From 533340679b8aceb0fd226bd1e478110bcd7b1f6a Mon Sep 17 00:00:00 2001 From: Katharina Buchthal Date: Thu, 26 Sep 2024 14:58:53 +0200 Subject: [PATCH 1/4] Updated setup.py --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index c24530a7..1a4b6120 100644 --- a/setup.py +++ b/setup.py @@ -2,11 +2,11 @@ setup( name="kinfraglib", - version="1.0.0", + version="2.0.0", description="Kinase-focused fragment library", url="https://github.com/volkamerlab/kinfraglib", author="Volkamer Lab", - author_email="andrea.volkamer@charite.de", + author_email="volkamer@cs.uni-saarland.de", license="MIT", packages=find_packages(), classifiers=[ From 3c22731aa3c2fe0099b4194380d60c583980bc44 Mon Sep 17 00:00:00 2001 From: Katharina Buchthal Date: Thu, 26 Sep 2024 16:10:03 +0200 Subject: [PATCH 2/4] replaced setup.py by pyproject.toml --- pyproject.toml | 24 ++++++++++++++++++++++++ setup.py | 18 ------------------ 2 files changed, 24 insertions(+), 18 deletions(-) create mode 100644 pyproject.toml delete mode 100644 setup.py diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 00000000..c4b58f26 --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,24 @@ +[build-system] +requires = ["setuptools>=64"] +build-backend = "setuptools.build_meta" + +[project] +name = "kinfraglib" +version = "1.0.0" +description = "KinFragLib" +license = { text = "MIT" } +authors = [ + { name = "Volkamer Lab", email = "volkamer@cs.uni-saarland.de" } +] +urls = { "Homepage" = "https://github.com/volkamerlab/KinFragLib" } + +classifiers = [ + "Programming Language :: Python :: 3.8", + "Programming Language :: Python :: 3.9", + "License :: OSI Approved :: MIT License", + "Operating System :: Unix" +] + +[tool.setuptools.packages] +find = {} + diff --git a/setup.py b/setup.py deleted file mode 100644 index 1a4b6120..00000000 --- a/setup.py +++ /dev/null @@ -1,18 +0,0 @@ -from setuptools import setup, find_packages - -setup( - name="kinfraglib", - version="2.0.0", - description="Kinase-focused fragment library", - url="https://github.com/volkamerlab/kinfraglib", - author="Volkamer Lab", - author_email="volkamer@cs.uni-saarland.de", - license="MIT", - packages=find_packages(), - classifiers=[ - "Programming Language :: Python :: 3.6", - "Programming Language :: Python :: 3.8", - "License :: OSI Approved :: MIT License", - "Operating System :: Unix", - ], -) From 1db7f9fe8300c9015f7206ddec892cf65577e1a9 Mon Sep 17 00:00:00 2001 From: Katharina Buchthal Date: Thu, 26 Sep 2024 16:13:26 +0200 Subject: [PATCH 3/4] changed version --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index c4b58f26..d21d7b30 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "kinfraglib" -version = "1.0.0" +version = "2.0.0" description = "KinFragLib" license = { text = "MIT" } authors = [ From 70aa8e2bcb8e690895c50e6329939ae1b91f4133 Mon Sep 17 00:00:00 2001 From: Katharina Buchthal Date: Fri, 27 Sep 2024 10:22:47 +0200 Subject: [PATCH 4/4] fixed parsing error due to invalid \t --- environment.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index 26f2201d..6a730f21 100644 --- a/environment.yml +++ b/environment.yml @@ -26,7 +26,7 @@ dependencies: - nbval - shyaml - pip: - - swagger_spec_validator==3.0.3 # CI fails with version 3.0.4 + - swagger_spec_validator==3.0.3 # CI fails with version 3.0.4 - black-nb # KinFragLib itself # - https://github.com/volkamerlab/kinfraglib/archive/master.tar.gz