From 8e1111df9284b30a2f8c5a2eecb7973f90047683 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Fri, 3 Oct 2025 14:50:07 +0000 Subject: [PATCH 1/7] Bump mpi4py from 4.0.1 to 4.1.0 Bumps [mpi4py](https://github.com/mpi4py/mpi4py) from 4.0.1 to 4.1.0. - [Release notes](https://github.com/mpi4py/mpi4py/releases) - [Changelog](https://github.com/mpi4py/mpi4py/blob/master/CHANGES.rst) - [Commits](https://github.com/mpi4py/mpi4py/compare/4.0.1...4.1.0) --- updated-dependencies: - dependency-name: mpi4py dependency-version: 4.1.0 dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- pyproject.toml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 563ae94c..8d20b3ae 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -50,13 +50,13 @@ graphnotebook = [ "networkx==3.4.2", "ipython==9.0.2", ] -mpi = ["mpi4py==4.0.1"] +mpi = ["mpi4py==4.1.0"] cluster = [ "pysqa==0.3.2", "h5py==3.14.0", ] all = [ - "mpi4py==4.0.1", + "mpi4py==4.1.0", "pysqa==0.3.2", "h5py==3.14.0", "pygraphviz==1.14", From bd3c08aa975bf6da56857e3fb26fa269db14a82d Mon Sep 17 00:00:00 2001 From: pyironrunner Date: Fri, 3 Oct 2025 14:50:17 +0000 Subject: [PATCH 2/7] [dependabot skip] Update environment --- .ci_support/environment-docs.yml | 2 +- .ci_support/environment-mpich.yml | 2 +- .ci_support/environment-openmpi.yml | 2 +- .ci_support/environment-win.yml | 2 +- binder/environment.yml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 0d48a2a8..8b525139 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -13,6 +13,6 @@ dependencies: - cloudpickle =3.1.1 - h5py =3.14.0 - jupyter-book =1.0.0 -- mpi4py =4.0.1 +- mpi4py =4.1.0 - python =3.12 - pyzmq =27.1.0 diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index a9cdb168..8c10cc1e 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -9,7 +9,7 @@ dependencies: - hatchling =1.27.0 - hatch-vcs =0.5.0 - ipython =9.0.2 -- mpi4py =4.0.1 +- mpi4py =4.1.0 - networkx =3.4.2 - pygraphviz =1.14 - pysqa =0.3.2 diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index 719d48c2..f75f51be 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -9,7 +9,7 @@ dependencies: - hatchling =1.27.0 - hatch-vcs =0.5.0 - ipython =9.0.2 -- mpi4py =4.0.1 +- mpi4py =4.1.0 - networkx =3.4.2 - pygraphviz =1.14 - pysqa =0.3.2 diff --git a/.ci_support/environment-win.yml b/.ci_support/environment-win.yml index 436b82f0..903b24cf 100644 --- a/.ci_support/environment-win.yml +++ b/.ci_support/environment-win.yml @@ -9,7 +9,7 @@ dependencies: - hatchling =1.27.0 - hatch-vcs =0.5.0 - ipython =9.0.2 -- mpi4py =4.0.1 +- mpi4py =4.1.0 - networkx =3.4.2 - pygraphviz =1.14 - pyzmq =27.1.0 diff --git a/binder/environment.yml b/binder/environment.yml index 8bb75aef..0695b6aa 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -12,7 +12,7 @@ dependencies: - h5py =3.12.1 - ipython =9.0.2 - matplotlib =3.10.0 -- mpi4py =4.0.1 +- mpi4py =4.1.0 - networkx =3.4.2 - pygraphviz =1.14 - pysqa =0.3.2 From a9350fb6ade9f4455fb88f8faeae4237e021bdef Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 3 Oct 2025 16:55:08 +0200 Subject: [PATCH 3/7] Update pipeline.yml --- .github/workflows/pipeline.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index 96aaabb1..987c884a 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -198,7 +198,7 @@ jobs: shell: bash -l {0} timeout-minutes: 5 run: | - echo -e '- coverage\n- flux-core =0.59.0'>> .ci_support/environment-mpich.yml + echo -e '- coverage\n- flux-core =0.64.0'>> .ci_support/environment-mpich.yml cat .ci_support/environment-mpich.yml - uses: conda-incubator/setup-miniconda@v3 with: @@ -229,7 +229,7 @@ jobs: shell: bash -l {0} timeout-minutes: 5 run: | - echo -e '- coverage\n- flux-core =0.59.0\n- flux-pmix=0.5.0' >> .ci_support/environment-openmpi.yml + echo -e '- coverage\n- flux-core =0.64.0\n- flux-pmix=0.5.0' >> .ci_support/environment-openmpi.yml cat .ci_support/environment-openmpi.yml - uses: conda-incubator/setup-miniconda@v3 with: From e3203b9ea42934e7c15f2106c7097d11db2892c9 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 3 Oct 2025 17:22:20 +0200 Subject: [PATCH 4/7] Update environment-integration.yml --- .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 39eb1fdd..09244d57 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -9,7 +9,7 @@ dependencies: - papermill - atomistics =0.2.5 - cloudpickle =3.1.1 -- flux-core =0.59.0 +- flux-core =0.64.0 - gpaw =24.6.0 - gpaw-data <1 - hatchling =1.27.0 From dbd9cde10e7131878b99ae640567d11d7704dcf9 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 3 Oct 2025 17:22:39 +0200 Subject: [PATCH 5/7] Update environment-integration.yml --- .ci_support/environment-integration.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.ci_support/environment-integration.yml b/.ci_support/environment-integration.yml index 09244d57..5e6581d1 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -10,8 +10,7 @@ dependencies: - atomistics =0.2.5 - cloudpickle =3.1.1 - flux-core =0.64.0 -- gpaw =24.6.0 -- gpaw-data <1 +- gpaw =25.7.0 - hatchling =1.27.0 - hatch-vcs =0.5.0 - ipython =9.0.2 From 8e0958bb9154f4a5c8a4549797fc1f4c990162b1 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 3 Oct 2025 17:23:44 +0200 Subject: [PATCH 6/7] Update environment.yml --- binder/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/binder/environment.yml b/binder/environment.yml index 0695b6aa..53571720 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -5,7 +5,7 @@ dependencies: - numpy - openmpi - cloudpickle =3.1.1 -- flux-core =0.59.0 +- flux-core =0.64.0 - flux-pmix =0.5.0 - hatchling =1.27.0 - hatch-vcs =0.5.0 From 7f449028af781bd47a5ef3bcd29f09060fb87f3a Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 3 Oct 2025 20:10:17 +0200 Subject: [PATCH 7/7] Update environment-integration.yml --- .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 5e6581d1..a3d55fd9 100644 --- a/.ci_support/environment-integration.yml +++ b/.ci_support/environment-integration.yml @@ -7,7 +7,7 @@ dependencies: - numpy - openmpi - papermill -- atomistics =0.2.5 +- atomistics =0.3.0 - cloudpickle =3.1.1 - flux-core =0.64.0 - gpaw =25.7.0