From a65b154b098dfc19e1b7d859f17914c7dc2be7cc Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 20 Nov 2023 21:18:00 +0000 Subject: [PATCH 1/4] Bump pylammpsmpi from 0.2.5 to 0.2.6 Bumps [pylammpsmpi](https://github.com/pyiron/pylammpsmpi) from 0.2.5 to 0.2.6. - [Release notes](https://github.com/pyiron/pylammpsmpi/releases) - [Commits](https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.2.5...pylammpsmpi-0.2.6) --- updated-dependencies: - dependency-name: pylammpsmpi dependency-type: direct:development update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 90299612..b712095f 100644 --- a/setup.py +++ b/setup.py @@ -38,7 +38,7 @@ extras_require={ "phonopy": ['phonopy==2.20.0', 'seekpath==2.1.0', 'structuretoolkit==0.0.12'], "gpaw": ['gpaw==23.9.1'], - "lammps": ['pylammpsmpi==0.2.5', 'jinja2==3.1.2', 'pandas==2.1.3'] + "lammps": ['pylammpsmpi==0.2.6', 'jinja2==3.1.2', 'pandas==2.1.3'] }, cmdclass=versioneer.get_cmdclass(), ) From b3d0dde58ac0282f5a5b0d0b39fb5c2c35028ff8 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 20 Nov 2023 22:18:54 +0100 Subject: [PATCH 2/4] 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 0d6179b5..b14a2450 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -7,5 +7,5 @@ dependencies: - scipy =1.11.3 - spglib =2.1.0 - phonopy =2.20.0 -- structuretoolkit =0.0.11 +- structuretoolkit =0.0.12 - seekpath =2.1.0 From d500db8163a0e2837742b41b46dda439d527e9ec Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 20 Nov 2023 22:19:08 +0100 Subject: [PATCH 3/4] Update environment-lammps.yml --- .ci_support/environment-lammps.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.ci_support/environment-lammps.yml b/.ci_support/environment-lammps.yml index 6d1a99b9..e9b813c1 100644 --- a/.ci_support/environment-lammps.yml +++ b/.ci_support/environment-lammps.yml @@ -3,6 +3,6 @@ channels: dependencies: - lammps =2023.08.02 - pandas =2.1.3 -- pylammpsmpi =0.2.5 +- pylammpsmpi =0.2.6 - jinja2 =3.1.2 -- iprpy-data =2023.07.25 \ No newline at end of file +- iprpy-data =2023.07.25 From 251fcf94ff3e63d3ffa0a606bd47f247d401b181 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 20 Nov 2023 22:19:50 +0100 Subject: [PATCH 4/4] Update environment.yml --- binder/environment.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/binder/environment.yml b/binder/environment.yml index f715155e..1f307b90 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -7,10 +7,10 @@ dependencies: - scipy =1.11.3 - spglib =2.1.0 - phonopy =2.20.0 -- structuretoolkit =0.0.11 +- structuretoolkit =0.0.12 - seekpath =2.1.0 - gpaw =23.9.1 - lammps =2023.08.02 - pandas =2.1.3 -- pylammpsmpi =0.2.5 -- jinja2 =3.1.2 \ No newline at end of file +- pylammpsmpi =0.2.6 +- jinja2 =3.1.2