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Gregor Entzian committed Feb 4, 2019
2 parents 2c3fed8 + b9561ff commit 719ebc2
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1 change: 0 additions & 1 deletion .circleci/setup.sh
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Expand Up @@ -53,7 +53,6 @@ if ! type bioconda-utils 2> /dev/null || [[ $BOOTSTRAP == "true" ]]; then
$WORKSPACE/miniconda/bin/conda config --system --add channels defaults
$WORKSPACE/miniconda/bin/conda config --system --add channels bioconda
$WORKSPACE/miniconda/bin/conda config --system --add channels conda-forge
$WORKSPACE/miniconda/bin/conda config --system --add channels conda-forge/label/cf201901

# step 3: install bioconda-utils
$WORKSPACE/miniconda/bin/conda install -y git pip --file https://raw.githubusercontent.com/bioconda/bioconda-utils/$BIOCONDA_UTILS_TAG/bioconda_utils/bioconda_utils-requirements.txt
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9 changes: 9 additions & 0 deletions build-fail-blacklist
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@@ -1,3 +1,12 @@
# Unclear that the following old versions are still needed
recipes/hmmer/2.3.2
recipes/bamtools/2.3.0
recipes/bowtie/1.1.1
recipes/fastqc/0.10.1
recipes/fastqc/0.11.2
recipes/fastqc/0.11.3
recipes/fastqc/0.11.6

# The build string needs to be modified to account for the [nocairo] feature
recipes/genometools-genometools/1.5.10-nocairo

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1 change: 0 additions & 1 deletion config.yml
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Expand Up @@ -7,7 +7,6 @@ blacklists:
# of .condarc, but when adding channels using conda config --add, they should
# be added in reverse (from low to high priority).
channels:
- conda-forge/label/cf201901
- conda-forge
- bioconda
- defaults
2 changes: 1 addition & 1 deletion recipes/bamtools/meta.yaml
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Expand Up @@ -9,7 +9,7 @@ source:
sha256: '{{sha256}}'

build:
number: 3
number: 4

requirements:
build:
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10 changes: 5 additions & 5 deletions recipes/bcbio-nextgen-vm/meta.yaml
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@@ -1,13 +1,13 @@
package:
name: bcbio-nextgen-vm
version: '0.1.2a'
version: '0.1.3'

build:
number: 1

source:
url: https://github.com/bcbio/bcbio-nextgen-vm/archive/c251103.tar.gz
sha256: ca54003f9ec1176b769474b3db804fdaad8339330aae6bb5091ed7bb473ee944
url: https://github.com/bcbio/bcbio-nextgen-vm/archive/9567250.tar.gz
sha256: 9ce190b921105a2a208db2e1d47bc4c8e056d95ae2475af13d5e587ab8e7cc4a

requirements:
host:
Expand All @@ -25,15 +25,15 @@ requirements:
- cachecontrol ==0.11.7
- pathlib2 ==2.3.2
- arvados-cwl-runner >=1.3.0.20181218191458 # [py2k and linux]
- cromwell >0.36
- cromwell >=0.36
- ruamel.yaml >=0.13.0
- rabix-bunny >=1.0.4
- nodejs
- nose
- sbg-cwl-runner # [py3k]
- sevenbridges-python >=0.17.5
- synapseclient
- dxpy # [py2k]
- dxpy
- dx-cwl >=0.1.0a20180820 # [py2k]
- six
- google-cloud-sdk
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8 changes: 4 additions & 4 deletions recipes/bcbio-nextgen/meta.yaml
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@@ -1,14 +1,14 @@
package:
name: bcbio-nextgen
version: '1.1.3'
version: '1.1.4a'

build:
number: 0

source:
url: https://pypi.io/packages/source/b/bcbio-nextgen/bcbio-nextgen-1.1.3.tar.gz
#url: https://github.com/bcbio/bcbio-nextgen/archive/c3287b5.tar.gz
sha256: df2e944e3a60daf33e382b1d00007d5ac1f794b2f1359c8944ade51ce59dae41
#url: https://pypi.io/packages/source/b/bcbio-nextgen/bcbio-nextgen-1.1.3.tar.gz
url: https://github.com/bcbio/bcbio-nextgen/archive/90c156d.tar.gz
sha256: 32473134c2061239df554fd9764d7f60486ce86849bb0233d3deb78f5a2cc20e

requirements:
host:
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4 changes: 2 additions & 2 deletions recipes/bcbio-variation-recall/meta.yaml
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@@ -1,12 +1,12 @@
{% set version="0.2.1" %}
{% set version="0.2.2" %}

package:
name: bcbio-variation-recall
version: {{ version }}

source:
url: https://github.com/chapmanb/bcbio.variation.recall/releases/download/v{{ version }}/bcbio-variation-recall
sha256: fc841b2f240772f83d14d206f6831bbadd61087c7fcf56df5ff2d7607ff4e45b
sha256: 31258179b23dd219aa3605730cccbdff32e9cc6158da76f0afc8b9065da76040

build:
number: 0
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2 changes: 1 addition & 1 deletion recipes/bcftools/1.2/meta.yaml
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Expand Up @@ -2,7 +2,7 @@ package:
name: bcftools
version: "1.2"
build:
number: 3
number: 4
source:
url: https://github.com/samtools/bcftools/releases/download/1.2/bcftools-1.2.tar.bz2
md5: 8044bed8fce62f7072fc6835420f0906
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2 changes: 1 addition & 1 deletion recipes/bcftools/1.3.1/meta.yaml
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Expand Up @@ -9,7 +9,7 @@ about:
VCF and BCF and streams will work in most, but not all situations.

build:
number: 3
number: 4

package:
name: bcftools
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2 changes: 1 addition & 1 deletion recipes/bcftools/1.3/meta.yaml
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Expand Up @@ -8,7 +8,7 @@ test:
- bcftools --version

build:
number: 2
number: 3

package:
name: bcftools
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2 changes: 1 addition & 1 deletion recipes/bcftools/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ about:
VCF and BCF and streams will work in most, but not all situations.

build:
number: 0
number: 1
package:
name: bcftools
version: {{ version }}
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.19.1/meta.yaml
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Expand Up @@ -4,7 +4,7 @@ about:
summary: 'A swiss army knife for genome arithmetic. https://github.com/arq5x/bedtools2 '

build:
number: 1
number: 2

package:
name: bedtools
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.20.1/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ about:
summary: 'A swiss army knife for genome arithmetic. https://github.com/arq5x/bedtools2 '

build:
number: 1
number: 2

package:
name: bedtools
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.22/meta.yaml
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Expand Up @@ -4,7 +4,7 @@ about:
summary: 'A swiss army knife for genome arithmetic. https://github.com/arq5x/bedtools2 '

build:
number: 1
number: 2

package:
name: bedtools
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.23.0/meta.yaml
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Expand Up @@ -3,7 +3,7 @@ about:
license: 'GPL v2'
summary: 'A swiss army knife for genome arithmetic. https://github.com/arq5x/bedtools2 '
build:
number: 1
number: 2
package:
name: bedtools
version: '2.23.0'
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.25/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ source:
sha256: d737ca42e7df76c5455d3e6e0562cdcb62336830eaad290fd4133a328a1ddacc

build:
number: 4
number: 5

requirements:
build:
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.26.0/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ source:
- 2.26.0_postrelease.patch

build:
number: 2
number: 3

requirements:
build:
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.27.0/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ source:
sha256: e4f0e5616d04ba5ac09c36dec989b1236a5712e67d0b6874ff5e144d7ed4ce60

build:
number: 2
number: 3

requirements:
build:
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2 changes: 1 addition & 1 deletion recipes/bedtools/2.27.1/meta.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ source:
sha256: c8c2acbaf3f9cb92dcf8e5cd59af6b31ae9c4598efb786ba6c84f66ca72fafd9

build:
number: 2
number: 3

requirements:
build:
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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
Original file line number Diff line number Diff line change
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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16 changes: 8 additions & 8 deletions recipes/biobb_common/meta.yaml
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
{% set name = "biobb_common" %}
{% set version = "0.0.8" %}
{% set version = "0.1.2" %}
{% set file_ext = "tar.gz" %}
{% set hash_type = "sha256" %}
{% set hash_value = "58e2babcf9c1523bff2d673c7b62df425517ddf17966cf3145873841706343e2" %}
{% set hash_value = "f3be96dc9923c1cbb6cf4a67f9f2a5d78ad8ccbef389c2025dc38ca414e00c1b" %}

package:
name: '{{ name|lower }}'
Expand All @@ -22,12 +22,12 @@ requirements:
- setuptools
- pyyaml
- requests
- biopython
- biopython >=1.72
run:
- python >=3
- pyyaml
- requests
- biopython
- biopython >=1.72

test:
imports:
Expand All @@ -42,12 +42,12 @@ about:
license_family: APACHE
license_file: ''
summary: Biobb_common is the base package required to use the biobb packages.
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-common/badge/?version=latest)](https://biobb-common.readthedocs.io/en/latest/?badge=latest)\n[![Codacy Badge](https://api.codacy.com/project/badge/Grade/8e5c5537c6234bff958171e273471879)](https://www.codacy.com/app/andriopau/biobb_common?utm_source=github.com&utm_medium=referral&utm_content=bioexcel/biobb_common&utm_campaign=Badge_Grade)\n\
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-common/badge/?version=latest)](https://biobb-common.readthedocs.io/en/latest/?badge=latest)\n\
\n# biobb_common\n\n### Introduction\nBiobb_common is the base package required to use the biobb\npackages.\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_common.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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17 changes: 7 additions & 10 deletions recipes/biobb_io/meta.yaml
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
{% set name = "biobb_io" %}
{% set version = "0.1.1" %}
{% set version = "0.1.3" %}
{% set file_ext = "tar.gz" %}
{% set hash_type = "sha256" %}
{% set hash_value = "b1d85c970bebce1c9c7c62a9e7e469a337c33aeb22083bf8e23f506e93b57b08" %}
{% set hash_value = "2314b417958b80c44107e6da5de9e53f5dbe8b364a1560b0b80cb8eca0f10539" %}

package:
name: '{{ name|lower }}'
Expand All @@ -20,13 +20,10 @@ requirements:
host:
- python >=3
- setuptools
- biobb_common >=0.0.8
- requests
- biobb_common >=0.1.2
run:
- python >=3
- biobb_common >=0.0.8
- requests

- biobb_common >=0.1.2
test:
imports:
- biobb_io
Expand All @@ -38,12 +35,12 @@ about:
license_family: APACHE
license_file: ''
summary: Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-io/badge/?version=latest)](https://biobb-io.readthedocs.io/en/latest/?badge=latest)\n[![Codacy Badge](https://api.codacy.com/project/badge/Grade/f98ed1286f244616bf39352e1877d310)](https://www.codacy.com/app/andriopau/biobb_io?utm_source=github.com&utm_medium=referral&utm_content=bioexcel/biobb_io&utm_campaign=Badge_Grade)\n\
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-io/badge/?version=latest)](https://biobb-io.readthedocs.io/en/latest/?badge=latest)\n\
\n# biobb_io\n\n### Introduction\nBiobb_io is the Biobb module collection to fetch data to be consumed by the\nrest of the Biobb building blocks.\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_io.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)\
\ API documentation](http://biobb_io.readthedocs.io/en/latest/).\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\
\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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22 changes: 10 additions & 12 deletions recipes/biobb_md/meta.yaml
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
{% set name = "biobb_md" %}
{% set version = "0.1.2" %}
{% set version = "0.1.4" %}
{% set file_ext = "tar.gz" %}
{% set hash_type = "sha256" %}
{% set hash_value = "e6c13d971d93635860742c7fb13d62c0debb2208b0577cd39e289dee7546ad1e" %}
{% set hash_value = "d364e8f0b7d960e64f8042f9ec14b418cad7d37f00ac4ef93c7bc2de8f21d771" %}

package:
name: '{{ name|lower }}'
Expand All @@ -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_md
Expand All @@ -40,12 +38,12 @@ about:
license_family: APACHE
license_file: ''
summary: Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-md/badge/?version=latest)](https://biobb-md.readthedocs.io/en/latest/?badge=latest)\n[![Codacy Badge](https://api.codacy.com/project/badge/Grade/159c05eeeb094019b4ef0b4ab000d566)](https://www.codacy.com/app/andriopau/biobb_md?utm_source=github.com&utm_medium=referral&utm_content=bioexcel/biobb_md&utm_campaign=Badge_Grade)\n\
description: "[![Documentation Status](https://readthedocs.org/projects/biobb-md/badge/?version=latest)](https://biobb-md.readthedocs.io/en/latest/?badge=latest)\n\
\n# biobb_md\n\n### Introduction\nBiobb_md is the Biobb module collection to perform 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_md.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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