From d206a94be154ab2c8d1c4ff66d6353498c6f4724 Mon Sep 17 00:00:00 2001 From: Jiri Janos Date: Mon, 27 Apr 2026 10:00:56 +0200 Subject: [PATCH 1/2] Preparing for publishing version 1.0.3 --- CITATION.cff | 11 ++++++++--- README.md | 17 ++++++++++------- pyproject.toml | 2 +- src/promdens/promdens.py | 16 +--------------- 4 files changed, 20 insertions(+), 26 deletions(-) diff --git a/CITATION.cff b/CITATION.cff index 3be8c17..58aa6b1 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -1,4 +1,4 @@ -cff-version: 1.1.0 +cff-version: 1.2.0 message: "If you use this software, please cite it as below." authors: - family-names: Janoš @@ -6,10 +6,15 @@ authors: orcid: https://orcid.org/0000-0001-5903-8538 - family-names: Hollas given-names: Daniel + orcid: https://orcid.org/0000-0003-4075-6438 title: "PROMDENS: Promoted Density Approach code" -version: 1.0.2 +version: 1.0.3 +doi: 10.5281/zenodo.13619457 url: "https://github.com/PHOTOX/promdens" -date-released: 2025-11-28 +date-released: 2026-04-27 +type: software +license: mit +repository-code: https://github.com/PHOTOX/promdens # preferred-citation: # type: article # authors: diff --git a/README.md b/README.md index 76d12a6..9e814a2 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,4 @@ +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.13619457.svg)](https://doi.org/10.5281/zenodo.13619457) [![PyPI version](https://img.shields.io/pypi/v/promdens)](https://pypi.org/project/promdens/) [![CI](https://github.com/PHOTOX/promdens/actions/workflows/ci.yml/badge.svg)](https://github.com/PHOTOX/promdens/actions/workflows/ci.yml) @@ -275,13 +276,15 @@ URL = {https://doi.org/10.1021/acs.jpclett.4c02549} and the PROMDENS code: ```bibtex -@software{PROMDENS2024, -author = {Janoš, Jiří and Hollas, Daniel}, -month = nov, -title = {{PROMDENS: Promoted Density Approach code}}, -url = {https://github.com/PHOTOX/promdens}, -version = {1.0.1}, -year = {2024} +@software{Promdens, + author = {Janoš, Jiří and Hollas, Daniel}, + title = {PROMDENS: Promoted Density Approach code}, + month = apr, + year = 2026, + publisher = {Zenodo}, + version = {v1.0.3}, + doi = {10.5281/zenodo.13619457}, + url = {https://doi.org/10.5281/zenodo.13619457}, } ``` diff --git a/pyproject.toml b/pyproject.toml index ef1c5df..9e65777 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "promdens" -version = "1.0.2" +version = "1.0.3" authors = [ { name="Jiri Janos", email="jiri.janos98@gmail.com" }, { name="Daniel Hollas", email="danekhollas@gmail.com" }, diff --git a/src/promdens/promdens.py b/src/promdens/promdens.py index b4464b1..f0bdd13 100755 --- a/src/promdens/promdens.py +++ b/src/promdens/promdens.py @@ -47,27 +47,13 @@ def print_header(): print("\n#############################################################\n" f"### {DESC} ###\n" "### * * * * * ###\n" - "### version 1.0.2 | Jiri Janos 2025 ###\n" + "### version 1.0.3 | Jiri Janos 2026 ###\n" "#############################################################\n") def print_footer(): print('\nPromoted Density Approach calculation finished.' '\n - "May the laser pulses be with you."\n') - print(" %. \n" - " %. #%%%%%%%% \n" - " %. %% %%%%%%%%%%% \n" - " %. %%%%% %%%%%%%%%%%% \n" - " % %%%%%%%%% %%%%%%%%%%%%* \n" - " % %%%%%%%%% %%%%%%%%%%% \n" - " % %%%%%%% %%%%%%%% \n" - " %%%%%%%%%%% %%%%%%% \n" - " %%+%%%%%%%%% %%%%%%% \n" - " %%%%%%% %%%%%% \n" - " %%%%%%%%%% %%%%%% \n" - " %%%%%%%%%%%%%%% \n" - " %%%%%%%%%%%%%% \n" - " ") def positive_int(str_value: str) -> int: From 91288aefd829f50c27c1fffb8088ac121853e8e4 Mon Sep 17 00:00:00 2001 From: Jiri Janos Date: Mon, 27 Apr 2026 10:14:13 +0200 Subject: [PATCH 2/2] Upgrading author list in the code header. --- src/promdens/promdens.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/promdens/promdens.py b/src/promdens/promdens.py index f0bdd13..b79c273 100755 --- a/src/promdens/promdens.py +++ b/src/promdens/promdens.py @@ -44,11 +44,11 @@ def _get_cmap() -> plt.Colormap: ### functions and classes ### def print_header(): - print("\n#############################################################\n" - f"### {DESC} ###\n" - "### * * * * * ###\n" - "### version 1.0.3 | Jiri Janos 2026 ###\n" - "#############################################################\n") + print("\n#################################################################\n" + f"### {DESC} ###\n" + "### * * * * * ###\n" + "### version 1.0.3 (2026) | Jiri Janos, Daniel Hollas ###\n" + "#################################################################\n") def print_footer():