commit
3791538f1d
41
pkgs/development/python-modules/i-pi/default.nix
Normal file
41
pkgs/development/python-modules/i-pi/default.nix
Normal file
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@ -0,0 +1,41 @@
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{ 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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name = "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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checkInputs = [
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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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@ -5855,6 +5855,8 @@ in
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ipget = callPackage ../applications/networking/ipget { };
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i-pi = with python3Packages; toPythonApplication i-pi;
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iptsd = callPackage ../applications/misc/iptsd { };
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ipmitool = callPackage ../tools/system/ipmitool {};
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@ -3408,6 +3408,8 @@ in {
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ipfshttpclient = callPackage ../development/python-modules/ipfshttpclient { };
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i-pi = callPackage ../development/python-modules/i-pi { };
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iptools = callPackage ../development/python-modules/iptools { };
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ipy = callPackage ../development/python-modules/IPy { };
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Loading…
Reference in a new issue