From 809529d5c97a790c9b7fbfe44e319fcf3e3b542e Mon Sep 17 00:00:00 2001 From: lmiq Date: Wed, 27 May 2026 11:14:13 -0300 Subject: [PATCH 1/2] set version to 21.2.3 --- fpm.toml | 2 +- pyproject.toml | 2 +- src/title.f90 | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/fpm.toml b/fpm.toml index c01f6ce..eb636db 100644 --- a/fpm.toml +++ b/fpm.toml @@ -1,5 +1,5 @@ name = "packmol" -version = "21.2.2" +version = "21.2.3" license = "MIT" author = "Leandro Martinez, Ernesto Birgin, Jose Mario Martinez" maintainer = "Leandro Martinez" diff --git a/pyproject.toml b/pyproject.toml index b6cc83f..25eb62b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "packmol" -version = "21.2.2" +version = "21.2.3" description = "Packmol - Creates Initial Configurations for Molecular Dynamics Simulations" readme = "README.md" requires-python = ">=3.10" diff --git a/src/title.f90 b/src/title.f90 index 5a51c9c..2fb602a 100644 --- a/src/title.f90 +++ b/src/title.f90 @@ -13,7 +13,7 @@ subroutine title() write(*,"(' PACKMOL - Packing optimization for the automated generation of', /& &' starting configurations for molecular dynamics simulations.', /& &' ',/& - &t61,' Version 21.2.2 ')") + &t61,' Version 21.2.3 ')") write(*,hash3_line) end subroutine title From d70e10b13033dfbd3eb4d00b1b803989f17b1452 Mon Sep 17 00:00:00 2001 From: lmiq Date: Wed, 27 May 2026 11:14:22 -0300 Subject: [PATCH 2/2] update changelog --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index e71ba2a..a73b86b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -10,7 +10,7 @@ packmol changelog [badge-fix]: https://img.shields.io/badge/Fix-purple.svg [badge-info]: https://img.shields.io/badge/Info-gray.svg -Version 21.2.3-DEV +Version 21.2.3 -------------- - ![INFO][badge-info] Update versions of CellListMap.jl and PDBTools.jl packages in test infraestructure.