From 1dfc9e4f7bbddaf5d93fe9b09b425ca1be6a58f4 Mon Sep 17 00:00:00 2001 From: Janosh Riebesell Date: Thu, 8 Aug 2024 09:16:43 -0400 Subject: [PATCH] bump optional dep pin abinit = ["netcdf4>=1.7.1"] temp install delvewheel>=1.7.4 in CI --- .github/workflows/test.yml | 5 +++-- pyproject.toml | 2 +- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index b6d5930dd17..b661a3ac36f 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -35,11 +35,11 @@ jobs: resolution: highest extras: ci,optional - os: ubuntu-latest - python: '>3.9' + python: ">3.9" resolution: lowest-direct extras: ci,optional - os: macos-latest - python: '3.10' + python: "3.10" resolution: lowest-direct extras: ci # test with only required dependencies installed @@ -79,6 +79,7 @@ jobs: # track https://github.com/astral-sh/uv/issues/1921 for resolution pip install torch --upgrade + uv pip install "delvewheel>=1.7.4" # TODO remove following new netcdf4 release, currently on 1.7.1 uv pip install numpy cython uv pip install --editable '.[${{ matrix.config.extras }}]' --resolution=${{ matrix.config.resolution }} diff --git a/pyproject.toml b/pyproject.toml index 09df40737a4..c0f30574c50 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -90,7 +90,7 @@ ase = ["ase>=3.23.0"] # don't depend on tblite above 3.11 since unsupported https://github.com/tblite/tblite/issues/175 tblite = ["tblite[ase]>=0.3.0; python_version<'3.12'"] vis = ["vtk>=6.0.0"] -abinit = ["netcdf4>=1.6.5"] +abinit = ["netcdf4>=1.7.1"] mlp = ["chgnet>=0.3.8", "matgl>=1.1.1"] electronic_structure = ["fdint>=2.0.2"] ci = ["pytest-cov>=4", "pytest-split>=0.8", "pytest>=8"]