About cctbx-base-feedstock

Feedstock license: BSD-3-Clause

Home: https://github.com/cctbx/cctbx_project

Package license: BSD-3-Clause-LBNL AND BSD-3-Clause AND BSL-1.0 AND LGPL-2.0-only AND LGPL-2.1-only AND LGPL-3.0-only AND MIT AND LGPL-2.0-or-later WITH WxWindows-exception-3.1

Summary: The Computational Crystallography Toolbox

Development: https://github.com/cctbx/cctbx_project

Documentation: https://cctbx.github.io/

The Computational Crystallography Toolbox (cctbx) is being developed as the open source component of the Phenix system. The goal of the Phenix project is to advance automation of macromolecular structure determination. Phenix depends on the cctbx, but not vice versa. This hierarchical approach enforces a clean design as a reusable library. The cctbx is therefore also useful for small-molecule crystallography and even general scientific applications.

Current build status

Azure

Variant Status linux_64_numpy2.0python3.10.____cpython linux_64_numpy2.0python3.11.____cpython linux_64_numpy2.0python3.12.____cpython linux_64_numpy2.0python3.9.____cpython linux_64_numpy2python3.13.____cp313 osx_64_numpy2.0python3.10.____cpython osx_64_numpy2.0python3.11.____cpython osx_64_numpy2.0python3.12.____cpython osx_64_numpy2.0python3.9.____cpython osx_64_numpy2python3.13.____cp313 osx_arm64_numpy2.0python3.10.____cpython osx_arm64_numpy2.0python3.11.____cpython osx_arm64_numpy2.0python3.12.____cpython osx_arm64_numpy2.0python3.9.____cpython osx_arm64_numpy2python3.13.____cp313 win_64_numpy2.0python3.10.____cpython win_64_numpy2.0python3.11.____cpython win_64_numpy2.0python3.12.____cpython win_64_numpy2.0python3.9.____cpython win_64_numpy2python3.13.____cp313

Current release info

Name	Downloads	Version	Platforms

Installing cctbx-base

Installing cctbx-base from the cctbx-nightly channel can be achieved by adding cctbx-nightly to your channels with:

conda config --add channels cctbx-nightly
conda config --set channel_priority strict

Once the cctbx-nightly channel has been enabled, cctbx, cctbx-base can be installed with conda:

conda install cctbx cctbx-base

or with mamba:

mamba install cctbx cctbx-base

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

conda search cctbx --channel cctbx-nightly

or with mamba:

mamba search cctbx --channel cctbx-nightly

Alternatively, mamba repoquery may provide more information:

# Search all versions available on your platform:
mamba repoquery search cctbx --channel cctbx-nightly

# List packages depending on `cctbx`:
mamba repoquery whoneeds cctbx --channel cctbx-nightly

# List dependencies of `cctbx`:
mamba repoquery depends cctbx --channel cctbx-nightly

Updating cctbx-base-feedstock

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

• @bkpoon
• @phyy-nx