diff options
Diffstat (limited to 'pkgs/applications/science/chemistry')
3 files changed, 7 insertions, 7 deletions
diff --git a/pkgs/applications/science/chemistry/marvin/default.nix b/pkgs/applications/science/chemistry/marvin/default.nix index b27af67c974f..2c155e4e848f 100644 --- a/pkgs/applications/science/chemistry/marvin/default.nix +++ b/pkgs/applications/science/chemistry/marvin/default.nix @@ -4,12 +4,12 @@ with stdenv.lib; stdenv.mkDerivation rec { pname = "marvin"; - version = "20.4.0"; + version = "20.6.0"; src = fetchurl { name = "marvin-${version}.deb"; url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb"; - sha256 = "12kygxq24in7hbp7shkx1baqig8rwmzvv0d3kc3ld9sj9hb0a2n1"; + sha256 = "1vd1hsj36wzghpn6xnppjmva35kdcin7h0xdj3xmi4w5l3qw7fl6"; }; nativeBuildInputs = [ dpkg makeWrapper ]; diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix index d37f8d17336e..a5abbe2d1de6 100644 --- a/pkgs/applications/science/chemistry/octopus/default.nix +++ b/pkgs/applications/science/chemistry/octopus/default.nix @@ -4,13 +4,13 @@ stdenv.mkDerivation rec { pname = "octopus"; - version = "9.1"; + version = "9.2"; src = fetchFromGitLab { owner = "octopus-code"; repo = "octopus"; rev = version; - sha256 = "1l5fqgllk7rij16q7a3la7qq6isy8a5n37vk400qcscw1v32s90h"; + sha256 = "083z51sjv70asr04rv53wb9gf4396nblq1zl22qw7jdr28hji4is"; }; nativeBuildInputs = [ perl procps autoreconfHook ]; diff --git a/pkgs/applications/science/chemistry/quantum-espresso/default.nix b/pkgs/applications/science/chemistry/quantum-espresso/default.nix index ea80e9fd5ca7..bd420519ce01 100644 --- a/pkgs/applications/science/chemistry/quantum-espresso/default.nix +++ b/pkgs/applications/science/chemistry/quantum-espresso/default.nix @@ -4,12 +4,12 @@ }: stdenv.mkDerivation rec { - version = "6.4.1"; + version = "6.5"; pname = "quantum-espresso"; src = fetchurl { url = "https://gitlab.com/QEF/q-e/-/archive/qe-${version}/q-e-qe-${version}.tar.gz"; - sha256 = "027skhp2zzx0f4mh6azqjljdimchak5cdn13v4x7aj5q2zvfkmxh"; + sha256 = "00nnsq1vq579xsmkvwrgs6bdqdcbdlsmcp4yfynnvs40ca52m2r5"; }; passthru = { @@ -35,7 +35,7 @@ configureFlags = if (mpi != null) then [ "LD=${mpi}/bin/mpif90" ] else [ "LD=${g nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. ''; - homepage = https://www.quantum-espresso.org/; + homepage = "https://www.quantum-espresso.org/"; license = licenses.gpl2; platforms = [ "x86_64-linux" ]; maintainers = [ maintainers.costrouc ]; |