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author | Phillip <sheepforce@users.noreply.github.com> | 2021-06-21 10:22:19 +0200 |
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committer | Phillip Seeber <phillip.seeber@googlemail.com> | 2021-06-21 10:24:23 +0200 |
commit | ec92453a348707218c8650b679d8aa19fb636370 (patch) | |
tree | 4bab71d3e08ab87086f1330ec6e624087792e42b /pkgs/development/libraries | |
parent | 44b5c7496099b9b310c15ff194e556c082f9246c (diff) | |
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xcfun: init at 2.1.1
Update pkgs/development/libraries/science/chemistry/xcfun/default.nix Co-authored-by: Sandro <sandro.jaeckel@gmail.com> Update pkgs/development/libraries/science/chemistry/xcfun/default.nix Co-authored-by: Sandro <sandro.jaeckel@gmail.com> Update pkgs/development/libraries/science/chemistry/xcfun/default.nix Co-authored-by: Sandro <sandro.jaeckel@gmail.com> Update pkgs/development/libraries/science/chemistry/xcfun/default.nix Co-authored-by: Sandro <sandro.jaeckel@gmail.com> Update pkgs/development/libraries/science/chemistry/xcfun/default.nix Co-authored-by: Sandro <sandro.jaeckel@gmail.com>
Diffstat (limited to 'pkgs/development/libraries')
-rw-r--r-- | pkgs/development/libraries/science/chemistry/xcfun/default.nix | 30 |
1 files changed, 30 insertions, 0 deletions
diff --git a/pkgs/development/libraries/science/chemistry/xcfun/default.nix b/pkgs/development/libraries/science/chemistry/xcfun/default.nix new file mode 100644 index 00000000000..7f8ef3dc47d --- /dev/null +++ b/pkgs/development/libraries/science/chemistry/xcfun/default.nix @@ -0,0 +1,30 @@ +{ stdenv, lib, fetchFromGitHub, cmake, gfortran, python3 } : + +stdenv.mkDerivation rec { + pname = "xcfun"; + version = "2.1.1"; + + src = fetchFromGitHub { + owner = "dftlibs"; + repo = pname; + rev = "v${version}"; + sha256= "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid"; + }; + + nativeBuildInputs = [ + cmake + gfortran + ]; + + propagatedBuildInputs = [ (python3.withPackages (p: with p; [ pybind11 ])) ]; + + cmakeFlags = [ "-DXCFUN_MAX_ORDER=3" ]; + + meta = with lib; { + description = "A library of exchange-correlation functionals with arbitrary-order derivatives"; + homepage = "https://github.com/dftlibs/xcfun"; + license = licenses.mpl20; + platforms = platforms.linux; + maintainers = [ maintainers.sheepforce ]; + }; +} |