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Feb 2019 Release #13479

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Feb 4, 2019
Merged

Feb 2019 Release #13479

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2 changes: 2 additions & 0 deletions recipes/biobb_analysis/build.sh
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Expand Up @@ -2,6 +2,8 @@

python3 setup.py install --single-version-externally-managed --record=record.txt

conda install -c ambermd ambertools

mkdir -p $PREFIX/bin

chmod u+x $SP_DIR/biobb_analysis/gromacs/rms.py
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18 changes: 8 additions & 10 deletions recipes/biobb_analysis/meta.yaml
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Expand Up @@ -20,14 +20,12 @@ requirements:
host:
- python >=3
- setuptools
- biobb_common >=0.0.8
- biopython
- biobb_common >=0.1.2
- gromacs >=2018.4
run:
- python >=3
- biobb_common >=0.0.8
- biopython


- biobb_common >=0.1.2
- gromacs >=2018.4
test:
imports:
- biobb_analysis
Expand All @@ -40,12 +38,12 @@ about:
license_family: APACHE
license_file: ''
summary: Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-analysis/badge/?version=latest)](https://biobb-analysis.readthedocs.io/en/latest/?badge=latest)\n[![Codacy Badge](https://api.codacy.com/project/badge/Grade/159c05eeeb094019b4ef0b4ab000d566)](https://www.codacy.com/app/andriopau/biobb_analysis?utm_source=github.com&utm_medium=referral&utm_content=bioexcel/biobb_analysis&utm_campaign=Badge_Grade)\n\
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-analysis/badge/?version=latest)](https://biobb-analysis.readthedocs.io/en/latest/?badge=latest)\n\
\n# biobb_analysis\n\n### Introduction\nBiobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.\nBiobb (BioExcel building blocks) packages are Python building blocks that\ncreate\
\ new layer of compatibility and interoperability over popular\nbioinformatics tools.\nThe latest documentation of this package can be found in our readthedocs site:\n[latest API documentation](http://biobb_analysis.readthedocs.io/en/latest/).\n\
\n### Version\nThis software is in Alpha version.\n\n### Copyright & Licensing\nThis software has been developed in the MMB group (http://mmb.irbbarcelona.org) at the\nBSC (http://www.bsc.es/) & IRB\
\ (https://www.irbbarcelona.org/) for the European BioExcel (http://bioexcel.eu/), funded by the European Commission\n(EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\n\n* (c) 2015-2018\
\ [Barcelona Supercomputing Center](https://www.bsc.es/)\n* (c) 2015-2018 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\n\nLicensed under the\n[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0),\
\n\n### Copyright & Licensing\nThis software has been developed in the MMB group (http://mmb.irbbarcelona.org) at the\nBSC (http://www.bsc.es/) & IRB\
\ (https://www.irbbarcelona.org/) for the European BioExcel (http://bioexcel.eu/), funded by the European Commission\n(EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\n\n* (c) 2015-2019\
\ [Barcelona Supercomputing Center](https://www.bsc.es/)\n* (c) 2015-2019 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\n\nLicensed under the\n[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0),\
\ see the file\n[LICENSE](LICENSE) for details.\n\n![](https://bioexcel.eu/wp-content/uploads/2015/12/Bioexcell_logo_1080px_transp.png \"Bioexcel\")\n\n\n"
doc_url: ''
dev_url: ''
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