mirror of
https://github.com/NixOS/nixpkgs.git
synced 2026-08-27 10:44:36 +00:00
60 lines
1.2 KiB
Nix
60 lines
1.2 KiB
Nix
{
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buildPythonPackage,
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lib,
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fetchFromGitHub,
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setuptools,
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setuptools-scm,
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numpy,
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scipy,
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attrs,
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pytest-xdist,
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pytestCheckHook,
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}:
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buildPythonPackage (finalAttrs: {
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pname = "qc-iodata";
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version = "1.0.1";
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pyproject = true;
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src = fetchFromGitHub {
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owner = "theochem";
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repo = "iodata";
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tag = "v${finalAttrs.version}";
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hash = "sha256-ly5nEqgxCt5uU+UNQx/7zgrh+w1Plngarw29+Ns68ts=";
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};
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build-system = [
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setuptools
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setuptools-scm
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];
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postPatch = ''
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substituteInPlace pyproject.toml --replace-fail \
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'addopts = "-n auto -W error --strict-markers"' \
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'addopts = "-n auto --strict-markers"'
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'';
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dependencies = [
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numpy
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scipy
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attrs
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];
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pythonImportsCheck = [ "iodata" ];
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nativeCheckInputs = [
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pytest-xdist
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pytestCheckHook
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];
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disabledTestPaths = [ "tools/test_harmonics.py" ];
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meta = {
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description = "Python library for reading, writing, and converting computational chemistry file formats and generating input files";
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mainProgram = "iodata-convert";
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homepage = "https://github.com/theochem/iodata";
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license = lib.licenses.lgpl3Only;
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maintainers = [ lib.maintainers.sheepforce ];
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};
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})
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