From 185f415d2eb47e1d8a95d3e6155dff1d5b71d627 Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Mon, 16 Oct 2023 17:54:03 -0700 Subject: [PATCH 1/5] Updated CHANGELOG.md --- CHANGELOG.md | 11 ++++++++++- 1 file changed, 10 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index f12b32b..bac5cd8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -19,7 +19,7 @@ The rules for this file: ## [Unreleased] ### Authors -- ianmkenney + ### Added @@ -36,3 +36,12 @@ The rules for this file: ### Removed +## v1.0.0 + +### Authors +- ianmkenney + +### Added +- functionality of the MDAnalysis.analysis.waterdynamics implemented + in waterdynamics (PR #3) +- documentation deployed to github pages and read the docs (PR #5 #6) From d6dc020e815b5ae67078b3eabc1c4b75ced6c337 Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Tue, 17 Oct 2023 12:55:41 -0700 Subject: [PATCH 2/5] Updated CHANGELOG --- CHANGELOG.md | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index bac5cd8..ab70a99 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -38,10 +38,15 @@ The rules for this file: ## v1.0.0 +The waterdynamics MDAKit was created by Ian Kenney in 2023 and is based upon +the MDAnalysis.analysis.waterdynamics analysis module originally written by +Alejandro Bernardin in 2015. Additional contributors to the original source +are listed in the AUTHORS.md file. + ### Authors - ianmkenney ### Added -- functionality of the MDAnalysis.analysis.waterdynamics implemented - in waterdynamics (PR #3) +- the core functionality of waterdynamics (and its tests) was implemented + using the source code from MDAnalysis.analysis.waterdynamics (PR #3) - documentation deployed to github pages and read the docs (PR #5 #6) From 2ebf3be399dc506270860026c720739ffbdc9e65 Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Tue, 17 Oct 2023 14:01:18 -0700 Subject: [PATCH 3/5] Updated CHANGELOG --- CHANGELOG.md | 25 +++++++++++++++---------- 1 file changed, 15 insertions(+), 10 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index ab70a99..ca4987c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -19,24 +19,25 @@ The rules for this file: ## [Unreleased] ### Authors - ### Added - ### Fixed - ### Changed - - -### Deprecated - ### Removed - -## v1.0.0 +## [1.0.0] - 2023-10-17 + +### Authors +- ianmkenney + +### Fixed +- package deployment workflow enforces correct options regarding tests +- formatting fixes in AUTHORS.md (PR #12) + +## [0.1.0] - 2023-10-13 The waterdynamics MDAKit was created by Ian Kenney in 2023 and is based upon the MDAnalysis.analysis.waterdynamics analysis module originally written by @@ -48,5 +49,9 @@ are listed in the AUTHORS.md file. ### Added - the core functionality of waterdynamics (and its tests) was implemented - using the source code from MDAnalysis.analysis.waterdynamics (PR #3) + using the source code from MDAnalysis.analysis.waterdynamics (#3) - documentation deployed to github pages and read the docs (PR #5 #6) + +[Unreleased]: https://github.com/MDAnalysis/waterdynamics/compare/1.0.0...HEAD +[1.0.0]: https://github.com/MDAnaylsis/waterdynamics/compare/0.1.0...1.0.0 +[0.1.0]: https://github.com/MDAnalysis/waterdynamics/releases/tag/0.1.0 \ No newline at end of file From d4127b9f7ec7e3dc1ca07965c984dd684b53eecb Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Wed, 18 Oct 2023 08:10:18 -0700 Subject: [PATCH 4/5] Update CHANGELOG.md Co-authored-by: Oliver Beckstein --- CHANGELOG.md | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index ca4987c..59cbe37 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -39,10 +39,12 @@ The rules for this file: ## [0.1.0] - 2023-10-13 -The waterdynamics MDAKit was created by Ian Kenney in 2023 and is based upon -the MDAnalysis.analysis.waterdynamics analysis module originally written by -Alejandro Bernardin in 2015. Additional contributors to the original source -are listed in the AUTHORS.md file. +The original `MDAnalysis.analysis.waterdynamics` was written by Alejandro +Bernardin in 2015 and had been part of MDAnalysis since release 0.11.0, +https://docs.mdanalysis.org/2.6.1/documentation_pages/analysis/waterdynamics.html . +Ian Kenney created the `waterdynamics` MDAKit in 2023, based on the original +code in MDAnalysis. Additional contributors to the original source code are +listed in the AUTHORS.md file. ### Authors - ianmkenney From f1b9b6e14500d3ebd2bc2f3e832fe443ea0d5a57 Mon Sep 17 00:00:00 2001 From: Ian Kenney Date: Wed, 18 Oct 2023 11:15:30 -0700 Subject: [PATCH 5/5] Fixed typo --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 59cbe37..1c23a31 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -41,7 +41,7 @@ The rules for this file: The original `MDAnalysis.analysis.waterdynamics` was written by Alejandro Bernardin in 2015 and had been part of MDAnalysis since release 0.11.0, -https://docs.mdanalysis.org/2.6.1/documentation_pages/analysis/waterdynamics.html . +https://docs.mdanalysis.org/2.6.1/documentation_pages/analysis/waterdynamics.html. Ian Kenney created the `waterdynamics` MDAKit in 2023, based on the original code in MDAnalysis. Additional contributors to the original source code are listed in the AUTHORS.md file.