From 02174065652573b614f0d2f7f5b34c7024f302f8 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Wed, 8 Oct 2025 04:10:52 +0000 Subject: [PATCH 1/6] Bump pyiron-atomistics from 0.7.20 to 0.8.1 Bumps [pyiron-atomistics](https://github.com/pyiron/pyiron_atomistics) from 0.7.20 to 0.8.1. - [Release notes](https://github.com/pyiron/pyiron_atomistics/releases) - [Changelog](https://github.com/pyiron/pyiron_atomistics/blob/main/CHANGELOG.md) - [Commits](https://github.com/pyiron/pyiron_atomistics/compare/pyiron_atomistics-0.7.20...pyiron_atomistics-0.8.1) --- updated-dependencies: - dependency-name: pyiron-atomistics dependency-version: 0.8.1 dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index e2e6ad90..e0e872d2 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,6 +1,6 @@ pyiron==0.5.2 pyiron-base==0.15.1 -pyiron-atomistics==0.7.20 +pyiron-atomistics==0.8.1 pyiron-continuum==0.0.8 pyiron-contrib==0.1.19 pyiron-experimental==0.0.3 From c9bc9347ad4715f083d7d67ca123f12e18164c81 Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Wed, 8 Oct 2025 04:11:08 +0000 Subject: [PATCH 2/6] [dependabot skip] Update environment --- md/environment.yml | 2 +- mpie_cmti/environment.yml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/md/environment.yml b/md/environment.yml index 1050756f..4a433462 100644 --- a/md/environment.yml +++ b/md/environment.yml @@ -3,7 +3,7 @@ channels: - nodefaults dependencies: - pyiron =0.5.2 -- pyiron_atomistics =0.7.20 +- pyiron_atomistics =0.8.1 - pyiron-data =0.0.30 - nglview =3.1.4 - lammps =2023.08.02=*openmpi* diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index 9f99ff17..17acac4f 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -28,7 +28,7 @@ dependencies: - psycopg2 =2.9.9 - pyiron =0.5.2 - pyiron-data =0.0.30 -- pyiron_atomistics =0.7.20 +- pyiron_atomistics =0.8.1 - pyiron_base =0.15.1 - pyiron_contrib =0.1.19 - pyiron_potentialfit =0.3.12 From fb1ab748e4cb148d25404d937e0b8381bcac563b Mon Sep 17 00:00:00 2001 From: Niklas Siemer <70580458+niklassiemer@users.noreply.github.com> Date: Thu, 9 Oct 2025 16:04:40 +0200 Subject: [PATCH 3/6] Update environment.yml --- mpie_cmti/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index 17acac4f..29eb75da 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -32,7 +32,7 @@ dependencies: - pyiron_base =0.15.1 - pyiron_contrib =0.1.19 - pyiron_potentialfit =0.3.12 -- pyiron_workflow =0.13.3 +- pyiron_workflow =0.15.3 - pyiron_gui =0.0.12 - pyironflow =0.0.20 - python-ace =0.3.0 From e5256fb7d2227c0c3a1d5b6159c4ba20e8f181f3 Mon Sep 17 00:00:00 2001 From: Niklas Siemer <70580458+niklassiemer@users.noreply.github.com> Date: Thu, 9 Oct 2025 16:04:56 +0200 Subject: [PATCH 4/6] Update requirements.txt --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index e0e872d2..bcf258de 100644 --- a/requirements.txt +++ b/requirements.txt @@ -4,7 +4,7 @@ pyiron-atomistics==0.8.1 pyiron-continuum==0.0.8 pyiron-contrib==0.1.19 pyiron-experimental==0.0.3 -pyiron-workflow==0.13.3 +pyiron-workflow==0.15.3 pyiron-potentialfit==0.3.12 pyironflow==0.0.20 aimsgb==1.1.1 From e18e41699f40e6601d7c34a09e017222f6c4101b Mon Sep 17 00:00:00 2001 From: Niklas Siemer <70580458+niklassiemer@users.noreply.github.com> Date: Wed, 15 Oct 2025 09:10:52 +0200 Subject: [PATCH 5/6] Update environment.yml --- mpie_cmti/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpie_cmti/environment.yml b/mpie_cmti/environment.yml index 29eb75da..8862d489 100644 --- a/mpie_cmti/environment.yml +++ b/mpie_cmti/environment.yml @@ -32,7 +32,7 @@ dependencies: - pyiron_base =0.15.1 - pyiron_contrib =0.1.19 - pyiron_potentialfit =0.3.12 -- pyiron_workflow =0.15.3 +- pyiron_workflow =0.15.4 - pyiron_gui =0.0.12 - pyironflow =0.0.20 - python-ace =0.3.0 From 8b9e2904b241b8f92dbe650c1d09c375e80f03fa Mon Sep 17 00:00:00 2001 From: Niklas Siemer <70580458+niklassiemer@users.noreply.github.com> Date: Wed, 15 Oct 2025 09:11:10 +0200 Subject: [PATCH 6/6] Update requirements.txt --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index bcf258de..884dac1e 100644 --- a/requirements.txt +++ b/requirements.txt @@ -4,7 +4,7 @@ pyiron-atomistics==0.8.1 pyiron-continuum==0.0.8 pyiron-contrib==0.1.19 pyiron-experimental==0.0.3 -pyiron-workflow==0.15.3 +pyiron-workflow==0.15.4 pyiron-potentialfit==0.3.12 pyironflow==0.0.20 aimsgb==1.1.1