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{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps |
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, libyaml, libxc, fftw, openblas, gsl |
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}: |
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|
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let |
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version = "7.2"; |
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fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; }; |
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|
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in stdenv.mkDerivation { |
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name = "octopus-${version}"; |
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|
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src = fetchurl { |
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url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz"; |
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sha256 = "03zzmq72zdnjkhifbmlxs7ig7x6sf6mv8zv9mxhakm9hzwa9yn7m"; |
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}; |
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|
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nativeBuildInputs = [ perl procps fftw.dev ]; |
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buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out ]; |
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|
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configureFlags = '' |
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--with-yaml-prefix=${libyaml} |
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--with-blas=-lopenblas |
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--with-lapack=-lopenblas |
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--with-fftw-prefix=${fftwAll} |
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--with-gsl-prefix=${gsl} |
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--with-libxc-prefix=${libxc} |
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''; |
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|
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doCheck = false; |
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checkTarget = "check-short"; |
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|
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postPatch = '' |
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patchShebangs ./ |
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''; |
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|
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postConfigure = '' |
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patchShebangs testsuite/oct-run_testsuite.sh |
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''; |
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|
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meta = with stdenv.lib; { |
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description = "Real-space time dependent density-functional theory code"; |
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homepage = http://octopus-code.org; |
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maintainers = with maintainers; [ markuskowa ]; |
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license = licenses.gpl2; |
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platforms = [ "x86_64-linux" ]; |
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}; |
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} |
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