diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/chemistry')
5 files changed, 11 insertions, 8 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/chemtool/default.nix b/nixpkgs/pkgs/applications/science/chemistry/chemtool/default.nix index 3b5d144ba22b..bf78aeb825d5 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/chemtool/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/chemtool/default.nix @@ -46,5 +46,6 @@ stdenv.mkDerivation rec { ''; license = licenses.mit; maintainers = with maintainers; [ AndersonTorres ]; + platforms = platforms.linux; }; } diff --git a/nixpkgs/pkgs/applications/science/chemistry/cp2k/default.nix b/nixpkgs/pkgs/applications/science/chemistry/cp2k/default.nix index 13efa2390ffa..26cf411cb78a 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/cp2k/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/cp2k/default.nix @@ -11,13 +11,13 @@ let in stdenv.mkDerivation rec { pname = "cp2k"; - version = "8.2.0"; + version = "9.1.0"; src = fetchFromGitHub { owner = "cp2k"; repo = "cp2k"; rev = "v${version}"; - sha256 = "0kykq5p318hxjzd4gzqjwv9gqshbdvbg0gnjbd9bdfjx1r6jkjn3"; + hash = "sha256-P9RwZmrE1E0UTQVasQxWAqa3LBLyJNGeJo8T6u5WWcw="; fetchSubmodules = true; }; @@ -50,7 +50,9 @@ in stdenv.mkDerivation rec { postPatch = '' patchShebangs tools exts/dbcsr/tools/build_utils exts/dbcsr/.cp2k - substituteInPlace exts/dbcsr/.cp2k/Makefile --replace '/usr/bin/env python3' '${python3}/bin/python' + substituteInPlace exts/build_dbcsr/Makefile \ + --replace '/usr/bin/env python3' '${python3}/bin/python' \ + --replace 'SHELL = /bin/sh' 'SHELL = bash' ''; configurePhase = '' diff --git a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix index 20b665792ac4..d1d6b436992c 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix @@ -17,14 +17,14 @@ let }; in stdenv.mkDerivation rec { - version = "14.32.6"; + version = "14.32.21"; pname = "jmol"; src = let baseVersion = "${lib.versions.major version}.${lib.versions.minor version}"; in fetchurl { url = "mirror://sourceforge/jmol/Jmol/Version%20${baseVersion}/Jmol%20${version}/Jmol-${version}-binary.tar.gz"; - sha256 = "sha256-b9E/IJfqeA8rBSQogb/ZVBMW3y9bc2dBj/BIl0HWFR8="; + sha256 = "sha256-jJw/y6lQ0bvzOmwOhedufxK0Tuq9Pq6lIPZ97o03Zec="; }; patchPhase = '' diff --git a/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix b/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix index 72958898428a..3c2b11c0e292 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix @@ -4,12 +4,12 @@ with lib; stdenv.mkDerivation rec { pname = "marvin"; - version = "21.20.0"; + version = "22.3.0"; src = fetchurl { name = "marvin-${version}.deb"; url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb"; - sha256 = "sha256-xOtlJSUY7QLyggFXW0Ay3+6KNHIqljyDpyk0CP8jxWs="; + sha256 = "sha256-ASnweoVBYSnO/FjE9tpLgaOAgiPQeUnw7CzwkKRXnAg="; }; nativeBuildInputs = [ dpkg makeWrapper ]; diff --git a/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix b/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix index 9595639d381e..03f7c6c2b40f 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/molden/default.nix @@ -5,7 +5,7 @@ stdenv.mkDerivation rec { pname = "molden"; src = fetchurl { - url = "ftp://ftp.cmbi.umcn.nl/pub/molgraph/molden/molden${version}.tar.gz"; + url = "https://ftp.science.ru.nl/Molden//molden${version}.tar.gz"; sha256 = "02qi16pz2wffn3cc47dpjqhfafzwfmb79waw4nnhfyir8a4h3cq1"; }; |