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Releases: brsynth/RetroPath2-wrapper

Release 3.6.0

21 Oct 08:05

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3.6.0 (2025-10-21)

Features

  • knime: allow online and local install from Zenodo (525571d)
  • knime: raise error if installation is failed, install Knime online in the code (be2de7c)

Bug Fixes

  • knime: mv logger arg to another function (d6aa106)
  • knime: trigger self.kexec of Knime (5b0943a)

Release 3.5.0

08 Oct 09:58

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3.5.0 (2025-10-08)

Features

  • knime: download from zenodo and install (a649cac)

Bug Fixes

  • main.py: corrects elif statement (e57c066)
  • knime: add more plugins to install for Knime (a4c9dcb)
  • knime: install plugins, paths of the root Knime and p2 dir (3b59095)
  • knime: undef var (2325832)

Code Refactoring

  • main.py: handles args.std_hydrogen != auto (935263b)

Continuous Integration

  • tag.yml: stops testing conda-build with custom cicd (6e28327)
  • test.yml: uses environment-dev.yaml to update test env before testing (9d5c3f2)

Tests

  • environment-dev.yaml: adds env specification for test-only libraries (d16491c)

Build Systems

  • adds conda env file for macos-arm64 (d6e1616)
  • upgrades GitHub actions to latest versions (3e79b1a)
  • environment-macos_arm64.yaml: renames mac specific env (b7ec378)

Documentation

  • main.py: refines type hints (49a33c1)
  • knime: update for Knime installation (6a78c6a)

Release 3.4.2

29 Sep 17:09
a849841

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3.4.2 (2025-09-29)

Bug Fixes

Release 3.4.1

23 Sep 14:54
a969608

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3.4.1 (2025-09-23)

Bug Fixes

  • RetroPath2: check for explicit hydrogens instead of implicits (a8e8dc4)

Release 3.4.0

21 Aug 12:06
43d86af

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3.4.0 (2025-08-21)

Features

  • workflow: add r20250728.knwf (c4dd24a)
  • add explicit/implicit hydrogens (17e7cfa)

Release 3.3.1

06 Mar 15:04

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3.3.1 (2025-03-06)

Bug Fixes

  • knime.py: fix __instal_exec() call (4b3743b)

Release 3.3.0

05 Mar 14:18

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3.3.0 (2025-03-05)

Features

  • add --quiet option to disable error codes (335d2a2)

Build Systems

  • deps: bump actions/download-artifact in /.github/workflows (816b90b)

Release 3.2.0

18 Jul 14:00

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3.2.0 (2024-07-18)

Features

  • add '--no-network' option (0dbba0c)

Release 3.1.1

21 Dec 08:48

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3.1.1 (2023-12-21)

Bug Fixes

  • knime.py: plugins_to_install from KPlugins -> str (6bd11f4)

Build Systems

  • environment.yaml: fix brs_utils bound version (18bbf80)
  • environment.yaml: update dep bound (2139201)

Release 3.1.0

14 Dec 10:03

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3.1.0 (2023-12-14)

Features

  • add --kplugins option to handle KNIME plugins (8807098)

Build Systems

  • environment.yaml: update bound version (85c11e5)