646b892680
Some checks failed
Periodic Merges (6h) / master → staging-nixos (push) Failing after 12m50s
Periodic Merges (6h) / master → staging-next (push) Failing after 12m54s
Periodic Merges (24h) / merge-base(master,staging) → haskell-updates (push) Failing after 11m54s
Periodic Merges (6h) / staging-next → staging (push) Failing after 12m13s
Periodic Merges (24h) / staging-next-25.05 → staging-25.05 (push) Failing after 13m24s
Periodic Merges (24h) / release-25.05 → staging-next-25.05 (push) Failing after 14m28s
67 lines
1.3 KiB
Nix
67 lines
1.3 KiB
Nix
{
|
|
lib,
|
|
stdenv,
|
|
fetchFromGitHub,
|
|
cmake,
|
|
perl,
|
|
gfortran,
|
|
python3,
|
|
boost,
|
|
eigen,
|
|
zlib,
|
|
}:
|
|
|
|
stdenv.mkDerivation rec {
|
|
pname = "pcmsolver";
|
|
version = "1.3.0";
|
|
|
|
src = fetchFromGitHub {
|
|
owner = "PCMSolver";
|
|
repo = "pcmsolver";
|
|
rev = "v${version}";
|
|
sha256 = "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr";
|
|
};
|
|
|
|
# Glibc 2.34 changed SIGSTKSZ to a dynamic value, which breaks
|
|
# PCMsolver. Replace SIGSTKZ by the backward-compatible _SC_SIGSTKSZ.
|
|
postPatch = ''
|
|
substituteInPlace external/Catch/catch.hpp \
|
|
--replace SIGSTKSZ _SC_SIGSTKSZ
|
|
'';
|
|
|
|
nativeBuildInputs = [
|
|
cmake
|
|
gfortran
|
|
perl
|
|
python3
|
|
];
|
|
|
|
buildInputs = [
|
|
boost
|
|
eigen
|
|
zlib
|
|
];
|
|
|
|
# Required for build with gcc-14
|
|
env.NIX_CFLAGS_COMPILE = "-std=c++14";
|
|
|
|
cmakeFlags = [
|
|
"-DENABLE_OPENMP=ON"
|
|
"-DCMAKE_POLICY_VERSION_MINIMUM=3.5"
|
|
];
|
|
|
|
hardeningDisable = [ "format" ];
|
|
|
|
# Requires files, that are not installed.
|
|
doCheck = false;
|
|
|
|
meta = with lib; {
|
|
description = "API for the Polarizable Continuum Model";
|
|
mainProgram = "run_pcm";
|
|
homepage = "https://pcmsolver.readthedocs.io/en/stable/";
|
|
license = licenses.lgpl3Only;
|
|
platforms = platforms.linux;
|
|
maintainers = [ maintainers.sheepforce ];
|
|
};
|
|
}
|