From a57e120c735d8e0eeec5e1a9378b97ed36e8c72c Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Jan 2026 17:15:24 +0100 Subject: [PATCH 1/7] Update pyproject.toml --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index c0fef190..0fc6399f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -27,7 +27,7 @@ classifiers = [ dependencies = [ "ase==3.27.0", "numpy==2.3.5", - "scipy==1.16.3", + "scipy==1.17.0", "spglib==2.7.0", ] dynamic = ["version"] From 575c63617dc3cd9939132931373aab1a28bcc013 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Jan 2026 17:15:44 +0100 Subject: [PATCH 2/7] 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 6438e092..21d59544 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -3,7 +3,7 @@ channels: dependencies: - ase =3.27.0 - numpy =2.3.5 -- scipy =1.16.3 +- scipy =1.17.0 - spglib =2.7.0 - phonopy =2.47.1 - structuretoolkit =0.0.39 From 93e2148c659dfc822b0dfd046bda7c36298e21c9 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Jan 2026 17:16:08 +0100 Subject: [PATCH 3/7] Update environment-docs.yml --- .ci_support/environment-docs.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index f49c7032..0318e1ef 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -9,7 +9,7 @@ dependencies: - ase =3.27.0 - coverage - numpy =2.3.5 -- scipy =1.16.3 +- scipy =1.17.0 - spglib =2.7.0 - phonopy =2.47.1 - structuretoolkit =0.0.39 From d0f1b69e2166fba70b7fffd00502d865a593c1c3 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Sun, 25 Jan 2026 17:16:36 +0100 Subject: [PATCH 4/7] 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 e6b9585a..d23de4db 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -9,7 +9,7 @@ dependencies: - pandas =2.3.3 - phonopy =2.47.1 - requests =2.32.5 -- scipy =1.16.3 +- scipy =1.17.0 - seekpath =2.2.0 - spglib =2.7.0 - structuretoolkit =0.0.39 From 77e49d9ab9ce8dcc2688f41205dee0b9e31c0ed5 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 13 Feb 2026 06:28:29 +0100 Subject: [PATCH 5/7] Update structuretoolkit version to 0.0.40 --- .ci_support/environment-docs.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-docs.yml b/.ci_support/environment-docs.yml index 9defe1e8..fbf4ed8a 100644 --- a/.ci_support/environment-docs.yml +++ b/.ci_support/environment-docs.yml @@ -12,7 +12,7 @@ dependencies: - scipy =1.17.0 - spglib =2.7.0 - phonopy =2.47.1 -- structuretoolkit =0.0.39 +- structuretoolkit =0.0.40 - seekpath =2.2.1 - lammps =2024.08.29 - pandas =2.3.3 From 106dff187c8c7731f3dd6d0af9fe842851d94d06 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 13 Feb 2026 06:28:52 +0100 Subject: [PATCH 6/7] Update structuretoolkit version to 0.0.40 --- binder/environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/binder/environment.yml b/binder/environment.yml index 7ddf3c19..0b25c31d 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -6,7 +6,7 @@ dependencies: - scipy =1.17.0 - spglib =2.7.0 - phonopy =2.47.1 -- structuretoolkit =0.0.39 +- structuretoolkit =0.0.40 - seekpath =2.2.1 - gpaw =25.7.0 - lammps =2024.08.29 From 99cec38d6d1f4b86ff566e6858b3e645c90ec8f8 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 13 Feb 2026 06:29:26 +0100 Subject: [PATCH 7/7] Update structuretoolkit version to 0.0.40 --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 4a37832a..688ecc3a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -41,7 +41,7 @@ Repository = "https://github.com/pyiron/atomistics" phonopy = [ "phonopy==2.47.1", "seekpath==2.2.1", - "structuretoolkit==0.0.39", + "structuretoolkit==0.0.40", ] gpaw = [ "gpaw==25.7.0",