From a3af8e637c7f05fb7bdb8e227f30d4c3af4dec29 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 1 Jul 2024 07:23:28 +0200 Subject: [PATCH 1/4] Update pyiron_base to 0.9.5 --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index f98fadd..a44a37f 100644 --- a/environment.yml +++ b/environment.yml @@ -2,7 +2,7 @@ channels: - conda-forge dependencies: - python=3.11 -- pyiron_base=0.8.0 +- pyiron_base=0.9.5 - qe=7.2 - qe-tools=2.0.0 - ase=3.22.1 From fb5364018cfc87d56552a6321305babaefa020f4 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 1 Jul 2024 07:24:44 +0200 Subject: [PATCH 2/4] Update ASE to 3.23.0 --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index f98fadd..a7f39b6 100644 --- a/environment.yml +++ b/environment.yml @@ -5,7 +5,7 @@ dependencies: - pyiron_base=0.8.0 - qe=7.2 - qe-tools=2.0.0 -- ase=3.22.1 +- ase=3.23.0 - matplotlib=3.8.3 - xmlschema=3.2.0 - jobflow=0.1.17 From 1495d2fc3d16d6ac35afd293e353e84f65af01f3 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 1 Jul 2024 07:26:08 +0200 Subject: [PATCH 3/4] Update xmlschema to 3.3.1 --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index f98fadd..5c3414d 100644 --- a/environment.yml +++ b/environment.yml @@ -7,7 +7,7 @@ dependencies: - qe-tools=2.0.0 - ase=3.22.1 - matplotlib=3.8.3 -- xmlschema=3.2.0 +- xmlschema=3.3.1 - jobflow=0.1.17 - pymatgen=2024.3.1 - aiida-core=2.5.1 From 5f6a1a3ca2f906f3d27d618bedd997a27224480b Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Mon, 1 Jul 2024 07:27:43 +0200 Subject: [PATCH 4/4] Update aiida-core to 2.5.2 --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index f98fadd..6c5fb8c 100644 --- a/environment.yml +++ b/environment.yml @@ -10,5 +10,5 @@ dependencies: - xmlschema=3.2.0 - jobflow=0.1.17 - pymatgen=2024.3.1 -- aiida-core=2.5.1 +- aiida-core=2.5.2 - aiida-core.services