From 6b44368ffb5e9b4173a61e441ae563b732c9055f Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 16 Jul 2026 09:30:45 +0200 Subject: [PATCH 1/3] Update scipy to 1.18.0 --- .ci_support/environment-docs.yml | 2 +- .ci_support/environment-mini.yml | 2 +- .ci_support/environment.yml | 2 +- binder/environment.yml | 2 +- pyproject.toml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 2f5f6bf63..f894a09b8 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -3,7 +3,7 @@ channels: dependencies: - ase =3.29.0 - numpy =2.4.6 -- scipy =1.17.1 +- scipy =1.18.0 - hatchling =1.31.0 - hatch-vcs =0.5.0 - myst-parser diff --git a/.ci_support/environment-mini.yml b/.ci_support/environment-mini.yml index aa434f055..08cd70272 100644 --- a/.ci_support/environment-mini.yml +++ b/.ci_support/environment-mini.yml @@ -4,6 +4,6 @@ dependencies: - ase =3.29.0 - coverage - numpy =2.4.6 -- scipy =1.17.1 +- scipy =1.18.0 - hatchling =1.31.0 - hatch-vcs =0.5.0 diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 05128967c..729add561 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -15,7 +15,7 @@ dependencies: - pymatgen =2026.3.23 - pyscal3 =3.3.2 - scikit-learn =1.8.0 -- scipy =1.17.1 +- scipy =1.18.0 - spglib =2.7.0 - sqsgenerator =0.5.5 - hatchling =1.31.0 diff --git a/binder/environment.yml b/binder/environment.yml index 416dd91fe..18fd19589 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -13,7 +13,7 @@ dependencies: - pymatgen =2026.3.23 - pyscal3 =3.3.2 - scikit-learn =1.8.0 -- scipy =1.17.1 +- scipy =1.18.0 - spglib =2.7.0 - sqsgenerator =0.5.5 - setuptools <80 diff --git a/pyproject.toml b/pyproject.toml index b73ab9bd2..938326285 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ classifiers = [ dependencies = [ "ase==3.29.0", "numpy==2.4.6", - "scipy==1.17.1", + "scipy==1.18.0", ] dynamic = ["version"] From 24ac3b1c31578540e7bd4334f889b3e7ab5352bd Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 16 Jul 2026 09:38:01 +0200 Subject: [PATCH 2/3] Update python version --- .github/workflows/pipeline.yml | 8 ++------ 1 file changed, 2 insertions(+), 6 deletions(-) diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index 1901e8952..a053f0c32 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -48,7 +48,7 @@ jobs: - name: Setup Python uses: actions/setup-python@v5 with: - python-version: "3.13" + python-version: "3.14" architecture: x64 - name: Checkout uses: actions/checkout@v4 @@ -123,7 +123,7 @@ jobs: - name: Setup Mambaforge uses: conda-incubator/setup-miniconda@v3 with: - python-version: "3.12" + python-version: "3.14" miniforge-version: latest channels: conda-forge conda-remove-defaults: "true" @@ -161,10 +161,6 @@ jobs: python-version: '3.12' label: linux-64-py-3-12 - - operating-system: ubuntu-latest - python-version: '3.11' - label: linux-64-py-3-11 - steps: - uses: actions/checkout@v4 - name: Merge conda environment From c2e50db93464612a9d1487ccaaa8d705679fa37b Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Thu, 16 Jul 2026 09:46:31 +0200 Subject: [PATCH 3/3] always use python 3.14 --- binder/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/binder/environment.yml b/binder/environment.yml index 18fd19589..81d7877e7 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -1,7 +1,7 @@ channels: - conda-forge dependencies: -- python =3.12 +- python =3.14 - aimsgb =1.1.1 - ase =3.29.0 - dscribe =2.1.2