libvdwxc: passthru mpi and do checks libvdwxc: formatting libvdwxc: fix evaluationmain
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f9ad9aab79
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{ stdenv |
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, lib |
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, fetchFromGitLab |
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, gfortran |
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, autoreconfHook |
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, fftwMpi |
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, mpi |
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}: |
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stdenv.mkDerivation rec { |
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pname = "libvdwxc"; |
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# Stable version has non-working MPI detection. |
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version = "unstable-24.02.2020"; |
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src = fetchFromGitLab { |
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owner = "libvdwxc"; |
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repo = pname; |
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rev = "92f4910c6ac88e111db2fb3a518089d0510c53b0"; |
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sha256 = "1c7pjrvifncbdyngs2bv185imxbcbq64nka8gshhp8n2ns6fids6"; |
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}; |
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nativeBuildInputs = [ autoreconfHook gfortran ]; |
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propagatedBuildInputs = [ mpi fftwMpi ]; |
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preConfigure = '' |
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mkdir build && cd build |
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export PATH=$PATH:${mpi}/bin |
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configureFlagsArray+=( |
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--with-mpi=${mpi} |
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CC=mpicc |
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FC=mpif90 |
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MPICC=mpicc |
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MPIFC=mpif90 |
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) |
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''; |
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configureScript = "../configure"; |
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hardeningDisable = [ "format" ]; |
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doCheck = true; |
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meta = with lib; { |
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description = "Portable C library of density functionals with van der Waals interactions for density functional theory"; |
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license = with licenses; [ lgpl3Plus bsd3 ]; |
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homepage = "https://libvdwxc.org/"; |
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platforms = platforms.unix; |
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maintainers = [ maintainers.sheepforce ]; |
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}; |
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} |
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