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| author | github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com> | 2021-01-10 01:03:35 +0000 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-01-10 01:03:35 +0000 |
| commit | 433c7b069cd23e6aa5076cf5414e6c46023df795 (patch) | |
| tree | 690c945d9be403f9d834c5d9dd9b922c084cceb9 /pkgs/applications/science/chemistry | |
| parent | fcbe48c79793e614092ba278e05d5594995a88e3 (diff) | |
| parent | db1dd04c9f49d6cfb1d22977a9b8f88e72e3e41d (diff) | |
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Merge master into staging-next
Diffstat (limited to 'pkgs/applications/science/chemistry')
| -rw-r--r-- | pkgs/applications/science/chemistry/octopus/default.nix | 20 |
1 files changed, 16 insertions, 4 deletions
diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix index f8eb064e1fd7..05f93a1a2055 100644 --- a/pkgs/applications/science/chemistry/octopus/default.nix +++ b/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}" @@ -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" ]; }; } |