Mercurial > repos > kls286 > chap_test_20230328

annotate reduce.xml @ 21:2c6483be513d draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9-dirty
author kls286
date Tue, 11 Apr 2023 11:20:26 +0000
parents fc1b08c6fa10
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
19
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
1 <tool id="CHAP_saxswaxs_reduce" name="SAXSWAXS Reduce Map" version="0.1.0+galaxy0" python_template_version="3.5" profile="21.05">
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
2 <requirements>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
3 <requirement type="package" version="0.0.3">chessanalysispipeline</requirement>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
4 <requirement type="package" version="2.28.1">requests</requirement>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
5 <requirement type="package" version="2023.3.0">pyfai</requirement>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
6 <requirement type="package" version="1.10.7">pydantic</requirement>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
7 </requirements>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
8 <command detect_errors="exit_code"><![CDATA[
20
fc1b08c6fa10 planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9-dirty
kls286
parents: 19
diff changeset
9 pip --exists-action i install certif-pyspec==1.5.3 &&
19
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
10 cp '$mapconfig' map.yaml &&
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
11 cp '$integrationconfig' integration.yaml &&
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
12 CHAP --config '$__tool_directory__/pipeline.yaml'
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
13 ]]></command>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
14 <inputs>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
15 <param type="data" name="mapconfig" format="yaml" />
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
16 <param type="data" name="integrationconfig" format="yaml" />
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
17 </inputs>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
18 <outputs>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
19 <data name="specdata" label="Map of SPEC data" format="nex" from_work_dir="map_specdata.nxs"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
20 <data name="reduceddata" label="Map of reduced data" format="nex" from_work_dir="map_reduceddata.nxs"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
21 </outputs>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
22 <tests>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
23 <test>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
24 <param name="mapconfig" value="map.yaml"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
25 <param name="integrationconfig" value="integration.yaml"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
26 <output name="specdata" value="map_specdata.nxs"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
27 <output name="reduceddata" value="map_reduceddata.nxs"/>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
28 </test>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
29 </tests>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
30 <help><![CDATA[
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
31 usage: PROG [-h] [--config CONFIG] [--verbose]
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
32
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
33 options:
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
34 -h, --help show this help message and exit
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
35 --config CONFIG Input configuration file
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
36 --verbose verbose output
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
37
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
38 ]]></help>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
39 <citations>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
40 <citation type="bibtex">
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
41 @misc{githubChessAnalysisPipeline,
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
42 author = {LastTODO, FirstTODO},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
43 year = {TODO},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
44 title = {CHAPSAXSWAXSdemo},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
45 publisher = {GitHub},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
46 journal = {GitHub repository},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
47 url = {https://github.com/CHESSComputing/ChessAnalysisPipeline},
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
48 }</citation>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
49 </citations>
4b553f7fb7fb planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit 2e1e853d16782d778b15f82fb5760874382b36e9
kls286
parents:
diff changeset
50 </tool>