diff --git a/maintainers/maintainer-list.nix b/maintainers/maintainer-list.nix index c1b2345b1d7..243da34600d 100644 --- a/maintainers/maintainer-list.nix +++ b/maintainers/maintainer-list.nix @@ -1586,6 +1586,11 @@ email = "eocallaghan@alterapraxis.com"; name = "Edward O'Callaghan"; }; + fusion809 = { + email = "brentonhorne77@gmail.com"; + github = "fusion809"; + name = "Brenton Horne"; + }; fuuzetsu = { email = "fuuzetsu@fuuzetsu.co.uk"; github = "fuuzetsu"; diff --git a/pkgs/applications/science/chemistry/marvin/LicenseManager.desktop b/pkgs/applications/science/chemistry/marvin/LicenseManager.desktop new file mode 100755 index 00000000000..90b8ed7d20a --- /dev/null +++ b/pkgs/applications/science/chemistry/marvin/LicenseManager.desktop @@ -0,0 +1,9 @@ +#!/usr/bin/env xdg-open +[Desktop Entry] +Type=Application +Name=ChemAxon License Manager +Exec=@out@/bin/LicenseManager +Icon=LicenseManager +Categories=Education;Science;Chemistry; +StartupWMClass=com-install4j-runtime-launcher-UnixLauncher +Comment=License manager for ChemAxon software like MarvinSketch diff --git a/pkgs/applications/science/chemistry/marvin/MarvinSketch.desktop b/pkgs/applications/science/chemistry/marvin/MarvinSketch.desktop new file mode 100755 index 00000000000..d6e0343a78c --- /dev/null +++ b/pkgs/applications/science/chemistry/marvin/MarvinSketch.desktop @@ -0,0 +1,10 @@ +#!/usr/bin/env xdg-open +[Desktop Entry] +Type=Application +Name=MarvinSketch +Exec=@out@/bin/msketch %f +Icon=MarvinSketch +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; +Categories=Education;Science;Chemistry; +StartupWMClass=com-install4j-runtime-launcher-UnixLauncher +Comment=Molecular modelling, analysis and structure drawing program diff --git a/pkgs/applications/science/chemistry/marvin/MarvinView.desktop b/pkgs/applications/science/chemistry/marvin/MarvinView.desktop new file mode 100755 index 00000000000..07a3c3c7cf3 --- /dev/null +++ b/pkgs/applications/science/chemistry/marvin/MarvinView.desktop @@ -0,0 +1,10 @@ +#!/usr/bin/env xdg-open +[Desktop Entry] +Type=Application +Name=MarvinView +Exec=@out@/bin/mview %f +Icon=MarvinView +Comment=Molecule viewing program +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; +Categories=Education;Science;Chemistry; +StartupWMClass=com-install4j-runtime-launcher-UnixLauncher diff --git a/pkgs/applications/science/chemistry/marvin/default.nix b/pkgs/applications/science/chemistry/marvin/default.nix new file mode 100644 index 00000000000..948aed03fe5 --- /dev/null +++ b/pkgs/applications/science/chemistry/marvin/default.nix @@ -0,0 +1,49 @@ +{ stdenv, fetchurl, dpkg, makeWrapper, coreutils, gawk, gnugrep, gnused, jre }: + +with stdenv.lib; + +stdenv.mkDerivation rec { + name = "${pname}-${version}"; + pname = "marvin"; + version = "19.1.0"; + + src = fetchurl { + name = "marvin-${version}.deb"; + url = "http://dl.chemaxon.com/marvin/${version}/marvin_linux_${versions.majorMinor version}.deb"; + sha256 = "1ccsimfvms5q4prjyk6sg5hsc3hkcjjfq3gl7jjm8dgd2173zzyc"; + }; + + nativeBuildInputs = [ dpkg makeWrapper ]; + + unpackPhase = '' + dpkg-deb -x $src opt + ''; + + installPhase = '' + wrapBin() { + makeWrapper $1 $out/bin/$(basename $1) \ + --set INSTALL4J_JAVA_HOME "${jre}" \ + --prefix PATH : ${makeBinPath [ coreutils gawk gnugrep gnused ]} + } + cp -r opt $out + mkdir -p $out/bin $out/share/pixmaps $out/share/applications + for name in LicenseManager MarvinSketch MarvinView; do + wrapBin $out/opt/chemaxon/marvinsuite/$name + ln -s {$out/opt/chemaxon/marvinsuite/.install4j,$out/share/pixmaps}/$name.png + done + for name in cxcalc cxtrain evaluate molconvert mview msketch; do + wrapBin $out/opt/chemaxon/marvinsuite/bin/$name + done + ${concatStrings (map (name: '' + substitute ${./. + "/${name}.desktop"} $out/share/applications/${name}.desktop --subst-var out + '') [ "LicenseManager" "MarvinSketch" "MarvinView" ])} + ''; + + meta = { + description = "A chemical modelling, analysis and structure drawing program"; + homepage = https://chemaxon.com/products/marvin; + maintainers = with maintainers; [ fusion809 ]; + license = licenses.unfree; + platforms = platforms.linux; + }; +} \ No newline at end of file diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 260dedab4b2..7d110269edb 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -21395,6 +21395,8 @@ in jmol = callPackage ../applications/science/chemistry/jmol { }; + marvin = callPackage ../applications/science/chemistry/marvin { }; + molden = callPackage ../applications/science/chemistry/molden { }; octopus = callPackage ../applications/science/chemistry/octopus { openblas=openblasCompat; };