pyrox.dev
greenx: initi at 2.2
+48
pkgs/by-name/gr/greenx/package.nix
+48
pkgs/by-name/gr/greenx/package.nix
···
···
1
+
{
2
+
stdenv,
3
+
lib,
4
+
fetchFromGitHub,
5
+
gfortran,
6
+
cmake,
7
+
pkg-config,
8
+
blas,
9
+
lapack,
10
+
}:
11
+
12
+
stdenv.mkDerivation rec {
13
+
pname = "greenx";
14
+
version = "2.2";
15
+
16
+
src = fetchFromGitHub {
17
+
owner = "nomad-coe";
18
+
repo = "greenx";
19
+
rev = "v${version}";
20
+
hash = "sha256-otIs2Y79KoEL4ut8YQe7Y27LpmpId8h/X8B6GIg8l+E=";
21
+
};
22
+
23
+
nativeBuildInputs = [
24
+
gfortran
25
+
pkg-config
26
+
cmake
27
+
];
28
+
29
+
buildInputs = [
30
+
blas
31
+
lapack
32
+
];
33
+
34
+
# Uses a hacky python setup run by cmake, which is hard to get running
35
+
doCheck = false;
36
+
37
+
preCheck = ''
38
+
export OMP_NUM_THREADS=2
39
+
'';
40
+
41
+
meta = with lib; {
42
+
description = "Library for Green’s function based electronic structure theory calculations";
43
+
license = [ licenses.asl20 ];
44
+
homepage = "https://github.com/nomad-coe/greenX";
45
+
platforms = platforms.linux;
46
+
maintainers = [ maintainers.sheepforce ];
47
+
};
48
+
}