octopus: 10.0 -> 10.3

wip/yesman
Markus Kowalewski 3 years ago
parent 0961d5b998
commit 14caa4b2bf
No known key found for this signature in database
GPG Key ID: 502A248E3FB4FF48
  1. 18
      pkgs/applications/science/chemistry/octopus/default.nix

@ -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}"

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