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1 ## Breaking news! Docker container at https://github.com/fubar2/toolfactory-galaxy-docker recommended as at December 2020
2
3 ### New demonstration of planemo tool_factory command ![Planemo ToolFactory demonstration](images/lintplanemo-2021-01-08_18.02.45.mkv?raw=false "Demonstration inside Planemo")
4
5 ## This is the original ToolFactory suitable for non-docker situations. Please use the docker container if you can because it's integrated with a Toolshed...
6
7 # WARNING
8
9 Install this tool to a throw-away private Galaxy or Docker container ONLY!
10
11 Please NEVER on a public or production instance where a hostile user may
12 be able to gain access if they can acquire an administrative account login.
13
14 It only runs for server administrators - the ToolFactory tool will refuse to execute for an ordinary user since
15 it can install new tools to the Galaxy server it executes on! This is not something you should allow other than
16 on a throw away instance that is protected from potentially hostile users.
17
18 ## Short Story
19
20 Galaxy is easily extended to new applications by adding a new tool. Each new scientific computational package added as
21 a tool to Galaxy requires an XML document describing how the application interacts with Galaxy.
22 This is sometimes termed "wrapping" the package because the instructions tell Galaxy how to run the package
23 as a new Galaxy tool. Any tool that has been wrapped is readily available to all the users through a consistent
24 and easy to use interface once installed in the local Galaxy server.
25
26 Most Galaxy tool wrappers have been manually prepared by skilled programmers, many using Planemo because it
27 automates much of the boilerplate and makes the process much easier.
28 The ToolFactory (TF) now uses Planemo under the hood for testing, but hides the command
29 line complexities. The user will still need appropriate skills in terms of describing the interface between
30 Galaxy and the new application, but will be helped by a Galaxy tool form to collect all the needed
31 settings, together with automated testing and uploading to a toolshed with optional local installation.
32
33
34 ## ToolFactory generated tools are ordinary Galaxy tools
35
36 A TF generated tool that passes the Planemo test is ready to publish in any Galaxy Toolshed and ready to install in any running Galaxy instance.
37 They are fully workflow compatible and work exactly like any hand-written tool. The user can select input files of the specified type(s) from their
38 history and edit each of the specified parameters. The tool form will show all the labels and help text supplied when the tool was built. When the tool
39 is executed, the dependent binary or script will be passed all the i/o files and parameters as specified, and will write outputs to the specified new
40 history datasets - just like any other Galaxy tool.
41
42 ## Models for tool command line construction
43
44 The key to turning any software package into a Galaxy tool is the automated construction of a suitable command line.
45
46 The TF can build a new tool that will allow the tool user to select input files from their history, set any parameters and when run will send the
47 new output files to the history as specified when the tool builder completed the form and built the new tool.
48
49 That tool can contain instructions to run any Conda dependency or a system executable like bash. Whether a bash script you have written or
50 a Conda package like bwa, the executable will expect to find settings for input, output and parameters on a command line.
51
52 These are often passed as "--name value" (argparse style) or in a fixed order (positional style).
53
54 The ToolFactory allows either, or for "filter" applications that process input from STDIN and write processed output to STDOUT.
55
56 The simplest tool model wraps a simple script or Conda dependency package requiring only input and output files, with no user supplied settings illustrated by
57 the Tacrev demonstration tool found in the Galaxy running in the ToolFactory docker container. It passes a user selected input file from the current history on STDIN
58 to a bash script. The bash script runs the unix tac utility (reverse cat) piped to the unix rev (reverse lines in a text file) utility. It's a one liner:
59
60 `tac | rev`
61
62 The tool building form allows zero or more Conda package name(s) and version(s) and an optional script to be executed by either a system
63 executable like ``bash`` or the first of any named Conda dependency package/version. Tacrev uses a tiny bash script shown above and uses the system
64 bash. Conda bash can be specified if it is important to use the same version consistently for the tool.
65
66 On the tool form, the repeat section allowing zero or more input files was set to be a text file to be selected by the tool user and
67 in the repeat section allowing one or more outputs, a new output file with special value `STDOUT` as the positional parameter, causes the TF to
68 generate a command to capture STDOUT and send it to the new history file containing the reversed input text.
69
70 By reversed, we mean really, truly reversed.
71
72 That simple model can be made much more complicated, and can pass inputs and outputs as named or positional parameters,
73 to allow more complicated scripts or dependent binaries that require:
74
75 1. Any number of input data files selected by the user from existing history data
76 2. Any number of output data files written to the user's history
77 3. Any number of user supplied parameters. These can be passed as command line arguments to the script or the dependency package. Either
78 positional or named (argparse) style command line parameter passing can be used.
79
80 More complex models can be seen in the Sedtest, Pyrevpos and Pyrevargparse tools illustrating positional and argparse parameter passing.
81
82 The most complex demonstration is the Planemo advanced tool tutorial BWA tool. There is one version using a command-override to implement
83 exactly the same command structure in the Planemo tutorial. A second version uses a bash script and positional parameters to achieve the same
84 result. Some tool builders may find the bash version more familiar and cleaner but the choice is yours.
85
86 ## Overview
87
88 ![IHello example ToolFactory tool form](files/hello_toolfactory_form.png?raw=true "Part of the Hello world example ToolFactory tool form")
89
90
91 Steps in building a new Galaxy tool are all conducted through Galaxy running in the docker container:
92
93 1. Login to the Galaxy running in the container at http://localhost:8080 using an admin account. They are specified in config/galaxy.yml and
94 in the documentation at
95 and the ToolFactory will error out and refuse to run for non-administrative tool builders as a minimal protection from opportunistic hostile use.
96
97 2. Start the TF and fill in the form, providing sample inputs and parameter values to suit the Conda package being wrapped.
98
99 3. Execute the tool to create a new XML tool wrapper using the sample inputs and parameter settings for the inbuilt tool test. Planemo runs twice.
100 firstly to generate the test outputs and then to perform a proper test. The completed toolshed archive is written to the history
101 together with the planemo test report. Optionally the new tool archive can be uploaded
102 to the toolshed running in the same container (http://localhost:9009) and then installed inside the Galaxy in the container for further testing.
103
104 4. If the test fails, rerun the failed history job and correct errors on the tool form before rerunning until everything works correctly.
105
106 ![How it works](files/TFasIDE.png?raw=true "Overview of the ToolFactory as an Integrated Development Environment")
107
108 ## Planning and building new Galaxy tool wrappers.
109
110 It is best to have all the required planning done to wrap any new script or binary before firing up the TF.
111 Conda is the only current dependency manager supported. Before starting, at the very least, the tool builder will need
112 to know the required software package name in Conda and the version to use, how the command line for
113 the package must be constructed, and there must be sample inputs in the working history for each of the required data inputs
114 for the package, together with values for every parameter to suit these sample inputs. These are required on the TF form
115 for preparing the inbuilt tool test. That test is run using Planemo, as part of the tool generation process.
116
117 A new tool is specified by filling in the usual Galaxy tool form.
118
119 The form starts with a new tool name. Most tools will need dependency packages and versions
120 for the executable. Only Conda is currently supported.
121
122 If a script is needed, it can be pasted into a text box and the interpreter named. Available system executables
123 can be used such as bash, or an interpreter such as python, perl or R can be nominated as conda dependencies
124 to ensure reproducible analyses.
125
126 The tool form will be generated from the input data and the tool builder supplied parameters. The command line for the
127 executable is built using positional or argparse (named e.g. --input_file /foo/baz) style
128 parameters and is completely dependent on the executable. These can include:
129
130 1. Any number of input data sets needed by the executable. Each appears to the tool user on the run form and is included
131 on the command line for the executable. The tool builder must supply a small representative sample for each one as
132 an input for the automated tool test.
133
134 2. Any number of output data sets generated by the package can be added to the command line and will appear in
135 the user's history at the end of the job
136
137 3. Any number of text or numeric parameters. Each will appear to the tool user on the run form and are included
138 on the command line to the executable. The tool builder must supply a suitable representative value for each one as
139 the value to be used for the automated tool test.
140
141 Once the form is completed, executing the TF will build a new XML tool wrapper
142 including a functional test based on the sample settings and data.
143
144 If the Planemo test passes, the tool can be optionally uploaded to the local Galaxy used in the image for more testing.
145
146 A local toolshed runs inside the container to allow an automated installation, although any toolshed and any accessible
147 Galaxy can be specified for this process by editing the default URL and API keys to provide appropriate credentials.
148
149 ## Generated Tool Dependency management
150
151 Conda is used for all dependency management although tools that use system utilities like sed, bash or awk
152 may be available on job execution nodes. Sed and friends are available as Conda (conda-forge) dependencies if necessary.
153 Versioned Conda dependencies are always baked-in to the tool and will be used for reproducible calculation.
154
155 ## Requirements
156
157 These are all managed automagically. The TF relies on galaxyxml to generate tool xml and uses ephemeris and
158 bioblend to load tools to the toolshed and to Galaxy. Planemo is used for testing and runs in a biocontainer currently at
159 https://quay.io/fubar2/planemo-biocontainer
160
161 ## Caveats
162
163 This docker image requires privileged mode so exposes potential security risks if hostile tool builders gain access.
164 Please, do not run it in any situation where that is a problem - never, ever on a public facing Galaxy server.
165 On a laptop or workstation should be fine in a non-hostile environment.
166
167
168 ## Example generated XML
169
170 For the bwa-mem example, a supplied bash script is included as a configfile and so has escaped characters.
171 ```
172 <tool name="bwatest" id="bwatest" version="0.01">
173 <!--Cite: Creating re-usable tools from scripts doi:10.1093/bioinformatics/bts573-->
174 <!--Source in git at: https://github.com/fubar2/toolfactory-->
175 <!--Created by admin@galaxy.org at 30/11/2020 07:12:10 using the Galaxy Tool Factory.-->
176 <description>Planemo advanced tool building sample bwa mem mapper as a ToolFactory demo</description>
177 <requirements>
178 <requirement version="0.7.15" type="package">bwa</requirement>
179 <requirement version="1.3" type="package">samtools</requirement>
180 </requirements>
181 <configfiles>
182 <configfile name="runme"><![CDATA[
183 REFFILE=\$1
184 FASTQ=\$2
185 BAMOUT=\$3
186 rm -f "refalias"
187 ln -s "\$REFFILE" "refalias"
188 bwa index -a is "refalias"
189 bwa mem -t "2" -v 1 "refalias" "\$FASTQ" > tempsam
190 samtools view -Sb tempsam > temporary_bam_file.bam
191 samtools sort -o "\$BAMOUT" temporary_bam_file.bam
192
193 ]]></configfile>
194 </configfiles>
195 <version_command/>
196 <command><![CDATA[bash
197 $runme
198 $input1
199 $input2
200 $bam_output]]></command>
201 <inputs>
202 <param optional="false" label="Reference sequence for bwa to map the fastq reads against" help="" format="fasta" multiple="false" type="data" name="input1" argument="input1"/>
203 <param optional="false" label="Reads as fastqsanger to align to the reference sequence" help="" format="fastqsanger" multiple="false" type="data" name="input2" argument="input2"/>
204 </inputs>
205 <outputs>
206 <data name="bam_output" format="bam" label="bam_output" hidden="false"/>
207 </outputs>
208 <tests>
209 <test>
210 <output name="bam_output" value="bam_output_sample" compare="sim_size" format="bam" delta_frac="0.1"/>
211 <param name="input1" value="input1_sample"/>
212 <param name="input2" value="input2_sample"/>
213 </test>
214 </tests>
215 <help><![CDATA[
216
217 **What it Does**
218
219 Planemo advanced tool building sample bwa mem mapper
220
221 Reimagined as a bash script for a ToolFactory demonstration
222
223
224 ------
225
226 Script::
227
228 REFFILE=$1
229 FASTQ=$2
230 BAMOUT=$3
231 rm -f "refalias"
232 ln -s "$REFFILE" "refalias"
233 bwa index -a is "refalias"
234 bwa mem -t "2" -v 1 "refalias" "$FASTQ" > tempsam
235 samtools view -Sb tempsam > temporary_bam_file.bam
236 samtools sort -o "$BAMOUT" temporary_bam_file.bam
237
238 ]]></help>
239 </tool>
240
241 ```
242
243
244
245 ## More Explanation
246
247 The TF is an unusual Galaxy tool, designed to allow a skilled user to make new Galaxy tools.
248 It appears in Galaxy just like any other tool but outputs include new Galaxy tools generated
249 using instructions provided by the user and the results of Planemo lint and tool testing using
250 small sample inputs provided by the TF user. The small samples become tests built in to the new tool.
251
252 It offers a familiar Galaxy form driven way to define how the user of the new tool will
253 choose input data from their history, and what parameters the new tool user will be able to adjust.
254 The TF user must know, or be able to read, enough about the tool to be able to define the details of
255 the new Galaxy interface and the ToolFactory offers little guidance on that other than some examples.
256
257 Tools always depend on other things. Most tools in Galaxy depend on third party
258 scientific packages, so TF tools usually have one or more dependencies. These can be
259 scientific packages such as BWA or scripting languages such as Python and are
260 managed by Conda. If the new tool relies on a system utility such as bash or awk
261 where the importance of version control on reproducibility is low, these can be used without
262 Conda management - but remember the potential risks of unmanaged dependencies on computational
263 reproducibility.
264
265 The TF user can optionally supply a working script where scripting is
266 required and the chosen dependency is a scripting language such as Python or a system
267 scripting executable such as bash. Whatever the language, the script must correctly parse the command line
268 arguments it receives at tool execution, as they are defined by the TF user. The
269 text of that script is "baked in" to the new tool and will be executed each time
270 the new tool is run. It is highly recommended that scripts and their command lines be developed
271 and tested until proven to work before the TF is invoked. Galaxy as a software development
272 environment is actually possible, but not recommended being somewhat clumsy and inefficient.
273
274 Tools nearly always take one or more data sets from the user's history as input. TF tools
275 allow the TF user to define what Galaxy datatypes the tool end user will be able to choose and what
276 names or positions will be used to pass them on a command line to the package or script.
277
278 Tools often have various parameter settings. The TF allows the TF user to define how each
279 parameter will appear on the tool form to the end user, and what names or positions will be
280 used to pass them on the command line to the package. At present, parameters are limited to
281 simple text and number fields. Pull requests for other kinds of parameters that galaxyxml
282 can handle are welcomed.
283
284 Best practice Galaxy tools have one or more automated tests. These should use small sample data sets and
285 specific parameter settings so when the tool is tested, the outputs can be compared with their expected
286 values. The TF will automatically create a test for the new tool. It will use the sample data sets
287 chosen by the TF user when they built the new tool.
288
289 The TF works by exposing *unrestricted* and therefore extremely dangerous scripting
290 to all designated administrators of the host Galaxy server, allowing them to
291 run scripts in R, python, sh and perl. For this reason, a Docker container is
292 available to help manage the associated risks.
293
294 ## Scripting uses
295
296 To use a scripting language to create a new tool, you must first prepared and properly test a script. Use small sample
297 data sets for testing. When the script is working correctly, upload the small sample datasets
298 into a new history, start configuring a new ToolFactory tool, and paste the script into the script text box on the TF form.
299
300 ### Outputs
301
302 The TF will generate the new tool described on the TF form, and test it
303 using planemo. Optionally if a local toolshed is running, it can be used to
304 install the new tool back into the generating Galaxy.
305
306 A toolshed is built in to the Docker container and configured
307 so a tool can be tested, sent to that toolshed, then installed in the Galaxy
308 where the TF is running using the default toolshed and Galaxy URL and API keys.
309
310 Once it's in a ToolShed, it can be installed into any local Galaxy server
311 from the server administrative interface.
312
313 Once the new tool is installed, local users can run it - each time, the
314 package and/or script that was supplied when it was built will be executed with the input chosen
315 from the user's history, together with user supplied parameters. In other words, the tools you generate with the
316 TF run just like any other Galaxy tool.
317
318 TF generated tools work as normal workflow components.
319
320
321 ## Limitations
322
323 The TF is flexible enough to generate wrappers for many common scientific packages
324 but the inbuilt automation will not cope with all possible situations. Users can
325 supply overrides for two tool XML segments - tests and command and the BWA
326 example in the supplied samples workflow illustrates their use. It does not deal with
327 repeated elements or conditional parameters such as allowing a user to choose to see "simple"
328 or "advanced" parameters (yet) and there will be plenty of packages it just
329 won't cover - but it's a quick and efficient tool for the other 90% of cases. Perfect for
330 that bash one liner you need to get that workflow functioning correctly for this
331 afternoon's demonstration!
332
333 ## Installation
334
335 The Docker container https://github.com/fubar2/toolfactory-galaxy-docker/blob/main/README.md
336 is the best way to use the TF because it is preconfigured
337 to automate new tool testing and has a built in local toolshed where each new tool
338 is uploaded. If you grab the docker container, it should just work after a restart and you
339 can run a workflow to generate all the sample tools. Running the samples and rerunning the ToolFactory
340 jobs that generated them allows you to add fields and experiment to see how things work.
341
342 It can be installed like any other tool from the Toolshed, but you will need to make some
343 configuration changes (TODO write a configuration). You can install it most conveniently using the
344 administrative "Search and browse tool sheds" link. Find the Galaxy Main
345 toolshed at https://toolshed.g2.bx.psu.edu/ and search for the toolfactory
346 repository in the Tool Maker section. Open it and review the code and select the option to install it.
347
348 If not already there please add:
349
350 ```
351 <datatype extension="tgz" type="galaxy.datatypes.binary:Binary" mimetype="multipart/x-gzip" subclass="True" />
352 ```
353
354 to your local config/data_types_conf.xml.
355
356
357 ## Restricted execution
358
359 The tool factory tool itself will ONLY run for admin users -
360 people with IDs in config/galaxy.yml "admin_users".
361
362 *ONLY admin_users can run this tool*
363
364 That doesn't mean it's safe to install on a shared or exposed instance - please don't.
365
366 ## Generated tool Security
367
368 Once you install a generated tool, it's just
369 another tool - assuming the script is safe. They just run normally and their
370 user cannot do anything unusually insecure but please, practice safe toolshed.
371 Read the code before you install any tool. Especially this one - it is really scary.
372
373 ## Attribution
374
375 Creating re-usable tools from scripts: The Galaxy Tool Factory
376 Ross Lazarus; Antony Kaspi; Mark Ziemann; The Galaxy Team
377 Bioinformatics 2012; doi: 10.1093/bioinformatics/bts573
378
379 http://bioinformatics.oxfordjournals.org/cgi/reprint/bts573?ijkey=lczQh1sWrMwdYWJ&keytype=ref
380