From 3cf4ceef3a878780b34f14a8e1a24643deffb72c Mon Sep 17 00:00:00 2001 From: guillaume-gricourt Date: Thu, 14 Dec 2023 15:13:59 +0100 Subject: [PATCH 1/3] feat(tools): retropath2_wrapper, update version --- tools/retropath2_wrapper/retropath2_wrapper.xml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tools/retropath2_wrapper/retropath2_wrapper.xml b/tools/retropath2_wrapper/retropath2_wrapper.xml index a400a632..0ec936bf 100644 --- a/tools/retropath2_wrapper/retropath2_wrapper.xml +++ b/tools/retropath2_wrapper/retropath2_wrapper.xml @@ -2,7 +2,7 @@ Build a reaction network from a set of source compounds to a set of sink compounds 0 - 3.0.1 + 3.1.0 retropath2_wrapper From f1e1dba23d53c245ee3bd34a3e9bc17cb81a05a7 Mon Sep 17 00:00:00 2001 From: guillaume-gricourt Date: Wed, 14 Feb 2024 13:44:06 +0100 Subject: [PATCH 2/3] fix(tools): retropath2, dirname matches id --- tools/{retropath2_wrapper => retropath2}/.gitignore | 0 tools/{retropath2_wrapper => retropath2}/.shed.yml | 0 tools/{retropath2_wrapper => retropath2}/retropath2_wrapper.xml | 0 .../test-data/results_retropath2.csv | 0 tools/{retropath2_wrapper => retropath2}/test-data/rules.csv | 0 tools/{retropath2_wrapper => retropath2}/test-data/sink.csv | 0 .../{retropath2_wrapper => retropath2}/test-data/source_inchi.txt | 0 7 files changed, 0 insertions(+), 0 deletions(-) rename tools/{retropath2_wrapper => retropath2}/.gitignore (100%) rename tools/{retropath2_wrapper => retropath2}/.shed.yml (100%) rename tools/{retropath2_wrapper => retropath2}/retropath2_wrapper.xml (100%) rename tools/{retropath2_wrapper => retropath2}/test-data/results_retropath2.csv (100%) rename tools/{retropath2_wrapper => retropath2}/test-data/rules.csv (100%) rename tools/{retropath2_wrapper => retropath2}/test-data/sink.csv (100%) rename tools/{retropath2_wrapper => retropath2}/test-data/source_inchi.txt (100%) diff --git a/tools/retropath2_wrapper/.gitignore b/tools/retropath2/.gitignore similarity index 100% rename from tools/retropath2_wrapper/.gitignore rename to tools/retropath2/.gitignore diff --git a/tools/retropath2_wrapper/.shed.yml b/tools/retropath2/.shed.yml similarity index 100% rename from tools/retropath2_wrapper/.shed.yml rename to tools/retropath2/.shed.yml diff --git a/tools/retropath2_wrapper/retropath2_wrapper.xml b/tools/retropath2/retropath2_wrapper.xml similarity index 100% rename from tools/retropath2_wrapper/retropath2_wrapper.xml rename to tools/retropath2/retropath2_wrapper.xml diff --git a/tools/retropath2_wrapper/test-data/results_retropath2.csv b/tools/retropath2/test-data/results_retropath2.csv similarity index 100% rename from tools/retropath2_wrapper/test-data/results_retropath2.csv rename to tools/retropath2/test-data/results_retropath2.csv diff --git a/tools/retropath2_wrapper/test-data/rules.csv b/tools/retropath2/test-data/rules.csv similarity index 100% rename from tools/retropath2_wrapper/test-data/rules.csv rename to tools/retropath2/test-data/rules.csv diff --git a/tools/retropath2_wrapper/test-data/sink.csv b/tools/retropath2/test-data/sink.csv similarity index 100% rename from tools/retropath2_wrapper/test-data/sink.csv rename to tools/retropath2/test-data/sink.csv diff --git a/tools/retropath2_wrapper/test-data/source_inchi.txt b/tools/retropath2/test-data/source_inchi.txt similarity index 100% rename from tools/retropath2_wrapper/test-data/source_inchi.txt rename to tools/retropath2/test-data/source_inchi.txt From 3cafd51faf46440956aa5a54d93891064170e87a Mon Sep 17 00:00:00 2001 From: guillaume-gricourt Date: Wed, 14 Feb 2024 14:24:40 +0100 Subject: [PATCH 3/3] chore(github): update --- .tt_skip | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.tt_skip b/.tt_skip index fc878f2c..a9e53050 100644 --- a/.tt_skip +++ b/.tt_skip @@ -1,5 +1,5 @@ tools/neo4jsbml -tools/retropath2_wrapper +tools/retropath2 tools/rpbasicdesign tools/partsgenie workflows/retrosynthesis_workflow