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author | Vladimír Čunát <v@cunat.cz> | 2019-08-24 08:19:05 +0200 |
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committer | Vladimír Čunát <v@cunat.cz> | 2019-08-24 08:55:37 +0200 |
commit | 2e6bf42a2207d5ecfe6e67de2def6e004a0eb1f1 (patch) | |
tree | 36de0660dc2c9f3731bd8b60ec852ca0c452efce /pkgs/applications/science/chemistry | |
parent | 84a91208a948be5eca97ea182c4256d9d6ecf171 (diff) | |
parent | 8943fb5f24b9e1aa1d577be4e214d166643269fd (diff) | |
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Merge branch 'master' into staging-next
There ver very many conflicts, basically all due to name -> pname+version. Fortunately, almost everything was auto-resolved by kdiff3, and for now I just fixed up a couple evaluation problems, as verified by the tarball job. There might be some fallback to these conflicts, but I believe it should be minimal. Hydra nixpkgs: ?compare=1538299
Diffstat (limited to 'pkgs/applications/science/chemistry')
-rw-r--r-- | pkgs/applications/science/chemistry/octopus/default.nix | 26 |
1 files changed, 12 insertions, 14 deletions
diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix index dfb04ccd1de9..6dec5b3b11f1 100644 --- a/pkgs/applications/science/chemistry/octopus/default.nix +++ b/pkgs/applications/science/chemistry/octopus/default.nix @@ -1,28 +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 ]; }; - -in stdenv.mkDerivation { +stdenv.mkDerivation rec { pname = "octopus"; - inherit version; + version = "9.1"; - 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}" ]; |