diff --git a/pkgs/development/libraries/pcmsolver/default.nix b/pkgs/development/libraries/pcmsolver/default.nix new file mode 100644 index 00000000000..8cd4b318cc5 --- /dev/null +++ b/pkgs/development/libraries/pcmsolver/default.nix @@ -0,0 +1,43 @@ +{ lib, stdenv, fetchFromGitHub, cmake, perl, gfortran, python +, boost, eigen, zlib +} : + +stdenv.mkDerivation rec { + pname = "pcmsolver"; + version = "1.3.0"; + + src = fetchFromGitHub { + owner = "PCMSolver"; + repo = pname; + rev = "v${version}"; + sha256= "0jrxr8z21hjy7ik999hna9rdqy221kbkl3qkb06xw7g80rc9x9yr"; + }; + + nativeBuildInputs = [ + cmake + gfortran + perl + python + ]; + + buildInputs = [ + boost + eigen + zlib + ]; + + cmakeFlags = [ "-DENABLE_OPENMP=ON" ]; + + hardeningDisable = [ "format" ]; + + # Requires files, that are not installed. + doCheck = false; + + meta = with lib; { + description = "An API for the Polarizable Continuum Model"; + homepage = "https://pcmsolver.readthedocs.io/en/stable/"; + license = licenses.lgpl3Only; + platforms = platforms.linux; + maintainers = [ maintainers.sheepforce ]; + }; +} diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 974595bb119..efc96dae1b1 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -7156,6 +7156,8 @@ in pasystray = callPackage ../tools/audio/pasystray { }; + pcmsolver = callPackage ../development/libraries/pcmsolver { }; + phash = callPackage ../development/libraries/phash { }; pnmixer = callPackage ../tools/audio/pnmixer { };