From 0daaa4c835bad4c507bebd13af88a18f51308477 Mon Sep 17 00:00:00 2001 From: Lorenzo <79980269+bastonero@users.noreply.github.com> Date: Wed, 11 Sep 2024 14:55:22 +0200 Subject: [PATCH] Deps: constrain phonopy and spglib versions Tests fail with recent versions of phonopy and spglib. From spglib v2.5, some API and functionality have changed, and phonopy seems to not be functioning as expected since v2.26 onwards. --- .github/workflows/ci.yml | 4 ++-- pyproject.toml | 3 ++- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index c577333..13c101d 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -37,7 +37,7 @@ jobs: strategy: matrix: - python-version: ['3.10'] + python-version: ['3.10','3.12'] services: rabbitmq: @@ -75,6 +75,6 @@ jobs: uses: codecov/codecov-action@v3 with: token: ${{ secrets.CODECOV_TOKEN }} - name: pytests-vibroscopy3.9 + name: pytests-vibroscopy3.10 flags: pytests fail_ci_if_error: true diff --git a/pyproject.toml b/pyproject.toml index 6cfabeb..56542ad 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -28,7 +28,8 @@ dependencies = [ "aiida-core>=2.2.2,<3.0.0", "aiida-quantumespresso>=4.3.0", "aiida-phonopy>=1.1.3", - "phonopy>=2.19.0,<3.0.0", + "spglib<2.5", + "phonopy>=2.19.0,<=2.25.0", ] [project.urls]