--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/generate.sh	Wed Sep 09 12:47:05 2020 +0000
@@ -0,0 +1,76 @@
+#!/usr/bin/env bash
+
+# VERSION=2.3
+# CONDAPKG=https://anaconda.org/bioconda/openms/2.3.0/download/linux-64/openms-2.3.0-py27h932d754_3.tar.bz2
+# VERSION=2.4
+# CONDAPKG=https://anaconda.org/bioconda/openms/2.4.0/download/linux-64/openms-2.4.0-py27h574aadf_1.tar.bz2
+
+VERSION=2.5
+FILETYPES="filetypes.txt"
+PROFILE="20.05"
+## FILETYPES_RE=$(grep -v "^#" $FILETYPES | grep -v "^$" | cut -f 1 -d" " | tr '\n' '|' | sed 's/|$//'| sed 's/|/\\|/g')
+
+export tmp=$(mktemp -d)
+
+export CTDCONVERTER="$tmp/CTDConverter"
+
+export PYTHONPATH="$(pwd)/CTDopts/"
+###############################################################################
+## reset old data
+###############################################################################
+# rm $(ls *xml |grep -v macros)
+# rm -rf ctd
+# mkdir -p ctd
+# echo "" > prepare_test_data.sh
+
+###############################################################################
+## generate tests
+## also creates 
+## - conda environment (for executing the binaries) and 
+## - the git clone of OpenMS (for generating the tests)
+## - ctd files
+###############################################################################
+bash ./test-data.sh ./macros_autotest.xml
+
+###############################################################################
+## get the 
+## - conda package (for easy access and listing of the OpenMS binaries), 
+###############################################################################
+# if [ ! -d $OPENMSPKG ]; then
+# 	mkdir $OPENMSPKG/
+# 	wget -P $OPENMSPKG/ "$CONDAPKG"
+# 	tar -xf $OPENMSPKG/"$(basename $CONDAPKG)" -C OpenMS$VERSION-pkg/
+#   rm $OPENMSPKG/"$(basename $CONDAPKG)"
+# fi
+
+###############################################################################
+## Get python libaries for CTD -> Galaxy conversion
+## TODO fix to main repo OR conda packkage if PRs are merged 
+###############################################################################
+# if [ ! -d CTDopts ]; then
+# 	# git clone https://github.com/genericworkflownodes/CTDopts CTDopts
+# 	git clone -b topic/no-1-2x https://github.com/bernt-matthias/CTDopts CTDopts
+# fi
+if [ ! -d $CTDCONVERTER ]; then
+	#git clone https://github.com/WorkflowConversion/CTDConverter.git CTDConverter
+	git clone -b topic/cdata https://github.com/bernt-matthias/CTDConverter.git $CTDCONVERTER
+fi
+# export PYTHONPATH=$(pwd)/CTDopts
+###############################################################################
+## conversion ctd->xml 
+###############################################################################
+source $(dirname $(which conda))/../etc/profile.d/conda.sh
+conda activate $tmp/OpenMS$VERSION-env
+python $CTDCONVERTER/convert.py galaxy -i ctd/*ctd -o ./ -s tools_blacklist.txt -f "$FILETYPES" -m macros.xml -t tool.conf  -p hardcoded_params.json --test-macros macros_autotest.xml --test-macros-prefix autotest_  --test-macros macros_test.xml --test-macros-prefix manutest_ --tool-version $VERSION --tool-profile $PROFILE > convert.out 2> convert.err
+if [[ "$?" -ne "0" ]]; then >&2 echo 'CTD -> XML conversion failed'; >&2 echo -e "stderr:\n$(cat convert.err)"; fi
+conda deactivate
+
+patch PepNovoAdapter.xml < PepNovoAdapter.patch
+patch OMSSAAdapter.xml < OMSSAAdapter.patch
+
+# #-b version log debug test in_type executable pepnovo_executable param_model_directory rt_concat_trafo_out param_id_pool
+
+# for i in A-E F-H I-L M-N O-P Q-Z
+# do
+# 	planemo t [$i]*xml --galaxy_branch release_20.05 --galaxy_python_version 3.7 --test_output $i.html --test_output_json $i.json &
+# done