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octopus: 9.0 -> 9.1

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* switch to GitLab download
* cleanup fftw dependence
This commit is contained in:
Markus Kowalewski 2019-08-19 10:24:44 +02:00
parent 9cb419ee2c
commit a81bb36249
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GPG key ID: 502A248E3FB4FF48
1 changed files with 13 additions and 14 deletions
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27
pkgs/applications/science/chemistry/octopus/default.nix
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@ -1,27 +1,26 @@
{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack
{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack, autoreconfHook
}:
let
version = "9.0";
fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; };
stdenv.mkDerivation rec {
pname = "octopus";
version = "9.1";
in stdenv.mkDerivation {
name = "octopus-${version}";
src = fetchurl {
url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz";
sha256 = "0p1gjykjnzm4m93mgjsmnxd0n2j381jk5kn3a7gkzxanixp60ilm";
src = fetchFromGitLab {
owner = "octopus-code";
repo = "octopus";
rev = version;
sha256 = "1l5fqgllk7rij16q7a3la7qq6isy8a5n37vk400qcscw1v32s90h";
};
nativeBuildInputs = [ perl procps fftw.dev ];
buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out netcdf arpack ];
nativeBuildInputs = [ perl procps autoreconfHook ];
buildInputs = [ libyaml gfortran libxc openblas gsl fftw netcdf arpack ];
configureFlags = [
"--with-yaml-prefix=${libyaml}"
"--with-blas=-lopenblas"
"--with-lapack=-lopenblas"
"--with-fftw-prefix=${fftwAll}"
"--with-fftw-prefix=${fftw.dev}"
"--with-gsl-prefix=${gsl}"
"--with-libxc-prefix=${libxc}"
];