Mercurial > repos > lecorguille > xcms_xcmsset
comparison README.rst @ 12:15646e937936 draft
planemo upload for repository https://github.com/workflow4metabolomics/xcms commit a6f5f18b3d6130f7d7fbb9f2df856838c6217797
author | lecorguille |
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date | Fri, 07 Apr 2017 07:35:01 -0400 |
parents | 91311aa08cdc |
children | c934dd5c49a9 |
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11:91311aa08cdc | 12:15646e937936 |
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1 Job Dynamic Destination Mapping | |
2 ------------------------------- | |
3 | |
4 **Why** | |
5 | |
6 xcmsSet wrapper allow both individual file and zip file which can contain several samples. | |
7 Thus, it can be interesting to adjust the number of thread according to the input type. | |
8 For example: 1 thread for a single mzXML or NetCDF file and 8 threads for a zip file. | |
9 | |
10 **What** | |
11 | |
12 The [Dynamic Destination Mapping](https://galaxyproject.org/admin/config/jobs/#dynamic-destination-mapping) allow Galaxy to choose a destination at runtime based on factors such as the job inputs, user submitting the job, cluster status, etc... | |
13 | |
14 **How** | |
15 | |
16 - The file `destinations_input_type.py` (shiped with this tool) must be place in `lib/galaxy/jobs/rules/` | |
17 - The `job_conf.xml` must be inspired by the `job_conf.xml.sample` shiped with this tool | |
18 - The final destination names must match between the `job_conf.xml` and the `destinations_input_type.py` | |
19 - Restart Galaxy | |
20 | |
1 | 21 |
2 Changelog/News | 22 Changelog/News |
3 -------------- | 23 -------------- |
24 | |
25 **Version 2.1.0 - 22/02/2017** | |
26 | |
27 - NEW: The W4M tools will be able now to take as input a single file. It will allow to submit in parallel several files and merge them afterward using "xcms.xcmsSet Merger" before "xcms.group". | |
28 | |
29 - BUGFIX: the default value of "matchedFilter" -> "Step size to use for profile generation" which was of 0.01 have been changed to fix with the XMCS default values to 0.1 | |
4 | 30 |
5 **Version 2.0.11 - 22/12/2016** | 31 **Version 2.0.11 - 22/12/2016** |
6 | 32 |
7 - BUGFIX: propose scanrange for all methods | 33 - BUGFIX: propose scanrange for all methods |
8 | 34 |
47 - NEW: The W4M workflows will now take as input a zip file to ease the transfer and to improve dataset exchange between tools and users. (See How_to_upload). The previous "Library directory name" is still available but we invite user to switch on the new zip system as soon as possible. | 73 - NEW: The W4M workflows will now take as input a zip file to ease the transfer and to improve dataset exchange between tools and users. (See How_to_upload). The previous "Library directory name" is still available but we invite user to switch on the new zip system as soon as possible. |
48 | 74 |
49 - IMPROVEMENT: new datatype/dataset formats (rdata.xcms.raw, rdata.xcms.group, rdata.xcms.retcor ...) will facilitate the sequence of tools and so avoid incompatibility errors. | 75 - IMPROVEMENT: new datatype/dataset formats (rdata.xcms.raw, rdata.xcms.group, rdata.xcms.retcor ...) will facilitate the sequence of tools and so avoid incompatibility errors. |
50 | 76 |
51 - IMPROVEMENT: parameter labels have changed to facilitate their reading. | 77 - IMPROVEMENT: parameter labels have changed to facilitate their reading. |
52 | |
53 | |
54 Test Status | |
55 ----------- | |
56 | |
57 Planemo test using conda: passed | |
58 | |
59 Planemo test using source env.sh: passed | |
60 | |
61 Planemo shed_test : passed |