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authorAlyssa Ross <hi@alyssa.is>2022-03-15 10:36:38 +0000
committerAlyssa Ross <hi@alyssa.is>2022-03-16 11:37:19 +0000
commitd435710923ac6e6f9fc155534800745004f2ce93 (patch)
tree386f9401476f96bdc6ec25173a090198942b5d5b /nixpkgs/pkgs/applications/science/chemistry
parentc725f0011e91ae49d351b981690eb66b862b6104 (diff)
parent3239fd2b8f728106491154b44625662e10259af2 (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')
-rw-r--r--nixpkgs/pkgs/applications/science/chemistry/d-seams/default.nix4
-rw-r--r--nixpkgs/pkgs/applications/science/chemistry/jmol/default.nix16
-rw-r--r--nixpkgs/pkgs/applications/science/chemistry/marvin/default.nix4
-rw-r--r--nixpkgs/pkgs/applications/science/chemistry/pymol/default.nix12
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 {