blob: d37f8d17336ef1e4c21be467373439b204282440 (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
|
{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack, autoreconfHook
}:
stdenv.mkDerivation rec {
pname = "octopus";
version = "9.1";
src = fetchFromGitLab {
owner = "octopus-code";
repo = "octopus";
rev = version;
sha256 = "1l5fqgllk7rij16q7a3la7qq6isy8a5n37vk400qcscw1v32s90h";
};
nativeBuildInputs = [ perl procps autoreconfHook ];
buildInputs = [ libyaml gfortran libxc openblas gsl fftw netcdf arpack ];
configureFlags = [
"--with-yaml-prefix=${libyaml}"
"--with-blas=-lopenblas"
"--with-lapack=-lopenblas"
"--with-fftw-prefix=${fftw.dev}"
"--with-gsl-prefix=${gsl}"
"--with-libxc-prefix=${libxc}"
];
doCheck = false;
checkTarget = "check-short";
postPatch = ''
patchShebangs ./
'';
postConfigure = ''
patchShebangs testsuite/oct-run_testsuite.sh
'';
enableParallelBuilding = true;
meta = with stdenv.lib; {
description = "Real-space time dependent density-functional theory code";
homepage = https://octopus-code.org;
maintainers = with maintainers; [ markuskowa ];
license = licenses.gpl2;
platforms = [ "x86_64-linux" ];
};
}
|