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octopus: 10.0 -> 10.3

This commit is contained in:
Markus Kowalewski 2021-01-09 16:29:58 +01:00
parent 0961d5b998
commit 14caa4b2bf
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GPG Key ID: 502A248E3FB4FF48
1 changed files with 15 additions and 3 deletions
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18
pkgs/applications/science/chemistry/octopus/default.nix
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@ -1,22 +1,34 @@
{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps { stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook , libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook
, python3
}: }:
assert (!blas.isILP64) && (!lapack.isILP64); assert (!blas.isILP64) && (!lapack.isILP64);
stdenv.mkDerivation rec { stdenv.mkDerivation rec {
pname = "octopus"; pname = "octopus";
version = "10.0"; version = "10.3";
src = fetchFromGitLab { src = fetchFromGitLab {
owner = "octopus-code"; owner = "octopus-code";
repo = "octopus"; repo = "octopus";
rev = version; rev = version;
sha256 = "1c6q20y0x9aacwa7vp6gj3yvfzain7hnk6skxmvg3wazp02l91kn"; sha256 = "1axr3j53mi30gm3f645ga5jkhxbc7rbx432w2k2lgg6g9dv3fcs4";
}; };
nativeBuildInputs = [ perl procps autoreconfHook ]; 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 = [ configureFlags = [
"--with-yaml-prefix=${libyaml}" "--with-yaml-prefix=${libyaml}"