diff --git a/.github/workflows/full-stack.yaml b/.github/workflows/full-stack.yaml index 8407c94..f17828d 100644 --- a/.github/workflows/full-stack.yaml +++ b/.github/workflows/full-stack.yaml @@ -63,12 +63,6 @@ jobs: repository: openforcefield/openff-units path: openff-units - - name: Checkout OpenFF Models - uses: actions/checkout@v4 - with: - repository: openforcefield/openff-models - path: openff-models - - name: Set up conda environment uses: mamba-org/setup-micromamba@v1 with: @@ -87,8 +81,7 @@ jobs: openff-interchange/ \ openff-interchange/plugins/ \ openff-qcsubmit/ \ - openff-units/ \ - openff-models/ + openff-units/ - name: Run 'everything all at once' tests run: | diff --git a/README.md b/README.md index fdfb491..ddec80a 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,6 @@ Full-stack status: | [**OpenFF QCSubmit**](https://github.com/openforcefield/openff-qcsubmit) | [@j-wags] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13315560.svg)](https://doi.org/10.5281/zenodo.13315560) | [![CI](https://github.com/openforcefield/openff-qcsubmit/actions/workflows/CI.yml/badge.svg)](https://github.com/openforcefield/openff-qcsubmit/actions/workflows/CI.yml) | [![Documentation Status](https://readthedocs.org/projects/openff-qcsubmit/badge/?version=latest)](https://openff-qcsubmit.readthedocs.io/en/latest/?badge=latest) | [![codecov](https://codecov.io/gh/openforcefield/openff-qcsubmit/branch/main/graph/badge.svg)](https://codecov.io/gh/openforcefield/openff-qcsubmit/branch/main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-qcsubmit/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-qcsubmit/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-qcsubmit.svg)](https://anaconda.org/conda-forge/openff-qcsubmit) | [**OpenFF Interchange**](https://github.com/openforcefield/openff-interchange) | [@mattwthompson] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13381538.svg)](https://doi.org/10.5281/zenodo.13381538) | [![ci](https://github.com/openforcefield/openff-interchange/actions/workflows/ci.yaml/badge.svg)](https://github.com/openforcefield/openff-interchange/actions/workflows/ci.yaml) | [![Documentation Status](https://readthedocs.org/projects/openff-interchange/badge/?version=latest)](https://openff-interchange.readthedocs.io/en/latest/?badge=latest) | [![codecov.io](https://codecov.io/github/openforcefield/openff-interchange/coverage.svg?branch=main)](https://codecov.io/github/openforcefield/openff-interchange?branch=main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-interchange/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-interchange/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-interchange.svg)](https://anaconda.org/conda-forge/openff-interchange) | | [**OpenFF Units**](https://github.com/openforcefield/openff-units) | [@mattwthompson] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10870097.svg)](https://doi.org/10.5281/zenodo.10870097) | [![CI](https://github.com/openforcefield/openff-units/actions/workflows/ci.yaml/badge.svg)](https://github.com/openforcefield/openff-units/actions/workflows/ci.yaml) | [![Documentation Status](https://readthedocs.org/projects/openff-units/badge/?version=latest)](https://openff-units.readthedocs.io/en/latest/?badge=latest) | [![codecov.io](https://codecov.io/github/openforcefield/openff-units/coverage.svg?branch=main)](https://codecov.io/github/openforcefield/openff-units?branch=main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-units/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-units/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-units.svg)](https://anaconda.org/conda-forge/openff-units) -| [**OpenFF Models**](https://github.com/openforcefield/openff-models) | [@mattwthompson] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10607759.svg)](https://doi.org/10.5281/zenodo.10607759) | [![CI](https://github.com/openforcefield/openff-models/actions/workflows/ci.yaml/badge.svg)](https://github.com/openforcefield/openff-models/actions/workflows/ci.yaml) | | [![codecov.io](https://codecov.io/github/openforcefield/openff-models/coverage.svg?branch=main)](https://codecov.io/github/openforcefield/openff-models?branch=main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-models/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-models/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-models.svg)](https://anaconda.org/conda-forge/openff-models) | [**OpenFF Utilities**](https://github.com/openforcefield/openff-utilities) | [@mattwthompson] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10384990.svg)](https://doi.org/10.5281/zenodo.10384990) | [![CI](https://github.com/openforcefield/openff-utilities/actions/workflows/ci.yaml/badge.svg)](https://github.com/openforcefield/openff-utilities/actions/workflows/ci.yaml) | | [![codecov.io](https://codecov.io/github/openforcefield/openff-utilities/coverage.svg?branch=main)](https://codecov.io/github/openforcefield/openff-utilities?branch=main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-utilities/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-utilities/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-utilities.svg)](https://anaconda.org/conda-forge/openff-utilities) | [**OpenFF BespokeFit**](https://github.com/openforcefield/openff-bespokefit) | [@j-wags] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10888172.svg)](https://doi.org/10.5281/zenodo.10888172) | [![CI](https://github.com/openforcefield/openff-bespokefit/actions/workflows/CI.yaml/badge.svg)](https://github.com/openforcefield/openff-bespokefit/actions/workflows/CI.yaml) | [![Documentation Status](https://readthedocs.org/projects/openff-bespokefit/badge/?version=stable)](https://docs.openforcefield.org/projects/bespokefit/en/stable/?badge=stable) | [![codecov](https://codecov.io/gh/openforcefield/openff-bespokefit/branch/main/graph/badge.svg)](https://codecov.io/gh/openforcefield/openff-bespokefit/branch/main) [![pre-commit.ci status](https://results.pre-commit.ci/badge/github/openforcefield/openff-bespokefit/main.svg)](https://results.pre-commit.ci/latest/github/openforcefield/openff-bespokefit/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-bespokefit.svg)](https://anaconda.org/conda-forge/openff-bespokefit) | [**OpenFF NAGL**](https://github.com/openforcefield/openff-nagl) | [@lilyminium] | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12792526.svg)](https://doi.org/10.5281/zenodo.12792526) | [![GH Actions CI](https://github.com/openforcefield/openff-nagl/actions/workflows/gh-ci.yaml/badge.svg)](https://github.com/openforcefield/openff-nagl/actions/workflows/gh-ci.yaml) | [![Documentation Status](https://readthedocs.org/projects/openff-nagl/badge/?version=stable)](https://docs.openforcefield.org/projects/nagl/en/stable/?badge=stable) | [![codecov](https://codecov.io/gh/openforcefield/openff-nagl/branch/main/graph/badge.svg)](https://codecov.io/gh/openforcefield/openff-nagl/branch/main) | [![conda-forge](https://img.shields.io/conda/v/conda-forge/openff-nagl.svg)](https://anaconda.org/conda-forge/openff-nagl) @@ -49,6 +48,7 @@ Full-stack status: * [**`CMILES`**](https://github.com/openforcefield/cmiles): [As of May 2021](https://github.com/openforcefield/cmiles/tree/9befbd02c93525f90c2f4af12e951d90cb9618b1#cmiles-is-no-longer-actively-maintained) all functionality in CMILES is available elsewhere and it is no longer actively maintained. * [**`OpenFF CLI`**](https://github.com/openforcefield/openff-cli): This project stalled in an experimental phase. A CLI produced by OpenFF may be avaible in the future. +* [**`openff-models`**](https://github.com/openforcefield/openff-models): With the release of Interchange 0.4, this project is no longer used internally. **Note:** *This repository was previously planned to be used as a 'metapackage' to facilitate importing all packages built by the consortium under a single umbrella. This is no longer the case as the built-in python namespaces will be used instead. The commit history for this repository as a 'metapackage' is stored at commit [3ada687](3ada68743104d49f7ee03c933fde6af3ce78d972)*.