https://github.com/brsynth/retropath2-wrapper - Release 3.3.1

3.3.1 (2025-03-06)

Bug Fixes

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

- JavaScript
Published by github-actions[bot] over 1 year ago

https://github.com/brsynth/retropath2-wrapper - Release 3.3.0

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)

- JavaScript
Published by github-actions[bot] over 1 year ago

https://github.com/brsynth/retropath2-wrapper - Release 3.2.0

3.2.0 (2024-07-18)

Features

• add '--no-network' option (0dbba0c)

- JavaScript
Published by github-actions[bot] almost 2 years ago

https://github.com/brsynth/retropath2-wrapper - Release 3.1.1

3.1.1 (2023-12-21)

Bug Fixes

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

Build Systems

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

- JavaScript
Published by github-actions[bot] over 2 years ago

https://github.com/brsynth/retropath2-wrapper - Release 3.1.0

3.1.0 (2023-12-14)

Features

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

Build Systems

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

- JavaScript
Published by github-actions[bot] over 2 years ago

https://github.com/brsynth/retropath2-wrapper - Release 3.0.1

3.0.1 (2023-04-19)

- JavaScript
Published by github-actions[bot] about 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 3.0.0

3.0.0 (2023-04-13)

⚠ BREAKING CHANGES

• retropath2_wrapper: Remove arguments from command line Simply how Knime is handled:
• Knime executable is provided by the user
• It will be downloaded from Zenodo. Custom install directory and version are allowed.

Features

• add KNIME python and rdkit versions (19f4d3a)
• retropath2_wrapper: remove --kpkg-install, --kzenodo arguments (a18ba0b)

Bug Fixes

• add version for kpython + krdkit (41f2a20)
• build: pkg arch (cc1ee59)
• build: rm macos since pkgs do not exist (7da7c9b)
• build: typo (8ef38db)
• knime.py: add lib path (f3b182b)
• retropath2_wrapper: resolve historic modifications (d40f193)

- JavaScript
Published by github-actions[bot] about 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.6.0

2.6.0 (2023-01-30)

Features

• retropath2_wrapper: download from Zenodo v4.7.0 (e80405f)
• retropath2_wrapper: download Knime from Zenodo (27c6c45)

Bug Fixes

• retropath2_wrapper: default argument, return code (85c7451)
• retropath2_wrapper: failed return codes were changed (931da6b)
• retropath2_wrapper: logic to install exec and package (7409512)
• retropath2_wrapper: misc (917e67b)
• retropath2_wrapper: run effectively a test (a848601)
• retropath2_wrapper: update knime version (215adc0)
• retropath2_wrapper: workflow path (5a8eac8)

Documentation

• retropath2_wrapper: update test section & link to zenodo repositories (d9abae9)

Tests

• retropath2_wrapper: enable conftest.py to run functional or not according to the env (71e7f3d)
• retropath2_wrapper: move unit test in a new dir (c2e7f3a)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.5.2

2.5.2 (2022-12-01)

Bug Fixes

• retropath2_wrapper: prevent use of CONDA_PREFIX env variable (471442a)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.5.1

2.5.1 (2022-11-30)

Bug Fixes

• retropath2_wrapper: rm ldlibrarypath hack (3792faa)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.5.0

2.5.0 (2022-11-28)

Features

• retropath2: add Preference object and add it to cmd line for knime (5b197ef)
• retropath2: rename argument "timeout" to "msc_timeout" and rename corresponding variables (3fe9fad)

Bug Fixes

• knime: specify package version per Knime version #8 (b3a9ae2)
• retropath2: adapted for windows (7bc83a0)
• retropath2: timeout rdkit (eb7466f)
• retropath2_wrapper: check_input, adjust return code (afc5ec5)

Code Refactoring

• tests: locate test files into a root file (75e6bb5)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.4.0

2.4.0 (2022-09-23)

Features

• add kinstall option (5728dfc)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.3.1

2.3.1 (2022-09-20)

Bug Fixes

• #4: remove unused mwmax_cof argument (06ce8c4), closes #4
• RetroPath2: remove regex deprecation warning (b8d052e)
• change and standardise return codes (b6bec0b)

Reverts

• rm mwmax_cof (931c11e)

- JavaScript
Published by github-actions[bot] over 3 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.3.0

2.3.0 (2022-01-07)

Features

• runnable on Windows (d68f8bb)

Build Systems

• environment.yaml: update brs_utils min version (2c8d0cf)

- JavaScript
Published by github-actions[bot] over 4 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.2.0

2.2.0 (2022-01-05)

Features

• macOS: make natively runnable on macOS (0103cf5)
• macOS: make runnable natively on macOS (b1b0b29)

Build Systems

• environment.yaml: bound brs_utils version (09f43f2)

- JavaScript
Published by github-actions[bot] over 4 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.1.0

2.1.0 (2022-01-04)

Features

• add new workflow (with stoichiometry) (4b62d21)
• pass workflow as CLI parameter (355fa9c)

Bug Fixes

• version (c7f2912)
• tests: do not compare 'workflow' on Windows (53cb82e)
• tests: manage default variables (31260f4)
• tests: typo (f5570c8)
• manage non-existent LDLIBRARYPATH (c7264b9)

Build Systems

• environment.yaml: add freetype (c672de0)

Tests

• change maxDiff (fa4c7ea)
• rm test (c25b384)

Continuous Integration

• github: restore workflow (e8a21f3)
• github: ruby version (7390406)
• github: test (093dc3c)

- JavaScript
Published by github-actions[bot] over 4 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.0.5

2.0.5 (2021-12-17)

Bug Fixes

• RetroPath2.py: update regexp (c8552a0)

Continuous Integration

• github: rm ruby version (e466616)

Tests

• test_RP2.py: test checkinchifrom_file (c39dc45)
• additional inchi tests regarding issue #3 (ddfcada)

- JavaScript
Published by github-actions[bot] over 4 years ago

https://github.com/brsynth/retropath2-wrapper - Release 2.0.4

2.0.4 (2021-11-15)

Bug Fixes

• RetroPath2: fix import (5104839)

Build Systems

• ci: remove 'ci' folder (9b3dc5c)
• environment.yaml: rename env (de3905d)
• github: change workflows (bc6c03b)
• github: update check workflow (4b6796a)
• recipe: rm 'recipe' folder (2909ded)
• setup.py: update content (986bb60)

- JavaScript
Published by github-actions[bot] over 4 years ago