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# interproscan_docker

Docker recipe for building Interproscan
Container recipes for building [Interproscan](https://interproscan-docs.readthedocs.io). Both [Docker](https://www.docker.com/) and [Singularity](https://singularity.hpcng.org/) versions are provided (the latter recomended).

* If you want to use privative software, external programs must be obtained with granted academic permissions.
* If you want to use Interproscan external privative software, these programs must be obtained first with granted academic permissions.
* [SignalP](http://www.cbs.dtu.dk/services/SignalP/) ```signalp-4.1b.Linux.tar.Z```
* [TMHMM](http://www.cbs.dtu.dk/services/TMHMM/) ```tmhmm-2.0c.Linux.tar.gz```
* [Phobious](https://phobius.sbc.su.se/) ```phobius101_linux.tar.gz```
* Regarding phobius: https://www.biostars.org/p/238642/
* Some modifications are also needed in those programs in advance, e. g., replacing ```/usr/bin/perl``` for ```/usr/bin/env perl```
* Keep in mind that some other modifications are also needed in those programs above in advance, e. g., replacing ```/usr/bin/perl``` for ```/usr/bin/env perl```

Last software package versions of Interproscan include the whole data by default. For container performance and distribution, we don't keep Interproscan data directory in the container and we replace it for a symbolic link / volume pointing to a defined location in our HPC storage by using build argument ```IPSCAN_DATA```.

Last software versions of Interproscan include the whole data by default (which is a significant increase remove it from this container and we place it independently in a separate location pointed above. Care must be taken to place data in the desired location.

Always match program and data versions and ensure this is reflected in ```interproscan.properties``` or ```interproscan.open.properties``` file. Otherwise the program is not likely to work.
It is important to ensure that program and data versions match and that this is adequately reflected in ```interproscan.properties``` or ```interproscan.open.properties``` files. Otherwise Interproscan is not likely to work.

Building with Singularity:

Expand All @@ -26,6 +25,6 @@ You can avoid using ```sudo``` with ```--fakeroot``` Singularity build option.

## NOTES

* ```IPSCAN_DATA``` build argument in the recipes must be adapted to fit the configuration of your HPC storage setup. A user with suitable permissions may need to run it for first time to index ```IPSCAN_DATA``` dataset. Details here: https://interproscan-docs.readthedocs.io/en/5.48-83.0/HowToRun.html
* Depending on your setup, you may need to change ```SINGULARITY_TMPDIR``` (and ```SINGULARITY_CACHEDIR```) environment variables for pointing to a location with enough space. More details at [Singularity installation instructions](https://singularity.hpcng.org/admin-docs/master/installation.html).
* ```IPSCAN_DATA``` build argument in the recipes must be adapted to fit the configuration of your HPC storage setup. Moreover, keep into account that a user with suitable permissions may need to run it for first time to index ```IPSCAN_DATA``` dataset (e.g., with ```python3 /usr/local/interproscan/initial_setup.py```). You can use the very container images. Details here: https://interproscan-docs.readthedocs.io/en/5.48-83.0/HowToRun.html
* Depending on your setup, you may need to change ```SINGULARITY_TMPDIR``` (and ```SINGULARITY_CACHEDIR```) environment variables for pointing to a location with enough space. More details at: https://singularity.hpcng.org/admin-docs/master/installation.html
* When using Singularity ensure ```IPSCAN_DATA``` is in a ```bind path``` directory. More details at: https://singularity.hpcng.org/admin-docs/master/configfiles.html

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