/trexio-feedstock

A conda-smithy repository for trexio.

Primary LanguageShellBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

About trexio-feedstock

Feedstock license: BSD-3-Clause

Home: https://github.com/TREX-CoE/trexio

Package license: BSD-3-Clause

Summary: TREX library for efficient I/O

Development: https://github.com/TREX-CoE/trexio

Documentation: https://trex-coe.github.io/trexio/

The TREXIO library defines a standard format for storing wave functions, together with an C-compatible API such that it can be easily used in any programming language.

Current build status

Azure
VariantStatus
linux_64_mpinompi variant
linux_64_mpiopenmpi variant
osx_64_mpinompi variant
osx_64_mpiopenmpi variant
osx_arm64_mpinompi variant
osx_arm64_mpiopenmpi variant

Current release info

Name Downloads Version Platforms
Conda Recipe Conda Downloads Conda Version Conda Platforms

Installing trexio

Installing trexio from the conda-forge channel can be achieved by adding conda-forge to your channels with:

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

Once the conda-forge channel has been enabled, trexio can be installed with conda:

conda install trexio

or with mamba:

mamba install trexio

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

conda search trexio --channel conda-forge

or with mamba:

mamba search trexio --channel conda-forge

Alternatively, mamba repoquery may provide more information:

# Search all versions available on your platform:
mamba repoquery search trexio --channel conda-forge

# List packages depending on `trexio`:
mamba repoquery whoneeds trexio --channel conda-forge

# List dependencies of `trexio`:
mamba repoquery depends trexio --channel conda-forge

About conda-forge

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conda-forge is a community-led conda channel of installable packages. In order to provide high-quality builds, the process has been automated into the conda-forge GitHub organization. The conda-forge organization contains one repository for each of the installable packages. Such a repository is known as a feedstock.

A feedstock is made up of a conda recipe (the instructions on what and how to build the package) and the necessary configurations for automatic building using freely available continuous integration services. Thanks to the awesome service provided by Azure, GitHub, CircleCI, AppVeyor, Drone, and TravisCI it is possible to build and upload installable packages to the conda-forge Anaconda-Cloud channel for Linux, Windows and OSX respectively.

To manage the continuous integration and simplify feedstock maintenance conda-smithy has been developed. Using the conda-forge.yml within this repository, it is possible to re-render all of this feedstock's supporting files (e.g. the CI configuration files) with conda smithy rerender.

For more information please check the conda-forge documentation.

Terminology

feedstock - the conda recipe (raw material), supporting scripts and CI configuration.

conda-smithy - the tool which helps orchestrate the feedstock. Its primary use is in the construction of the CI .yml files and simplify the management of many feedstocks.

conda-forge - the place where the feedstock and smithy live and work to produce the finished article (built conda distributions)

Updating trexio-feedstock

If you would like to improve the trexio 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 conda-forge channel, whereupon the built conda packages will be available for everybody to install and use from the conda-forge channel. Note that all branches in the conda-forge/trexio-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