From b3c6e283fc8f2c3d7aedb3602f58d6b024251a4e Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 12 Feb 2024 08:21:48 +0000 Subject: [PATCH 1/8] Bump numpy from 1.26.3 to 1.26.4 Bumps [numpy](https://github.com/numpy/numpy) from 1.26.3 to 1.26.4. - [Release notes](https://github.com/numpy/numpy/releases) - [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst) - [Commits](https://github.com/numpy/numpy/compare/v1.26.3...v1.26.4) --- updated-dependencies: - dependency-name: numpy dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 88a6e1977..a070d377f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -31,7 +31,7 @@ dependencies = [ "matplotlib==3.8.2", "mendeleev==0.15.0", "mp-api==0.39.5", - "numpy==1.26.3", + "numpy==1.26.4", "pandas==2.2.0", "phonopy==2.21.0", "pint==0.23", From a533722f26d69a9180dbc4cf3238b49ce3ada5ca Mon Sep 17 00:00:00 2001 From: "github-actions[bot]" <41898282+github-actions[bot]@users.noreply.github.com> Date: Mon, 12 Feb 2024 08:29:52 +0000 Subject: [PATCH 2/8] [dependabot skip] Update environment --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 65a39cd2e..eaf3e99c7 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -11,7 +11,7 @@ dependencies: - matplotlib-base =3.8.2 - mendeleev =0.15.0 - mp-api =0.39.5 -- numpy =1.26.3 +- numpy =1.26.4 - pandas =2.2.0 - phonopy =2.21.0 - pint =0.23 From 79b3e189b2d443a585235cea0e185e9f9aa925d4 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 13:20:37 +0100 Subject: [PATCH 3/8] Update pyproject.toml --- pyproject.toml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index a070d377f..044d319f5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -35,13 +35,13 @@ dependencies = [ "pandas==2.2.0", "phonopy==2.21.0", "pint==0.23", - "pyiron_base==0.7.4", + "pyiron_base==0.7.5", "pylammpsmpi==0.2.12", "scipy==1.12.0", "scikit-learn==1.4.0", "seekpath==2.1.0", - "spglib==2.3.0", - "structuretoolkit==0.0.18", + "spglib==2.3.1", + "structuretoolkit==0.0.21", ] dynamic = ["version"] From 8c518d25ef9f63eed8edea57b86d6935d07c905d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 13:21:10 +0100 Subject: [PATCH 4/8] Update environment.yml --- .ci_support/environment.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index eaf3e99c7..a2a2a48f2 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -15,11 +15,11 @@ dependencies: - pandas =2.2.0 - phonopy =2.21.0 - pint =0.23 -- pyiron_base =0.7.4 +- pyiron_base =0.7.5 - pylammpsmpi =0.2.12 - pyscal =2.10.18 - scikit-learn =1.4.0 - scipy =1.12.0 - seekpath =2.1.0 -- spglib =2.3.0 -- structuretoolkit =0.0.18 +- spglib =2.3.1 +- structuretoolkit =0.0.21 From d555962a4b7814b172ee27617fc0d0eb87f178a0 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 18:48:50 +0100 Subject: [PATCH 5/8] Update environment.yml --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index a2a2a48f2..0115a2640 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -3,7 +3,7 @@ channels: dependencies: - aimsgb =1.1.0 - ase =3.22.1 -- atomistics =0.1.22 +- atomistics =0.1.23 - coverage - codacy-coverage - defusedxml =0.7.1 From 3548e5df9f6e25e4d9a03ada1ce2a49f16d80b6c Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 18:49:05 +0100 Subject: [PATCH 6/8] Update pyproject.toml --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 044d319f5..1ea16561c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ classifiers = [ ] dependencies = [ "ase==3.22.1", - "atomistics==0.1.22", + "atomistics==0.1.23", "defusedxml==0.7.1", "h5py==3.10.0", "matplotlib==3.8.2", From 6b9c7665a6f15f804d743c5125a4b3438b089a09 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 18:51:33 +0100 Subject: [PATCH 7/8] Update environment.yml --- .ci_support/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 0115a2640..15dca034d 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -16,7 +16,7 @@ dependencies: - phonopy =2.21.0 - pint =0.23 - pyiron_base =0.7.5 -- pylammpsmpi =0.2.12 +- pylammpsmpi =0.2.13 - pyscal =2.10.18 - scikit-learn =1.4.0 - scipy =1.12.0 From 94e7f51d04292b51aa8cf68ee70f36eb227dd43d Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 12 Feb 2024 18:51:51 +0100 Subject: [PATCH 8/8] Update pyproject.toml --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 1ea16561c..41034c77d 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -36,7 +36,7 @@ dependencies = [ "phonopy==2.21.0", "pint==0.23", "pyiron_base==0.7.5", - "pylammpsmpi==0.2.12", + "pylammpsmpi==0.2.13", "scipy==1.12.0", "scikit-learn==1.4.0", "seekpath==2.1.0",