From b79b1c1ffa08829ca4021c2bd366e8c47c392baa Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 9 Dec 2024 07:50:32 +0000 Subject: [PATCH 1/5] Bump sevenn from 0.10.1 to 0.10.2 (#1080) Bumps [sevenn](https://github.com/MDIL-SNU/SevenNet) from 0.10.1 to 0.10.2. - [Release notes](https://github.com/MDIL-SNU/SevenNet/releases) - [Changelog](https://github.com/MDIL-SNU/SevenNet/blob/main/CHANGELOG.md) - [Commits](https://github.com/MDIL-SNU/SevenNet/compare/v0.10.1...v0.10.2) --- updated-dependencies: - dependency-name: sevenn dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index f4d2dfa67..dcbee6af2 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -124,7 +124,7 @@ strict-forcefields = [ "mace-torch>=0.3.6", "matgl==1.1.3", "quippy-ase==0.9.14; python_version < '3.12'", - "sevenn==0.10.1", + "sevenn==0.10.2", "torch==2.5.1", "torchdata==0.7.1", # TODO: remove when issue fixed ] From 149f05c4fb030bf36f237fdb7983c5320b36f892 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 9 Dec 2024 07:59:22 +0000 Subject: [PATCH 2/5] Bump emmet-core from 0.84.3rc4 to 0.84.3rc6 (#1081) Bumps [emmet-core](https://github.com/materialsproject/emmet) from 0.84.3rc4 to 0.84.3rc6. - [Release notes](https://github.com/materialsproject/emmet/releases) - [Changelog](https://github.com/materialsproject/emmet/blob/main/docs/CHANGELOG.md) - [Commits](https://github.com/materialsproject/emmet/compare/0.84.3rc4...v0.84.3rc6) --- updated-dependencies: - dependency-name: emmet-core dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index dcbee6af2..2ef41b0d2 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -98,7 +98,7 @@ strict = [ "click==8.1.7", "custodian==2024.10.16", "dscribe==2.1.1", - "emmet-core==0.84.3rc4", + "emmet-core==0.84.3rc6", "ijson==3.3.0", "jobflow==0.1.19", "lobsterpy==0.4.9", From 073eac1ea8741e87d3793be6939678b0e9e4bb6f Mon Sep 17 00:00:00 2001 From: Aakash Ashok Naik <91958822+naik-aakash@users.noreply.github.com> Date: Mon, 9 Dec 2024 12:12:49 +0100 Subject: [PATCH 3/5] update calorine version (#1083) --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 2ef41b0d2..4869be3d5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -51,7 +51,7 @@ defects = [ ] forcefields = [ "ase>=3.23.0", - "calorine<=2.2.1", + "calorine>=3.0", "chgnet>=0.2.2", "mace-torch>=0.3.3", "matgl>=1.1.3", From 906ca383da38aee44838cc0ddb131b27d9624735 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 16 Dec 2024 08:10:44 +0000 Subject: [PATCH 4/5] Bump sevenn from 0.10.2 to 0.10.3 (#1084) Bumps [sevenn](https://github.com/MDIL-SNU/SevenNet) from 0.10.2 to 0.10.3. - [Release notes](https://github.com/MDIL-SNU/SevenNet/releases) - [Changelog](https://github.com/MDIL-SNU/SevenNet/blob/main/CHANGELOG.md) - [Commits](https://github.com/MDIL-SNU/SevenNet/compare/v0.10.2...v0.10.3) --- updated-dependencies: - dependency-name: sevenn dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 4869be3d5..32f1ab7a0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -124,7 +124,7 @@ strict-forcefields = [ "mace-torch>=0.3.6", "matgl==1.1.3", "quippy-ase==0.9.14; python_version < '3.12'", - "sevenn==0.10.2", + "sevenn==0.10.3", "torch==2.5.1", "torchdata==0.7.1", # TODO: remove when issue fixed ] From 44de9918ace9733177fe7511578c6420d66566c4 Mon Sep 17 00:00:00 2001 From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com> Date: Mon, 16 Dec 2024 08:10:53 +0000 Subject: [PATCH 5/5] Bump emmet-core from 0.84.3rc6 to 0.84.4 (#1085) Bumps [emmet-core](https://github.com/materialsproject/emmet) from 0.84.3rc6 to 0.84.4. - [Release notes](https://github.com/materialsproject/emmet/releases) - [Changelog](https://github.com/materialsproject/emmet/blob/main/docs/CHANGELOG.md) - [Commits](https://github.com/materialsproject/emmet/compare/v0.84.3rc6...v0.84.4) --- updated-dependencies: - dependency-name: emmet-core dependency-type: direct:production update-type: version-update:semver-patch ... Signed-off-by: dependabot[bot] Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 32f1ab7a0..2a3c4c6ff 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -98,7 +98,7 @@ strict = [ "click==8.1.7", "custodian==2024.10.16", "dscribe==2.1.1", - "emmet-core==0.84.3rc6", + "emmet-core==0.84.4", "ijson==3.3.0", "jobflow==0.1.19", "lobsterpy==0.4.9",