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RELEASE
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RELEASE
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2.0.3 - Oct 7, 2021
- chore(RetroPath2): replace UNIX-only function
2.0.2 - Jul 22, 2021
- fix: matches species with multiple letters when checking
2.0.1 - Jul 22, 2021
- chore(error): changed returned error codes
- fix(main): strip spaces in `source_inchi`
2.0.0 - May 26, 2021
- docs(README): provide details for MacOS execution
- fix(Args): disable unused argument
- fix(retropath2): handle spaces in CSV files
- fix(main): remove unused option
1.7.2 - Apr 22, 2021
- fix(check_inchi_from_file): work for unquoted source ID
- style(retropath2): disable unused argument `is_forward`
- docs(README): update use section
1.7.1 - Mar 9, 2021
- fix(main): fix variable names
1.7.0 - Mar 9, 2021
- add the ability to pass InChI and name of target to produce directy in cli argument (`--source_inchi` `--source_name`)
- printout cosmetic
1.6.0 - Mar 3, 2021
- skip packages installation by default to avoid failed updates
1.5.2 - Mar 1, 2021
- set current user as owner of downloaded Knime folder
- change output error codes:
* 4: RetroPath2.0 has found no solution
* 5: Time limit reached
1.5.1 - Feb 4, 2021
- import colored logger from brs_utils
1.5.0 - Jan 28, 2021
- change print out and return codes
- add logger
- remove rdkit package
- add comments
1.4.1 - Dec 12, 2020
- change print out and return codes
1.4.0 - Nov 27, 2020
- ability to take input files without good extensions (.csv, .gz)
1.3.1 - Nov 27, 2020
- print out only filename where results are stored in
1.3.0 - Nov 26, 2020
- fix bugs
- possibility to pass gzipped file as rules file
- handle URLs for KNIME download according to platforms (Linux, MacOS, Windows)
- refactor tests
1.2.0 - Nov 10, 2020
- transform in pure conda package
- add CI toolkit
- add 'utf-8' encoding in setup.py to be Python3.6 compliant when reading accents
1.1.0 - Sep 28, 2020
- change output error codes:
* 1: Source has been found in the sink
* 2: Cannot find source-in-sink file
* 3: Running the RetroPath2.0 Knime program produced an OSError
* 4: Cannot set the RAM usage limit
1.0.9 - Sep 18, 2020
- handle 'csv' or 'tar.gz' format for rules input file
1.0.8 - Sep 18, 2020
- (fix typo in MANIFEST.in) include all files in 'src/workflow'
1.0.7 - Sep 18, 2020
- include all files in 'src/workflow'
1.0.6 - Sep 18, 2020
- rename module folder into 'src'
1.0.5 - Sep 18, 2020
- minor issues fixing
- fix args order
- change path to Knime
- move 'workflow' folder into module folder (remove 'data' folder)
1.0.4 - Sep 17, 2020
- publish build_args_parser function
1.0.3 - Sep 17, 2020
- build for Python 3.8
1.0.2 - Sep 7, 2020
- add the possibility to pass the path to already installed Knime. If Knime not found, then the 3.6.2 version will be downloaded.
- split tests
1.0.1 - Sep 3, 2020
- fix RELEASE filename in MANIFEST.in
1.0.0 - Sep 3, 2020
- first version