About py-plumed-metatomic-feedstock

Feedstock license: BSD-3-Clause

Home: http://www.plumed.org/

Package license: LGPL-3.0

Summary: Python wrappers for plumed library

Development: https://github.com/plumed/plumed2

Documentation: https://www.plumed.org/doc

PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. This version enables the metatomic integration.

Current build status

Current release info

Name	Downloads	Version	Platforms

Installing py-plumed-metatomic

Installing py-plumed-metatomic from the metatensor channel can be achieved by adding metatensor to your channels with:

conda config --add channels metatensor
conda config --set channel_priority strict

Once the metatensor channel has been enabled, py-plumed-metatomic can be installed with conda:

conda install py-plumed-metatomic

or with mamba:

mamba install py-plumed-metatomic

It is possible to list all of the versions of py-plumed-metatomic available on your platform with conda:

conda search py-plumed-metatomic --channel metatensor

or with mamba:

mamba search py-plumed-metatomic --channel metatensor

Alternatively, mamba repoquery may provide more information:

# Search all versions available on your platform:
mamba repoquery search py-plumed-metatomic --channel metatensor

# List packages depending on `py-plumed-metatomic`:
mamba repoquery whoneeds py-plumed-metatomic --channel metatensor

# List dependencies of `py-plumed-metatomic`:
mamba repoquery depends py-plumed-metatomic --channel metatensor

Updating py-plumed-metatomic-feedstock

If you would like to improve the py-plumed-metatomic recipe or build a new package version, please fork this repository and submit a PR. Upon submission, your changes will be run on the appropriate platforms to give the reviewer an opportunity to confirm that the changes result in a successful build. Once merged, the recipe will be re-built and uploaded automatically to the metatensor channel, whereupon the built conda packages will be available for everybody to install and use from the metatensor channel. Note that all branches in the metatensor/py-plumed-metatomic-feedstock are immediately built and any created packages are uploaded, so PRs should be based on branches in forks and branches in the main repository should only be used to build distinct package versions.

In order to produce a uniquely identifiable distribution:

• If the version of a package is not being increased, please add or increase the build/number.
• If the version of a package is being increased, please remember to return the build/number back to 0.

Feedstock Maintainers

• @HaoZeke
• @Luthaf