recipe pyopenms

python bindings for OpenMS, an open-source software C++ library for LC-MS data management and analyses

Homepage:

https://github.com/OpenMS/OpenMS

License:

BSD

Recipe:

/pyopenms/meta.yaml

Links:

biotools: openms, doi: 10.1038/nmeth.3959

package pyopenms

Versions:

2.8.0-1,  2.8.0-0,  2.7.0-1,  2.6.0-0,  2.5.0-6,  2.5.0-5,  2.5.0-4,  2.5.0-3,  2.5.0-2, 

2.8.0-1,  2.8.0-0,  2.7.0-1,  2.6.0-0,  2.5.0-6,  2.5.0-5,  2.5.0-4,  2.5.0-3,  2.5.0-2,  2.5.0-1,  2.5.0-0,  2.4.0-3,  2.4.0-0

Depends:

• boost-cpp >=1.74.0,<1.74.1.0a0

• bzip2 >=1.0.8,<2.0a0

• coinmp >=1.8.4,<1.9.0a0

• eigen >=3.4.0,<3.5.0a0

• glpk >=4.65,<4.66.0a0

• hdf5 >=1.12.1,<1.13.0a0

• libgcc-ng >=12

• libopenms 2.8.0.*

• libstdcxx-ng >=12

• libsvm >=3.21,<3.22.0a0

• numpy 1.21.*

• numpy >=1.21.6,<2.0a0

• pandas

• python >=3.10,<3.11.0a0 *_cpython

• python_abi 3.10.* *_cp310

• qt >=5.12.9,<5.13.0a0

• sqlite >=3.39.4,<4.0a0

• xerces-c >=3.2.3,<3.3.0a0

• zlib >=1.2.12,<1.3.0a0

Required By:

• iptkl

• easypqp

• diapysef

• pypgatk

• pmultiqc

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install pyopenms

and update with:

conda update pyopenms

or use the docker container:

docker pull quay.io/biocontainers/pyopenms:<tag>

(see pyopenms/tags for valid values for <tag>)

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