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author | Sandro <sandro.jaeckel@gmail.com> | 2021-07-09 00:39:01 +0200 |
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committer | Phillip Seeber <phillip.seeber@googlemail.com> | 2021-07-09 10:40:51 +0200 |
commit | 43b68c4bca0711e3b5aaa2fac84bdf4b5d915a41 (patch) | |
tree | 3f256e4547da9d3b69a6e1da0f30677ee62f47ad /pkgs/applications/science | |
parent | a99ecbd5f5803959f5ebc78c325250f5e54465be (diff) |
dkh: init at 1.2
Apply suggestions from code review
Diffstat (limited to 'pkgs/applications/science')
-rw-r--r-- | pkgs/applications/science/chemistry/dkh/default.nix | 32 |
1 files changed, 32 insertions, 0 deletions
diff --git a/pkgs/applications/science/chemistry/dkh/default.nix b/pkgs/applications/science/chemistry/dkh/default.nix new file mode 100644 index 0000000000000..a0bed24336a99 --- /dev/null +++ b/pkgs/applications/science/chemistry/dkh/default.nix @@ -0,0 +1,32 @@ +{ lib, stdenv, gfortran, fetchFromGitHub, cmake } : + +stdenv.mkDerivation rec { + pname = "dkh"; + version = "1.2"; + + src = fetchFromGitHub { + owner = "psi4"; + repo = pname; + rev = "v${version}"; + sha256= "1wb4qmb9f8rnrwnnw1gdhzx1fmhy628bxfrg56khxy3j5ljxkhck"; + }; + + nativeBuildInputs = [ + gfortran + cmake + ]; + + cmakeFlags = [ "-DBUILD_SHARED_LIBS=ON" ]; + + hardeningDisable = [ + "format" + ]; + + meta = with lib; { + description = "Arbitrary-order scalar-relativistic Douglas-Kroll-Hess module"; + license = licenses.lgpl3Only; + homepage = "https://github.com/psi4/dkh"; + platforms = platforms.unix; + maintainers = [ maintainers.sheepforce ]; + }; +} |