diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/chemistry')
-rw-r--r-- | nixpkgs/pkgs/applications/science/chemistry/avogadro2/default.nix | 18 | ||||
-rw-r--r-- | nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix | 17 |
2 files changed, 25 insertions, 10 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/avogadro2/default.nix b/nixpkgs/pkgs/applications/science/chemistry/avogadro2/default.nix index 437123faafd8..6931c8621c96 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/avogadro2/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/avogadro2/default.nix @@ -2,17 +2,29 @@ , openbabel, qttools, wrapQtAppsHook }: -stdenv.mkDerivation rec { +let + avogadroI18N = fetchFromGitHub { + owner = "OpenChemistry"; + repo = "avogadro-i18n"; + rev = "3b8a86cc37e988b043d1503d2f11068389b0aca3"; + sha256 = "9wLY7/EJyIZYnlUAMsViCwD5kGc1vCNbk8vUhb90LMQ="; + }; + +in stdenv.mkDerivation rec { pname = "avogadro2"; - version = "1.94.0"; + version = "1.95.1"; src = fetchFromGitHub { owner = "OpenChemistry"; repo = "avogadroapp"; rev = version; - sha256 = "6RaiX23YUMfTYAuSighcLGGlJtqeydNgi3PWGF77Jp8="; + sha256 = "9GnsxQsMuik6CPDmJbJPF0/+LXbZHf/JLevpSsMEoP0="; }; + postUnpack = '' + cp -r ${avogadroI18N} avogadro-i18n + ''; + nativeBuildInputs = [ cmake wrapQtAppsHook ]; buildInputs = [ diff --git a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix index 7b3a69ae775b..7ee46f7d7e22 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix @@ -1,16 +1,19 @@ -{ lib, stdenv, fetchurl +{ lib, stdenv , gfortran, blas, lapack, scalapack , useMpi ? false , mpi +, fetchFromGitLab }: -stdenv.mkDerivation { - version = "4.1-b3"; +stdenv.mkDerivation rec { + version = "4.1.5"; pname = "siesta"; - src = fetchurl { - url = "https://launchpad.net/siesta/4.1/4.1-b3/+download/siesta-4.1-b3.tar.gz"; - sha256 = "1450jsxj5aifa0b5fcg7mxxq242fvqnp4zxpgzgbkdp99vrp06gm"; + src = fetchFromGitLab { + owner = "siesta-project"; + repo = "siesta"; + rev = "v${version}"; + sha256 = "0lz8rfl5xwdj17zn7a30ipi7cgjwqki21a7wg9rdg7iwx27bpnmg"; }; passthru = { @@ -64,7 +67,7 @@ stdenv.mkDerivation { matching the quality of other approaches, such as plane-wave and all-electron methods. ''; - homepage = "https://www.quantum-espresso.org/"; + homepage = "https://siesta-project.org/siesta/"; license = licenses.gpl2; platforms = [ "x86_64-linux" ]; maintainers = [ maintainers.costrouc ]; |