tjh.dev
nixpkgs mirror (for testing)
github.com/NixOS/nixpkgs
nix
1{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python
2, boost, eigen, zlib
3} :
4
5stdenv.mkDerivation rec {
6 pname = "pcmsolver";
7 version = "1.3.0";
8
9 src = fetchFromGitHub {
10 owner = "PCMSolver";
11 repo = pname;
12 rev = "v${version}";
13 sha256= "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr";
14 };
15
16 nativeBuildInputs = [
17 cmake
18 gfortran
19 perl
20 python
21 ];
22
23 buildInputs = [
24 boost
25 eigen
26 zlib
27 ];
28
29 cmakeFlags = [ "-DENABLE_OPENMP=ON" ];
30
31 hardeningDisable = [ "format" ];
32
33 # Requires files, that are not installed.
34 doCheck = false;
35
36 meta = with lib; {
37 description = "An API for the Polarizable Continuum Model";
38 homepage = "https://pcmsolver.readthedocs.io/en/stable/";
39 license = licenses.lgpl3Only;
40 platforms = platforms.linux;
41 maintainers = [ maintainers.sheepforce ];
42 };
43}