diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 3761ebb96..7179e3779 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -87,17 +87,17 @@ jobs: - name: "Install" run: python -m pip install --no-deps -e . - - name: "Test imports" - run: | - # if we add more to this, consider changing to for + env vars - python -Ic "import openfe; print(openfe.__version__)" - - name: "Environment Information" run: | micromamba info micromamba list pip list + - name: "Test imports" + run: | + # if we add more to this, consider changing to for + env vars + python -Ic "import openfe; print(openfe.__version__)" + - name: "Run tests" env: # Set the OFE_SLOW_TESTS to True if running a Cron job diff --git a/devtools/installer/construct.yaml b/devtools/installer/construct.yaml index c863c1d2e..755add0fc 100644 --- a/devtools/installer/construct.yaml +++ b/devtools/installer/construct.yaml @@ -21,7 +21,7 @@ specs: - pytest-xdist # python needs to match https://github.com/googlecolab/backend-info/blob/main/os-info.txt # until colab pushes a fix - - python 3.11.12 + - python 3.12.11 # Not building an .exe for windows or a .pkg for macOS installer_type: sh diff --git a/docs/CHANGELOG.rst b/docs/CHANGELOG.rst index 110afde35..8032df6cd 100644 --- a/docs/CHANGELOG.rst +++ b/docs/CHANGELOG.rst @@ -4,6 +4,25 @@ Changelog .. current developments +v1.6.1 +==================== +This release includes minor fixes and updates to tests. + +**Added:** + +* Added a cookbook for using ``jq`` to inspect JSON files. + +**Changed:** + +* Remove unnecessary limit on residues ids (``resids``) when getting mappings from topology in ``topology_helpers.py`` utility module. +* The relative hybrid topology protocol no longer runs the FIRE minimizer when ``dry=True``. + +**Fixed:** + +* Updated tests to expect to find NAGL, now that it is supported. + + + v1.6.0 ==================== This release adds support for OpenMM 8.3.0 and Python 3.13.