BSD Ports

science/ghemical 3.0.0_29 FreeBSD

Computational chemistry software package

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
License
GPLv2+
Categories
science
Package size
1725.2 KiB, 2523.5 KiB installed

Description

Ghemical is a computational chemistry software package,

Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package, and are included in the source distribution. The MPQC package (GNU GPL) is used to provide ab initio methods.

Install

Binary package:

pkg install ghemical

From the ports tree:

cd /usr/ports/science/ghemical/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	ghemical>0:science/ghemical

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest3.0.0_293.0.0_29-3.0.0_293.0.0_29
FreeBSD:14:quarterly3.0.0_293.0.0_29n/a3.0.0_293.0.0_29
FreeBSD:15:latest3.0.0_293.0.0_29n/a3.0.0_293.0.0_29
FreeBSD:15:quarterly3.0.0_293.0.0_29n/an/an/a
FreeBSD:16:latest3.0.0_293.0.0_29n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

As this port's Makefile names them.

Library 10

Runtime 1

The full lists below include those, and their dependencies in turn.

Build dependencies 167

The first 100 are listed.

Run dependencies 164

The first 100 are listed.

No port depends on this one.

Configuration

No options to configure.

USES
compiler:c++11-lang fortran gettext gl gmake gnome pathfix pkgconfig xorg
Service scripts
none

Files

pkg-plist 153
  • bin/ghemical
  • lib/locale/de/LC_MESSAGES/ghemical.mo
  • lib/locale/fi/LC_MESSAGES/ghemical.mo
  • lib/locale/mk/LC_MESSAGES/ghemical.mo
  • lib/locale/pt_BR/LC_MESSAGES/ghemical.mo
  • lib/locale/ru/LC_MESSAGES/ghemical.mo
  • lib/locale/sq/LC_MESSAGES/ghemical.mo
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/2-chlorobutane.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/3-phenylpropanal.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/PeriodicTable.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/acetylsalicylic_acid.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/alpha-pinene.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/bromobenzene.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/camphor.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/cinnamaldehyde.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/cis-2-pentene.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/cyclohexane.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/dna_AGTC.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/naphtalene.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/rna_aguc.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/E2-reaction/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/SN2-reaction/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_file_export_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_file_import_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_geomopt_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_moldyn_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_progress_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_setup_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_stereo_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/glade/gtk_trajview_dialog.glade
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/angle.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/bond.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/bondtype.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/chain.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/clipping.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/dihedral.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/distance.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/draw.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/element.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/erase.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/ghemical.png
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/invert.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/measure.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/molecule.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/orbit_xy.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/orbit_z.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/residue.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/rotate_xy.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/rotate_z.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/select.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/setup.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/transl_xy.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/transl_z.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/pixmaps/zoom.xpm
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/MD.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/MD_viewer.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/aa_table.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/add_hydrogens.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/conf_search_tools.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/documentation.css
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/energy_vs_torsion.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/filetypes.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/formula.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/geometry_optimization.html
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/2atoms_unbonded.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_ci.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_menu.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_note.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_w_h.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/aa_builder_wo_h.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/add_hydrogens.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/add_hydrogens_select.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/change_bond_dialog.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/ci_plane.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/clipping1.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/clipping2.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane1.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane2.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane_optimized.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/cyclohexane_unoptimized.png
  • share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion1.png

The first 100 are listed.

distinfo 1
FileSizeSHA256
ghemical-3.0.0.tar.gz2.196716e+06babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2
Master sites 1
  • http://bioinformatics.org/ghemical/download/%SUBDIR%/

Commit history 0

No commits in the history this site was built from.