From fb5a9fa61bef7a8aa376bc825587b9acf8eb4ca6 Mon Sep 17 00:00:00 2001 From: Yuchen Ethan Xiao Date: Tue, 10 Jun 2025 15:20:59 -0400 Subject: [PATCH 1/4] skpkg: list dependencies in requirements folder --- requirements/build.txt | 0 requirements/docs.txt | 1 + 2 files changed, 1 insertion(+) delete mode 100644 requirements/build.txt diff --git a/requirements/build.txt b/requirements/build.txt deleted file mode 100644 index e69de29b..00000000 diff --git a/requirements/docs.txt b/requirements/docs.txt index ab17b1c8..5f34c6ed 100644 --- a/requirements/docs.txt +++ b/requirements/docs.txt @@ -1,4 +1,5 @@ sphinx sphinx_rtd_theme +sphinx-copybutton doctr m2r From bc908d22db512e4d8794af02265405d8664f6f0d Mon Sep 17 00:00:00 2001 From: Yuchen Ethan Xiao Date: Tue, 10 Jun 2025 15:25:28 -0400 Subject: [PATCH 2/4] skpkg: add CI and issue/PR templates --- .gitignore | 1 + 1 file changed, 1 insertion(+) diff --git a/.gitignore b/.gitignore index a25212ea..90d4ef7a 100644 --- a/.gitignore +++ b/.gitignore @@ -10,6 +10,7 @@ __pycache__/ .Python env/ build/ +_build/ develop-eggs/ dist/ downloads/ From 97a245372b42da74b3276644daca36b38451a58b Mon Sep 17 00:00:00 2001 From: Yuchen Ethan Xiao Date: Tue, 10 Jun 2025 15:30:59 -0400 Subject: [PATCH 3/4] skpkg: add pyproject.toml --- pyproject.toml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 852f9dec..db96dbe0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,12 +6,12 @@ build-backend = "setuptools.build_meta" name = "diffpy.pdfgui" dynamic=['version', 'dependencies'] authors = [ - { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" }, + { name="Simon J.L. Billinge group", email="sb2896@columbia.edu" }, ] maintainers = [ - { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" }, + { name="Simon J.L. Billinge group", email="sb2896@columbia.edu" }, ] -description = "GUI for PDF simulation and structure refinement." +description = "Graphical user interface program for structure refinements to atomic pair distribution function." keywords = ['PDF structure refinement GUI'] readme = "README.rst" requires-python = ">=3.11, <3.14" From 9a9f4a15f59ffb7927fd90e9e45f019edc04af9f Mon Sep 17 00:00:00 2001 From: Yuchen Ethan Xiao Date: Tue, 10 Jun 2025 16:47:15 -0400 Subject: [PATCH 4/4] chore: change the description --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index db96dbe0..f46d1752 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,7 +11,7 @@ authors = [ maintainers = [ { name="Simon J.L. Billinge group", email="sb2896@columbia.edu" }, ] -description = "Graphical user interface program for structure refinements to atomic pair distribution function." +description = "Graphical user interface program for structure refinements to the atomic pair distribution function." keywords = ['PDF structure refinement GUI'] readme = "README.rst" requires-python = ">=3.11, <3.14"