33afbf39f6
checkInputs used to be added to nativeBuildInputs. Now we have nativeCheckInputs to do that instead. Doing this treewide change allows to keep hashes identical to before the introduction of nativeCheckInputs.
42 lines
892 B
Nix
42 lines
892 B
Nix
{ buildPythonPackage, lib, fetchFromGitHub, gfortran
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, makeWrapper, numpy, pytest, mock, pytest-mock
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} :
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buildPythonPackage rec {
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pname = "i-pi";
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version = "2.4.0";
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src = fetchFromGitHub {
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owner = "i-pi";
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repo = "i-pi";
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rev = "v${version}";
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sha256 = "0d0ag57aa0fsqjwya27fyj8alimjvlxzgh6hxjqy1k4ap9h3n1cy";
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};
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nativeBuildInputs = [
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gfortran
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makeWrapper
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];
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propagatedBuildInputs = [ numpy ];
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nativeCheckInputs = [
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pytest
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mock
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pytest-mock
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];
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postFixup = ''
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wrapProgram $out/bin/i-pi \
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--set IPI_ROOT $out
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'';
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meta = with lib; {
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description = "A universal force engine for ab initio and force field driven (path integral) molecular dynamics";
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license = with licenses; [ gpl3Only mit ];
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homepage = "http://ipi-code.org/";
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platforms = platforms.linux;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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