From 1e1b1271f368f8c74ee44edcd76baab3fb962876 Mon Sep 17 00:00:00 2001 From: Cmurilochem Date: Tue, 19 Nov 2024 13:27:59 +0100 Subject: [PATCH 1/2] Update citation file Further updates in citation.cff --- CITATION.cff | 32 ++++++++++++++++++++++++-------- 1 file changed, 24 insertions(+), 8 deletions(-) diff --git a/CITATION.cff b/CITATION.cff index 895761a..71dd779 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -3,16 +3,32 @@ cff-version: "1.2.0" title: "qc2" authors: - - - family-names: Renaud + - family-names: Renaud given-names: Nicolas - orcid: "https://orcid.org/0000-0000-0000-0000" -date-released: 20??-MM-DD -doi: -version: "0.1.0" + email: n.renaud@esciencecenter.nl + affiliation: Netherlands eScience Center + orcid: "https://orcid.org/0000-0001-9589-2694" + - family-names: Romero Rocha + given-names: Carlos Murilo + email: c.rocha@esciencecenter.nl + affiliation: Netherlands eScience Center + orcid: "https://orcid.org/0000-0002-4118-8308" +identifiers: + - type: url + value: https://blog.esciencecenter.nl/quantum-computing-for-quantum-chemistry-with-qc2-69ee18ef2969 + description: Quantum Computing for Quantum Chemistry with qc2 + - type: doi + value: 10.5281/zenodo.XXXXXXX + description: Concept DOI for Zenodo deposition +date-released: 2024-11-19 +version: "v1.1.2" repository-code: "git@github.com:qc2nl/qc2" +abstract: >- + qc2 is a modular software designed to seamlessly integrate + traditional computational chemistry codes and quantum computing + frameworks. keywords: - quantum computing - - quantum chemistry -message: "If you use this software, please cite it using these metadata." + - quantum chemistry +message: "If you use this software, please cite it using the metadata from this file." license: Apache-2.0 From bb9c233f62d69111552a9572bc0c61dbe682ca92 Mon Sep 17 00:00:00 2001 From: Cmurilochem Date: Tue, 19 Nov 2024 13:28:18 +0100 Subject: [PATCH 2/2] Update setup file Remove two author fields --- setup.cfg | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/setup.cfg b/setup.cfg index 40fe5c1..2e13844 100644 --- a/setup.cfg +++ b/setup.cfg @@ -17,6 +17,7 @@ classifiers = Programming Language :: Python :: 3.9 Programming Language :: Python :: 3.10 Programming Language :: Python :: 3.11 + Programming Language :: Python :: 3.12 description = Bridging Quantum Chemistry and Quantum Computing keywords = quantum computing @@ -27,7 +28,7 @@ name = qc2 project_urls = Bug Tracker = git@github.com:qc2nl/qc2/issues url = git@github.com:qc2nl/qc2 -version = 0.1.0 +version = 1.1.2 [options] zip_safe = False