{"name":"ghemical","portdir":"science/ghemical","version":"3.0.0","license":"GPL-2+","platforms":"darwin","epoch":0,"replaced_by":null,"homepage":"http://www.bioinformatics.org/ghemical/ghemical/","description":"Ghemical is computational chemistry package","long_description":"Ghemical is a computational chemistry software package written in C++ and released under the GNU GPL. The program has GUI based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations - MOPAC provides the semi-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree-Fock calculations.","active":true,"categories":["science"],"maintainers":[],"variants":["universal"],"dependencies":[{"type":"build","ports":["clang-15","autoconf","automake","libtool","pkgconfig","intltool"]},{"type":"lib","ports":["gtkglext","gtk2","libglade2","libghemical","liboglappth","openbabel2"]}],"depends_on":[]}