From 5f791d032cd647848ab94c8e08f8742523efb971 Mon Sep 17 00:00:00 2001 From: jessicaw9910 Date: Tue, 20 Feb 2024 11:11:41 -0500 Subject: [PATCH 1/3] Updated dependencies, removed data placeholder, and added src directory --- missense_kinase_toolkit/data/look_and_say.dat | 15 ------------ missense_kinase_toolkit/src/hgnc.py | 0 pyproject.toml | 23 +++++++++++++------ 3 files changed, 16 insertions(+), 22 deletions(-) delete mode 100644 missense_kinase_toolkit/data/look_and_say.dat create mode 100644 missense_kinase_toolkit/src/hgnc.py diff --git a/missense_kinase_toolkit/data/look_and_say.dat b/missense_kinase_toolkit/data/look_and_say.dat deleted file mode 100644 index 97df452..0000000 --- a/missense_kinase_toolkit/data/look_and_say.dat +++ /dev/null @@ -1,15 +0,0 @@ -1 -11 -21 -1211 -111221 -312211 -13112221 -1113213211 -31131211131221 -13211311123113112211 -11131221133112132113212221 -3113112221232112111312211312113211 -1321132132111213122112311311222113111221131221 -11131221131211131231121113112221121321132132211331222113112211 -311311222113111231131112132112311321322112111312211312111322212311322113212221 \ No newline at end of file diff --git a/missense_kinase_toolkit/src/hgnc.py b/missense_kinase_toolkit/src/hgnc.py new file mode 100644 index 0000000..e69de29 diff --git a/pyproject.toml b/pyproject.toml index 7031c1b..145f0c9 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -7,26 +7,35 @@ build-backend = "setuptools.build_meta" [project] name = "missense_kinase_toolkit" description = "An ETL pipeline package to facilitate structure-based ML for human kinase property prediction" -dynamic = ["version"] +dynamic = ["0.0.1"] readme = "README.md" authors = [ { name = "Jess White", email = "jessica.white@choderalab.org" } ] +maintainers = [ + { name = "Jess White", email = "jessica.white@choderalab.org" } +] license = { text = "MIT" } # See https://pypi.org/classifiers/ classifiers = [ "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 3", ] -requires-python = ">=3.8" +requires-python = ">=3.9" # Declare any run-time dependencies that should be installed with the package. -#dependencies = [ -# "importlib-resources;python_version<'3.10'", -#] +dependencies = [ + "importlib-resources;python_version<='3.11'", + "setuptools", + "pydantic>=1.10,<2", + "tqdm>=4.64.0", + "pandas>=2,<3", + "requests-cache>=0.9.7,<1", + "requests>=2.28.1,<3", +] # Update the urls once the hosting is set up. -#[project.urls] -#"Source" = "https://github.com/choderalab/missense_kinase_toolkit/" +[project.urls] +"Source" = "https://github.com/choderalab/missense_kinase_toolkit/" #"Documentation" = "https://missense_kinase_toolkit.readthedocs.io/" [project.optional-dependencies] From 55dd1e769fd8fb54dd76a2498cea7d3c0a79c54f Mon Sep 17 00:00:00 2001 From: jessicaw9910 Date: Tue, 20 Feb 2024 11:28:42 -0500 Subject: [PATCH 2/3] removed maintainer and re-set dynamic versioning --- pyproject.toml | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 145f0c9..511b5b8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -7,14 +7,11 @@ build-backend = "setuptools.build_meta" [project] name = "missense_kinase_toolkit" description = "An ETL pipeline package to facilitate structure-based ML for human kinase property prediction" -dynamic = ["0.0.1"] +dynamic = ["version"] readme = "README.md" authors = [ { name = "Jess White", email = "jessica.white@choderalab.org" } ] -maintainers = [ - { name = "Jess White", email = "jessica.white@choderalab.org" } -] license = { text = "MIT" } # See https://pypi.org/classifiers/ classifiers = [ From c3793614fb058f3205a82dd5ffe396d7257ae35f Mon Sep 17 00:00:00 2001 From: jessicaw9910 Date: Tue, 20 Feb 2024 11:32:21 -0500 Subject: [PATCH 3/3] updated CI.yaml to conform to 3.9 and above --- .github/workflows/CI.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 11b0a68..ec93169 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -22,7 +22,7 @@ jobs: strategy: matrix: os: [macOS-latest, ubuntu-latest, windows-latest] - python-version: [3.8, "3.10", "3.11"] + python-version: [3.9, "3.10", "3.11"] steps: - uses: actions/checkout@v3