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| author | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2021-01-09 16:29:58 +0100 |
|---|---|---|
| committer | Markus Kowalewski <markus.kowalewski@fysik.su.se> | 2021-01-09 16:32:49 +0100 |
| commit | 14caa4b2bfcd815360ed8a003150a6f73a200f15 (patch) | |
| tree | 8b56c81082e9b801113666d84c3252cc141b4303 /pkgs/applications/science/chemistry | |
| parent | 0961d5b99897244627603db67fdd05b2bc1bebea (diff) | |
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octopus: 10.0 -> 10.3
Diffstat (limited to 'pkgs/applications/science/chemistry')
| -rw-r--r-- | pkgs/applications/science/chemistry/octopus/default.nix | 18 |
1 files changed, 15 insertions, 3 deletions
diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix index 4d186af6c09b..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}" |