marvin: init at 19.1.0
Also adding myself (fusion809) as a maintainer. The marvin Nix file in this commit is largely thanks to @msteen.
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@ -1586,6 +1586,11 @@
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email = "eocallaghan@alterapraxis.com";
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email = "eocallaghan@alterapraxis.com";
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name = "Edward O'Callaghan";
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name = "Edward O'Callaghan";
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};
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};
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fusion809 = {
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email = "brentonhorne77@gmail.com";
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github = "fusion809";
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name = "Brenton Horne";
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};
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fuuzetsu = {
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fuuzetsu = {
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email = "fuuzetsu@fuuzetsu.co.uk";
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email = "fuuzetsu@fuuzetsu.co.uk";
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github = "fuuzetsu";
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github = "fuuzetsu";
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@ -0,0 +1,9 @@
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#!/usr/bin/env xdg-open
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[Desktop Entry]
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Type=Application
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Name=ChemAxon License Manager
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Exec=@out@/bin/LicenseManager
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Icon=LicenseManager
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Categories=Education;Science;Chemistry;
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StartupWMClass=com-install4j-runtime-launcher-UnixLauncher
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Comment=License manager for ChemAxon software like MarvinSketch
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#!/usr/bin/env xdg-open
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[Desktop Entry]
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Type=Application
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Name=MarvinSketch
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Exec=@out@/bin/msketch %f
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Icon=MarvinSketch
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MimeType=text/xml;text/plain;chemical/x-cml;chemical/x-mdl-molfile;chemical/x-mdl-sdfile;chemical/x-mol2;chemical/x-pdb;chemical/x-xyz;chemical/x-mdl-rdfile;chemical/x-mdl-rxnfile;chemical/x-inchi;
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Categories=Education;Science;Chemistry;
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StartupWMClass=com-install4j-runtime-launcher-UnixLauncher
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Comment=Molecular modelling, analysis and structure drawing program
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#!/usr/bin/env xdg-open
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[Desktop Entry]
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Type=Application
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Name=MarvinView
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Exec=@out@/bin/mview %f
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Icon=MarvinView
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Comment=Molecule viewing program
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MimeType=text/xml;text/plain;chemical/x-cml;chemical/x-mdl-molfile;chemical/x-mdl-sdfile;chemical/x-mol2;chemical/x-pdb;chemical/x-xyz;chemical/x-mdl-rdfile;chemical/x-mdl-rxnfile;chemical/x-inchi;
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Categories=Education;Science;Chemistry;
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StartupWMClass=com-install4j-runtime-launcher-UnixLauncher
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@ -0,0 +1,49 @@
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{ stdenv, fetchurl, dpkg, makeWrapper, coreutils, gawk, gnugrep, gnused, jre }:
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with stdenv.lib;
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stdenv.mkDerivation rec {
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name = "${pname}-${version}";
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pname = "marvin";
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version = "19.1.0";
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src = fetchurl {
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name = "marvin-${version}.deb";
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url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb";
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sha256 = "1ccsimfvms5q4prjyk6sg5hsc3hkcjjfq3gl7jjm8dgd2173zzyc";
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};
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nativeBuildInputs = [ dpkg makeWrapper ];
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unpackPhase = ''
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dpkg-deb -x $src opt
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'';
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installPhase = ''
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wrapBin() {
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makeWrapper $1 $out/bin/$(basename $1) \
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--set INSTALL4J_JAVA_HOME "${jre}" \
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--prefix PATH : ${makeBinPath [ coreutils gawk gnugrep gnused ]}
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}
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cp -r opt $out
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mkdir -p $out/bin $out/share/pixmaps $out/share/applications
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for name in LicenseManager MarvinSketch MarvinView; do
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wrapBin $out/opt/chemaxon/marvinsuite/$name
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ln -s {$out/opt/chemaxon/marvinsuite/.install4j,$out/share/pixmaps}/$name.png
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done
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for name in cxcalc cxtrain evaluate molconvert mview msketch; do
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wrapBin $out/opt/chemaxon/marvinsuite/bin/$name
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done
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${concatStrings (map (name: ''
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substitute ${./. + "/${name}.desktop"} $out/share/applications/${name}.desktop --subst-var out
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'') [ "LicenseManager" "MarvinSketch" "MarvinView" ])}
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'';
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meta = {
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description = "A chemical modelling, analysis and structure drawing program";
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homepage = https://chemaxon.com/products/marvin;
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maintainers = with maintainers; [ fusion809 ];
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license = licenses.unfree;
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platforms = platforms.linux;
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};
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}
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@ -21395,6 +21395,8 @@ in
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jmol = callPackage ../applications/science/chemistry/jmol { };
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jmol = callPackage ../applications/science/chemistry/jmol { };
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marvin = callPackage ../applications/science/chemistry/marvin { };
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molden = callPackage ../applications/science/chemistry/molden { };
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molden = callPackage ../applications/science/chemistry/molden { };
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octopus = callPackage ../applications/science/chemistry/octopus { openblas=openblasCompat; };
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octopus = callPackage ../applications/science/chemistry/octopus { openblas=openblasCompat; };
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