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author | Alyssa Ross <hi@alyssa.is> | 2022-03-15 10:36:38 +0000 |
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committer | Alyssa Ross <hi@alyssa.is> | 2022-03-16 11:37:19 +0000 |
commit | d435710923ac6e6f9fc155534800745004f2ce93 (patch) | |
tree | 386f9401476f96bdc6ec25173a090198942b5d5b /nixpkgs/pkgs/applications/science/chemistry | |
parent | c725f0011e91ae49d351b981690eb66b862b6104 (diff) | |
parent | 3239fd2b8f728106491154b44625662e10259af2 (diff) | |
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Merge commit '3239fd2b8f728106491154b44625662e10259af2'
Conflicts: nixpkgs/pkgs/applications/window-managers/sway/default.nix
Diffstat (limited to 'nixpkgs/pkgs/applications/science/chemistry')
4 files changed, 26 insertions, 10 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/d-seams/default.nix b/nixpkgs/pkgs/applications/science/chemistry/d-seams/default.nix index f5e21db4b55a..74260bacabcc 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/d-seams/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/d-seams/default.nix @@ -2,13 +2,13 @@ , eigen, lua, luaPackages, liblapack, blas, lib, boost, gsl }: clangStdenv.mkDerivation rec { - version = "v1.0.1"; + version = "1.0.1"; pname = "d-SEAMS"; src = fetchFromGitHub { owner = "d-SEAMS"; repo = "seams-core"; - rev = "v1.0.1"; + rev = "v${version}"; sha256 = "03zhhl9vhi3rhc3qz1g3zb89jksgpdlrk15fcr8xcz8pkj6r5b1i"; }; diff --git a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix index d1d6b436992c..3f837edb4c8b 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix @@ -12,19 +12,27 @@ let exec = "jmol"; desktopName = "JMol"; genericName = "Molecular Modeler"; - mimeType = "chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;"; - categories = "Graphics;Education;Science;Chemistry;"; + mimeTypes = [ + "chemical/x-pdb" + "chemical/x-mdl-molfile" + "chemical/x-mol2" + "chemical/seq-aa-fasta" + "chemical/seq-na-fasta" + "chemical/x-xyz" + "chemical/x-mdl-sdf" + ]; + categories = [ "Graphics" "Education" "Science" "Chemistry" ]; }; in stdenv.mkDerivation rec { - version = "14.32.21"; + version = "14.32.30"; pname = "jmol"; src = let baseVersion = "${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-jJw/y6lQ0bvzOmwOhedufxK0Tuq9Pq6lIPZ97o03Zec="; + sha256 = "sha256-VpOoduUA0iD+nI83GSQYQDHoK2Snog0NHkHWHfpLqFM="; }; patchPhase = '' diff --git a/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix b/nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix index 3c2b11c0e292..698095715cc5 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 = "22.3.0"; + version = "22.7.0"; src = fetchurl { name = "marvin-${version}.deb"; url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb"; - sha256 = "sha256-ASnweoVBYSnO/FjE9tpLgaOAgiPQeUnw7CzwkKRXnAg="; + sha256 = "sha256-xK4C+0/Qpc2vXPmsI8KuHuDJLmJ5LXdAfRIREE+gkWA="; }; nativeBuildInputs = [ dpkg makeWrapper ]; diff --git a/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix index 39bbae77a66e..5f7c0c1f6be7 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix @@ -24,8 +24,16 @@ let genericName = "Molecular Modeler"; comment = description; icon = pname; - mimeType = "chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;"; - categories = "Graphics;Education;Science;Chemistry;"; + mimeTypes = [ + "chemical/x-pdb" + "chemical/x-mdl-molfile" + "chemical/x-mol2" + "chemical/seq-aa-fasta" + "chemical/seq-na-fasta" + "chemical/x-xyz" + "chemical/x-mdl-sdf" + ]; + categories = [ "Graphics" "Education" "Science" "Chemistry" ]; }; in python3Packages.buildPythonApplication rec { |