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@ -1,22 +1,34 @@ |
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{ stdenv, fetchFromGitLab, symlinkJoin, gfortran, perl, procps |
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, libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook |
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, python3 |
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}: |
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assert (!blas.isILP64) && (!lapack.isILP64); |
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stdenv.mkDerivation rec { |
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pname = "octopus"; |
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version = "10.0"; |
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version = "10.3"; |
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src = fetchFromGitLab { |
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owner = "octopus-code"; |
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repo = "octopus"; |
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rev = version; |
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sha256 = "1c6q20y0x9aacwa7vp6gj3yvfzain7hnk6skxmvg3wazp02l91kn"; |
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sha256 = "1axr3j53mi30gm3f645ga5jkhxbc7rbx432w2k2lgg6g9dv3fcs4"; |
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}; |
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nativeBuildInputs = [ perl procps autoreconfHook ]; |
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buildInputs = [ libyaml gfortran libxc blas lapack gsl fftw netcdf arpack ]; |
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buildInputs = [ |
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libyaml |
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gfortran |
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libxc |
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blas |
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lapack |
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gsl |
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fftw |
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netcdf |
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arpack |
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(python3.withPackages (ps: [ ps.pyyaml ])) |
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]; |
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configureFlags = [ |
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"--with-yaml-prefix=${libyaml}" |
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