About metatrain-feedstock

Feedstock license: BSD-3-Clause

Home: https://github.com/metatensor/metatrain

Package license: BSD-3-Clause

Summary: Training and evaluating machine learning models for atomistic systems.

Documentation: https://metatensor.github.io/metatrain

Current build status

All platforms:

Current release info

Name	Downloads	Version	Platforms

Installing metatrain

Installing metatrain 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, metatrain can be installed with conda:

conda install metatrain

or with mamba:

mamba install metatrain

It is possible to list all of the versions of metatrain available on your platform with conda:

conda search metatrain --channel metatensor

or with mamba:

mamba search metatrain --channel metatensor

Alternatively, mamba repoquery may provide more information:

# Search all versions available on your platform:
mamba repoquery search metatrain --channel metatensor

# List packages depending on `metatrain`:
mamba repoquery whoneeds metatrain --channel metatensor

# List dependencies of `metatrain`:
mamba repoquery depends metatrain --channel metatensor

Updating metatrain-feedstock

If you would like to improve the metatrain 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/metatrain-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

• @Luthaf