Files
nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix
Peder Bergebakken Sundt 5aba99242e treewide: fix typos in comments
Made with

```shell
git restore .
fd '\.nix$' pkgs/ --type f -j1 -x bash -xc "$(cat <<"EOF"
    typos --no-check-filenames --write-changes "$1"
    git diff --exit-code "$1" && exit
    #( git diff "$1" | grep -qE "^\+ +[^# ]") && git restore "$1"
    count1="$( bat --language nix --diff --style changes "$1" --theme "Monokai Extended" --color always | aha --no-header | grep -E '^<span style="color:olive;">~</span> ' | wc -l )"
    count2="$( bat --language nix --diff --style changes "$1" --theme "Monokai Extended" --color always | aha --no-header | grep -E '^<span style="color:olive;">~</span> (<span style="color:#f8f8f2;"> *</span>)?<span style="color:#75715e;">.*</span>$' | wc -l )"
    [[ $count1 -ne $count2 ]] && git restore "$1"
EOF
)" -- {}
```

and filtered with `GIT_DIFF_OPTS='--unified=15' git -c interactive.singleKey=true add --patch`

I initially tried using the tree-sitter cli, python bindings and even ast-grep through various means, but this is what I ended up with.
2025-02-24 10:44:41 +01:00

63 lines
1.2 KiB
Nix

{
lib,
buildPythonPackage,
autodock-vina,
boost,
swig,
setuptools,
numpy,
}:
buildPythonPackage {
inherit (autodock-vina)
pname
version
src
meta
;
format = "pyproject";
sourceRoot = "${autodock-vina.src.name}/build/python";
postPatch = ''
# wildcards are not allowed
# https://github.com/ccsb-scripps/AutoDock-Vina/issues/176
substituteInPlace setup.py \
--replace "python_requires='>=3.5.*'" "python_requires='>=3.5'"
# setupPyBuildFlags are not applied with `format = "pyproject"`
substituteInPlace setup.py \
--replace "= locate_boost()" "= '${lib.getDev boost}/include', '${boost}/lib'"
# this line attempts to delete the source code
substituteInPlace setup.py \
--replace "shutil.rmtree('src')" "..."
# np.int is deprecated
# https://github.com/ccsb-scripps/AutoDock-Vina/pull/167 and so on
substituteInPlace vina/vina.py \
--replace "np.int" "int"
'';
nativeBuildInputs = [
setuptools
swig
];
buildInputs = [
boost
];
propagatedBuildInputs = [
numpy
];
# upstream has no tests
doCheck = false;
pythonImportsCheck = [
"vina"
];
}