From 2bd557f94ef5f1d118480411a745caa648379692 Mon Sep 17 00:00:00 2001 From: Ninad Date: Sun, 28 Jul 2024 22:20:53 +1000 Subject: [PATCH] Update python and dependency versions --- poetry.lock | 1776 ++++++++++++++++++++++-------------------------- pyproject.toml | 13 +- 2 files changed, 800 insertions(+), 989 deletions(-) diff --git a/poetry.lock b/poetry.lock index e618ee3..1f80581 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,5 +1,22 @@ # This file is automatically @generated by Poetry 1.8.3 and should not be changed by hand. +[[package]] +name = "aimsgb" +version = "1.1.1" +description = "aimsgb is a python library for generatng the atomic coordinates of periodic grain boundaries.Copyright © 2018 The Regents of the University of California.All Rights Reserved. See more in Copyright." +optional = false +python-versions = ">=3.9" +files = [ + {file = "aimsgb-1.1.1-py3-none-any.whl", hash = "sha256:f4e44fd1555bb10ec65309f63892e2d8ac3c9a5b171340594f1aa3c9d025bee5"}, + {file = "aimsgb-1.1.1.tar.gz", hash = "sha256:4fc39da404a988d0e2fa34e0222570279a9607fe85b16ede2012c215bcc4c075"}, +] + +[package.dependencies] +mp-api = "*" +numpy = "*" +pymatgen = "*" +pytest = "*" + [[package]] name = "aioitertools" version = "0.11.0" @@ -104,16 +121,17 @@ xmltodict = "*" [[package]] name = "atomrdf" -version = "0.9.1" +version = "0.9.7" description = "Ontology based structural manipulation and quering" optional = false python-versions = "*" files = [ - {file = "atomrdf-0.9.1-py3-none-any.whl", hash = "sha256:54213346aa3c6bdf6d9e857f3556f4b7b48e5e5f0414bece299a6f7c34616516"}, - {file = "atomrdf-0.9.1.tar.gz", hash = "sha256:0a86905e76236935e49186709a080e4d4721f73d4e4971904f4cae03d0abd481"}, + {file = "atomrdf-0.9.7-py3-none-any.whl", hash = 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-python = ">=3.9, <3.12" -rdflib = "^7.0.0" -atomrdf = "^0.9.1" +python = ">=3.9,<4.0.0" annoy = "^1.17.3" -scikit-learn = "^1.4.2" -pyscal3 = {git = "https://github.com/pyscal/pyscal3"} -ovito = "^3.10.6" -pytest-cov = "^5.0.0" +scikit-learn = "^1.5.1" +rdflib = "^7.0.0" +atomrdf = "^0.9.7" +boto3 = "*" +urllib3 = "<2" numpy = "1.26.4" [tool.poetry.group.dev.dependencies]