51 lines
1.1 KiB
Nix
51 lines
1.1 KiB
Nix
{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python3
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, boost, eigen, zlib
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} :
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stdenv.mkDerivation rec {
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pname = "pcmsolver";
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version = "1.3.0";
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src = fetchFromGitHub {
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owner = "PCMSolver";
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repo = pname;
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rev = "v${version}";
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sha256= "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr";
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};
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# Glibc 2.34 changed SIGSTKSZ to a dynamic value, which breaks
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# PCMsolver. Replace SIGSTKZ by the backward-compatible _SC_SIGSTKSZ.
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postPatch = ''
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substituteInPlace external/Catch/catch.hpp \
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--replace SIGSTKSZ _SC_SIGSTKSZ
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'';
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nativeBuildInputs = [
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cmake
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gfortran
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perl
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python3
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];
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buildInputs = [
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boost
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eigen
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zlib
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];
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cmakeFlags = [ "-DENABLE_OPENMP=ON" ];
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hardeningDisable = [ "format" ];
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# Requires files, that are not installed.
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doCheck = false;
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meta = with lib; {
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description = "An API for the Polarizable Continuum Model";
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mainProgram = "run_pcm";
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homepage = "https://pcmsolver.readthedocs.io/en/stable/";
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license = licenses.lgpl3Only;
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platforms = platforms.linux;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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