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:

3.2.0-1,  3.2.0-0,  3.1.0-0,  3.0.0-0,  2.9.1-3,  2.9.1-1,  2.9.1-0,  2.8.0-1,  2.8.0-0, 

3.2.0-1,  3.2.0-0,  3.1.0-0,  3.0.0-0,  2.9.1-3,  2.9.1-1,  2.9.1-0,  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 __glibc:

>=2.17,<3.0.a0

depends boost-cpp:

>=1.85.0,<1.86.0a0

depends bzip2:

>=1.0.8,<1.1.0a0

depends coinmp:

>=1.8.4,<1.9.0a0

depends eigen:

>=3.3.4

depends eigen:

>=3.4.0,<3.5.0a0

depends hdf5:

>=1.14.3,<1.15.0a0

depends icu:

>=73.2,<74.0a0

depends libgcc:

>=12

depends libopenms:

3.2.0.*

depends libopenms:

>=3.2.0

depends libstdcxx:

>=12

depends libsvm:

>=332,<333.0a0

depends matplotlib-base:

depends numpy:

>=1.21,<3

depends numpy:

>=1.23.*

depends pandas:

depends python:

>=3.12,<3.13.0a0

depends python_abi:

3.12.* *_cp312

depends qt-main:

>=5.15.8

depends qt-main:

>=5.15.8,<5.16.0a0

depends sysroot_linux-64:

2.17.*

depends xerces-c:

>=3.2.5,<3.3.0a0

depends zlib:

>=1.2.13,<1.3.0a0

requirements:

additional platforms:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install pyopenms

and update with::

   mamba update pyopenms

To create a new environment, run:

mamba create --name myenvname pyopenms

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

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

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

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