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mstore: init at 0.2.0

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This commit is contained in:
Phillip Seeber 2023-03-15 10:48:32 +01:00
parent 4dba477ba6
commit 138d1f4141
2 changed files with 38 additions and 0 deletions
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36
pkgs/development/libraries/science/chemistry/mstore/default.nix Normal file
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@ -0,0 +1,36 @@
{ stdenv
, lib
, fetchFromGitHub
, cmake
, gfortran
, mctc-lib
}:
stdenv.mkDerivation rec {
pname = "mstore";
version = "0.2.0";
src = fetchFromGitHub {
owner = "grimme-lab";
repo = pname;
rev = "v${version}";
hash = "sha256-dN2BulLS/ENRFVdJIrZRxgBV8S4d5+7BjTCGnhBbf4I=";
};
nativeBuildInputs = [ cmake gfortran ];
buildInputs = [ mctc-lib ];
postInstall = ''
substituteInPlace $out/lib/pkgconfig/${pname}.pc \
--replace "''${prefix}" ""
'';
meta = with lib; {
description = "Molecular structure store for testing";
license = licenses.asl20;
homepage = "https://github.com/grimme-lab/mstore";
platforms = platforms.linux;
maintainers = [ maintainers.sheepforce ];
};
}

2
pkgs/top-level/all-packages.nix
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@ -22421,6 +22421,8 @@ with pkgs;
mctc-lib = callPackage ../development/libraries/science/chemistry/mctc-lib { };
mstore = callPackage ../development/libraries/science/chemistry/mstore { };
## libGL/libGLU/Mesa stuff
# Default libGL implementation, should provide headers and