit: "8875a646" git-subrepo: version: "0.4.0" origin: "https://github.com/ingydotnet/git-subrepo" commit: "5d6aba9"
subrepo: subdir: "deps/AMICI" merged: "9e7f2ff1" upstream: origin: "git@github.com:ICB-DCM/AMICI.git" branch: "develop" commit: "9e7f2ff1" git-subrepo: version: "0.4.0" origin: "https://github.com/ingydotnet/git-subrepo" commit: "5d6aba9"
* Create Dockerfile for generating parPE docker image * Documentation and examples * Document Snakemake workflow for model import, optimization, ... * Add schema file for Snakemake config file Closes #180 Details: * Add basic Dockerfile adapted from ci image * Cleanup image, allow mpi as root in docker, update deprecated apt options * Disable valgrind on docker build * Basic charliecloud example doc * Add Snakemake config file schema and validate * Add documentation stub on using snakemake optimization workflow * cleanup * Update base image to Ubuntu19 * Update install_parpe.sh * Fix >2 arguments to run_in_venv.sh * Add snakemake as parPE python package requirement * Add example for optimizing a PEtab model using the parPE docker image and charliecloud
Closes #197 * git subrepo pull (merge) --branch=v0.10.13 deps/AMICI subrepo: subdir: "deps/AMICI" merged: "76162dfc" upstream: origin: "git@github.com:ICB-DCM/AMICI.git" branch: "v0.10.13" commit: "76162dfc" git-subrepo: version: "0.4.0" origin: "https://github.com/ingydotnet/git-subrepo" commit: "5d6aba9" * Update python package AMICI requirement
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