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Merge pull request #108864 from markuskowa/upd-octopus

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octopus: 10.0 -> 10.3
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markuskowa 2021-01-10 00:18:04 +01:00 committed by GitHub
commit 965d351a54
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1 changed files with 16 additions and 4 deletions
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20
pkgs/applications/science/chemistry/octopus/default.nix
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@ -1,22 +1,34 @@
{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook
, python3
}:
assert (!blas.isILP64) && (!lapack.isILP64);
stdenv.mkDerivation rec {
pname = "octopus";
version = "10.0";
version = "10.3";
src = fetchFromGitLab {
owner = "octopus-code";
repo = "octopus";
rev = version;
sha256 = "1c6q20y0x9aacwa7vp6gj3yvfzain7hnk6skxmvg3wazp02l91kn";
sha256 = "1axr3j53mi30gm3f645ga5jkhxbc7rbx432w2k2lgg6g9dv3fcs4";
};
nativeBuildInputs = [ perl procps autoreconfHook ];
buildInputs = [ libyaml gfortran libxc blas lapack gsl fftw netcdf arpack ];
buildInputs = [
libyaml
gfortran
libxc
blas
lapack
gsl
fftw
netcdf
arpack
(python3.withPackages (ps: [ ps.pyyaml ]))
];
configureFlags = [
"--with-yaml-prefix=${libyaml}"
@ -44,7 +56,7 @@ stdenv.mkDerivation rec {
description = "Real-space time dependent density-functional theory code";
homepage = "https://octopus-code.org";
maintainers = with maintainers; [ markuskowa ];
license = licenses.gpl2;
license = with licenses; [ gpl2Only asl20 lgpl3Plus bsd3 ];
platforms = [ "x86_64-linux" ];
};
}