recipe vinalc

VinaLC: MPI-accelerated molecular docking program for virtual screening.

Homepage:

https://github.com/XiaohuaZhangLLNL/VinaLC

License:

APACHE / Apache-2.0

Recipe:

/vinalc/meta.yaml

package vinalc

versions:

1.4.2-0

depends boost-cpp:

depends libboost:

depends libboost-mpi:

depends libgcc:

>=13

depends libstdcxx:

>=13

depends libzlib:

>=1.3.1,<2.0a0

depends mpich:

>=4.3.1,<5.0a0

depends mpich-mpicxx:

requirements:

additional platforms:

linux-aarch64

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 vinalc

and update with::

   mamba update vinalc

To create a new environment, run:

mamba create --name myenvname vinalc

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/vinalc:<tag>

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

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