ff1a94e523
The nixpkgs-unstable channel's programs.sqlite was used to identify packages producing exactly one binary, and these automatically added to their package definitions wherever possible.
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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