67 lines
1.3 KiB
Nix
67 lines
1.3 KiB
Nix
{
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lib,
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stdenv,
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fetchFromGitHub,
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cmake,
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perl,
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gfortran,
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python3,
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boost,
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eigen,
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zlib,
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}:
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stdenv.mkDerivation (finalAttrs: {
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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 = "pcmsolver";
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rev = "v${finalAttrs.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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# Required for build with gcc-14
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env.NIX_CFLAGS_COMPILE = "-std=c++14 -Wno-template-body";
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cmakeFlags = [
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"-DENABLE_OPENMP=ON"
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"-DCMAKE_POLICY_VERSION_MINIMUM=3.5"
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];
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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 = {
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description = "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 = lib.licenses.lgpl3Only;
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platforms = lib.platforms.linux;
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maintainers = [ lib.maintainers.sheepforce ];
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};
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})
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