blob: 2befb41e6355542d0a8860e0bf53f3b112538eb4 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
|
{
lib,
stdenv,
fetchFromGitHub,
cmake,
perl,
gfortran,
python3,
boost,
eigen,
zlib,
}:
stdenv.mkDerivation (finalAttrs: {
pname = "pcmsolver";
version = "1.3.0";
src = fetchFromGitHub {
owner = "PCMSolver";
repo = "pcmsolver";
rev = "v${finalAttrs.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 -Wno-template-body";
cmakeFlags = [
"-DENABLE_OPENMP=ON"
"-DCMAKE_POLICY_VERSION_MINIMUM=3.5"
];
hardeningDisable = [ "format" ];
# Requires files, that are not installed.
doCheck = false;
meta = {
description = "API for the Polarizable Continuum Model";
mainProgram = "run_pcm";
homepage = "https://pcmsolver.readthedocs.io/en/stable/";
license = lib.licenses.lgpl3Only;
platforms = lib.platforms.linux;
maintainers = [ lib.maintainers.sheepforce ];
};
})
|
