From bb58f3e23bb1599970ee1db911a3db476ac29bdd Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:00:58 +0100 Subject: [PATCH 1/8] Update numpy version in environment configuration --- .ci_support/environment-integration.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-integration.yml b/.ci_support/environment-integration.yml index 47ef5803..61d20553 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -4,7 +4,7 @@ dependencies: - h5py =3.16.0 - jupyter - mpi4py =4.1.2 -- numpy =2.3.5 +- numpy =2.5.3 - openmpi - papermill - atomistics =0.3.6 From 701509c4a501fb8bb01f34719a1125f4b9b07bdb Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:01:16 +0100 Subject: [PATCH 2/8] Update numpy version to 2.5.3 --- .ci_support/environment-mini.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-mini.yml b/.ci_support/environment-mini.yml index 25d9f809..362e0c14 100644 --- a/.ci_support/environment-mini.yml +++ b/.ci_support/environment-mini.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.4.2 +- numpy =2.5.3 - cloudpickle =3.1.0 - hatchling =1.32.4 - hatch-vcs =0.5.0 From 65dc6bbf4b324a7c77d66df5aeb984d396028b7d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:01:33 +0100 Subject: [PATCH 3/8] Update numpy version to 2.5.3 in environment file --- .ci_support/environment-mpich.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index d01b170e..be99e367 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.4.2 +- numpy =2.5.3 - mpich - cloudpickle =3.1.2 - h5py =3.16.0 From 75dff7eca516c09a7a6193cc883e68b81c04b068 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:01:54 +0100 Subject: [PATCH 4/8] Update numpy version to 2.5.3 --- .ci_support/environment-openmpi.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index 68ca3419..7411166e 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.4.2 +- numpy =2.5.3 - openmpi - cloudpickle =3.1.2 - h5py =3.16.0 From 8e4121fc5f0e4b3243c6bd497c280ffdb554f4a1 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:02:11 +0100 Subject: [PATCH 5/8] Update numpy version to 2.5.3 in environment file --- .ci_support/environment-win.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-win.yml b/.ci_support/environment-win.yml index b785c3a5..59bf8672 100644 --- a/.ci_support/environment-win.yml +++ b/.ci_support/environment-win.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.4.2 +- numpy =2.5.3 - msmpi - cloudpickle =3.1.2 - h5py =3.16.0 From b9c72197ed0c470456ff8798cb6168a7665110f4 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:04:49 +0100 Subject: [PATCH 6/8] Remove Python 3.11 from pipeline.yml Removed Python 3.11 from the CI pipeline configuration. --- .github/workflows/pipeline.yml | 6 ------ 1 file changed, 6 deletions(-) diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index 4c8687a3..b5da3bf9 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -335,9 +335,6 @@ jobs: - operating-system: ubuntu-latest python-version: '3.12' - - operating-system: ubuntu-latest - python-version: '3.11' - steps: - uses: actions/checkout@v7 - uses: conda-incubator/setup-miniconda@v4 @@ -379,9 +376,6 @@ jobs: - operating-system: ubuntu-latest python-version: '3.12' - - operating-system: ubuntu-latest - python-version: '3.11' - steps: - uses: actions/checkout@v7 - uses: conda-incubator/setup-miniconda@v4 From 384b597af85d0804aae590da8dcd752ec4f794fa Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Oct 2026 07:08:21 +0100 Subject: [PATCH 7/8] Update atomistics version to 0.4.0 --- .ci_support/environment-integration.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-integration.yml b/.ci_support/environment-integration.yml index 61d20553..9b7b5238 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -7,7 +7,7 @@ dependencies: - numpy =2.5.3 - openmpi - papermill -- atomistics =0.3.6 +- atomistics =0.4.0 - cloudpickle =3.1.2 - flux-core =0.87.0 - flux-pmix =0.7.1 From 530188c865f6344116ff7f9358c2be8a9574b4c6 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Sun, 25 Oct 2026 06:42:50 +0000 Subject: [PATCH 8/8] Update NumPy pins to 2.5.4 Co-authored-by: jan-janssen <3854739+jan-janssen@users.noreply.github.com> --- .ci_support/environment-integration.yml | 2 +- .ci_support/environment-mini.yml | 2 +- .ci_support/environment-mpich.yml | 2 +- .ci_support/environment-openmpi.yml | 2 +- .ci_support/environment-win.yml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.ci_support/environment-integration.yml b/.ci_support/environment-integration.yml index 9b7b5238..b2c2e52d 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -4,7 +4,7 @@ dependencies: - h5py =3.16.0 - jupyter - mpi4py =4.1.2 -- numpy =2.5.3 +- numpy =2.5.4 - openmpi - papermill - atomistics =0.4.0 diff --git a/.ci_support/environment-mini.yml b/.ci_support/environment-mini.yml index 362e0c14..6ad94df3 100644 --- a/.ci_support/environment-mini.yml +++ b/.ci_support/environment-mini.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.5.3 +- numpy =2.5.4 - cloudpickle =3.1.0 - hatchling =1.32.4 - hatch-vcs =0.5.0 diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index be99e367..a26db5a4 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.5.3 +- numpy =2.5.4 - mpich - cloudpickle =3.1.2 - h5py =3.16.0 diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index 7411166e..70df524f 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.5.3 +- numpy =2.5.4 - openmpi - cloudpickle =3.1.2 - h5py =3.16.0 diff --git a/.ci_support/environment-win.yml b/.ci_support/environment-win.yml index 59bf8672..4e041596 100644 --- a/.ci_support/environment-win.yml +++ b/.ci_support/environment-win.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python -- numpy =2.5.3 +- numpy =2.5.4 - msmpi - cloudpickle =3.1.2 - h5py =3.16.0