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Port details on branch 2022Q3
ghemical Computational chemistry software package
3.0.0_27 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 3.0.0_26Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2003-05-04 02:34:18
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
License: GPLv2+
WWW:
https://www.bioinformatics.org/ghemical/ghemical/index.html
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.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (159 items)
Collapse this list.
  1. /usr/local/share/licenses/ghemical-3.0.0_27/catalog.mk
  2. /usr/local/share/licenses/ghemical-3.0.0_27/LICENSE
  3. /usr/local/share/licenses/ghemical-3.0.0_27/GPLv2+
  4. bin/ghemical
  5. lib/locale/de/LC_MESSAGES/ghemical.mo
  6. lib/locale/fi/LC_MESSAGES/ghemical.mo
  7. lib/locale/mk/LC_MESSAGES/ghemical.mo
  8. lib/locale/pt_BR/LC_MESSAGES/ghemical.mo
  9. lib/locale/ru/LC_MESSAGES/ghemical.mo
  10. lib/locale/sq/LC_MESSAGES/ghemical.mo
  11. share/ghemical/3.0.0/examples/2-chlorobutane.gpr
  12. share/ghemical/3.0.0/examples/3-phenylpropanal.gpr
  13. share/ghemical/3.0.0/examples/PeriodicTable.gpr
  14. share/ghemical/3.0.0/examples/acetylsalicylic_acid.gpr
  15. share/ghemical/3.0.0/examples/alpha-pinene.gpr
  16. share/ghemical/3.0.0/examples/bromobenzene.gpr
  17. share/ghemical/3.0.0/examples/camphor.gpr
  18. share/ghemical/3.0.0/examples/cinnamaldehyde.gpr
  19. share/ghemical/3.0.0/examples/cis-2-pentene.gpr
  20. share/ghemical/3.0.0/examples/cyclohexane.gpr
  21. share/ghemical/3.0.0/examples/dna_AGTC.gpr
  22. share/ghemical/3.0.0/examples/naphtalene.gpr
  23. share/ghemical/3.0.0/examples/rna_aguc.gpr
  24. share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/products.gpr
  25. share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/reactants.gpr
  26. share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/ts.gpr
  27. share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/products.gpr
  28. share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/reactants.gpr
  29. share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/ts.gpr
  30. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr
  31. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr
  32. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr
  33. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr
  34. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr
  35. share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr
  36. share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr
  37. share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr
  38. share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr
  39. share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr
  40. share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr
  41. share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr
  42. share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr
  43. share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr
  44. share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr
  45. share/ghemical/3.0.0/glade/gtk_file_export_dialog.glade
  46. share/ghemical/3.0.0/glade/gtk_file_import_dialog.glade
  47. share/ghemical/3.0.0/glade/gtk_geomopt_dialog.glade
  48. share/ghemical/3.0.0/glade/gtk_moldyn_dialog.glade
  49. share/ghemical/3.0.0/glade/gtk_progress_dialog.glade
  50. share/ghemical/3.0.0/glade/gtk_setup_dialog.glade
  51. share/ghemical/3.0.0/glade/gtk_stereo_dialog.glade
  52. share/ghemical/3.0.0/glade/gtk_trajview_dialog.glade
  53. share/ghemical/3.0.0/pixmaps/angle.xpm
  54. share/ghemical/3.0.0/pixmaps/bond.xpm
  55. share/ghemical/3.0.0/pixmaps/bondtype.xpm
  56. share/ghemical/3.0.0/pixmaps/chain.xpm
  57. share/ghemical/3.0.0/pixmaps/clipping.xpm
  58. share/ghemical/3.0.0/pixmaps/dihedral.xpm
  59. share/ghemical/3.0.0/pixmaps/distance.xpm
  60. share/ghemical/3.0.0/pixmaps/draw.xpm
  61. share/ghemical/3.0.0/pixmaps/element.xpm
  62. share/ghemical/3.0.0/pixmaps/erase.xpm
  63. share/ghemical/3.0.0/pixmaps/ghemical.png
  64. share/ghemical/3.0.0/pixmaps/invert.xpm
  65. share/ghemical/3.0.0/pixmaps/measure.xpm
  66. share/ghemical/3.0.0/pixmaps/molecule.xpm
  67. share/ghemical/3.0.0/pixmaps/orbit_xy.xpm
  68. share/ghemical/3.0.0/pixmaps/orbit_z.xpm
  69. share/ghemical/3.0.0/pixmaps/residue.xpm
  70. share/ghemical/3.0.0/pixmaps/rotate_xy.xpm
  71. share/ghemical/3.0.0/pixmaps/rotate_z.xpm
  72. share/ghemical/3.0.0/pixmaps/select.xpm
  73. share/ghemical/3.0.0/pixmaps/setup.xpm
  74. share/ghemical/3.0.0/pixmaps/transl_xy.xpm
  75. share/ghemical/3.0.0/pixmaps/transl_z.xpm
  76. share/ghemical/3.0.0/pixmaps/zoom.xpm
  77. share/ghemical/3.0.0/user-docs/MD.html
  78. share/ghemical/3.0.0/user-docs/MD_viewer.html
  79. share/ghemical/3.0.0/user-docs/aa_table.html
  80. share/ghemical/3.0.0/user-docs/add_hydrogens.html
  81. share/ghemical/3.0.0/user-docs/conf_search_tools.html
  82. share/ghemical/3.0.0/user-docs/documentation.css
  83. share/ghemical/3.0.0/user-docs/energy_vs_torsion.html
  84. share/ghemical/3.0.0/user-docs/filetypes.html
  85. share/ghemical/3.0.0/user-docs/formula.html
  86. share/ghemical/3.0.0/user-docs/geometry_optimization.html
  87. share/ghemical/3.0.0/user-docs/images/2atoms_unbonded.png
  88. share/ghemical/3.0.0/user-docs/images/aa_builder_ci.png
  89. share/ghemical/3.0.0/user-docs/images/aa_builder_menu.png
  90. share/ghemical/3.0.0/user-docs/images/aa_builder_note.png
  91. share/ghemical/3.0.0/user-docs/images/aa_builder_w_h.png
  92. share/ghemical/3.0.0/user-docs/images/aa_builder_wo_h.png
  93. share/ghemical/3.0.0/user-docs/images/add_hydrogens.png
  94. share/ghemical/3.0.0/user-docs/images/add_hydrogens_select.png
  95. share/ghemical/3.0.0/user-docs/images/change_bond_dialog.png
  96. share/ghemical/3.0.0/user-docs/images/ci_plane.png
  97. share/ghemical/3.0.0/user-docs/images/clipping1.png
  98. share/ghemical/3.0.0/user-docs/images/clipping2.png
  99. share/ghemical/3.0.0/user-docs/images/cyclohexane1.png
  100. share/ghemical/3.0.0/user-docs/images/cyclohexane2.png
  101. share/ghemical/3.0.0/user-docs/images/cyclohexane_optimized.png
  102. share/ghemical/3.0.0/user-docs/images/cyclohexane_unoptimized.png
  103. share/ghemical/3.0.0/user-docs/images/energy_vs_torsion1.png
  104. share/ghemical/3.0.0/user-docs/images/energy_vs_torsion2.png
  105. share/ghemical/3.0.0/user-docs/images/energy_vs_torsion3.png
  106. share/ghemical/3.0.0/user-docs/images/energy_vs_torsion4.png
  107. share/ghemical/3.0.0/user-docs/images/enlevdiag.png
  108. share/ghemical/3.0.0/user-docs/images/esp-plane_mm.png
  109. share/ghemical/3.0.0/user-docs/images/esp-plane_qm.png
  110. share/ghemical/3.0.0/user-docs/images/esp-plane_select.png
  111. share/ghemical/3.0.0/user-docs/images/esp-plane_select_obj.png
  112. share/ghemical/3.0.0/user-docs/images/formula.png
  113. share/ghemical/3.0.0/user-docs/images/formula_select.png
  114. share/ghemical/3.0.0/user-docs/images/geometry_op_dialog.png
  115. share/ghemical/3.0.0/user-docs/images/geometry_optimization_select.png
  116. share/ghemical/3.0.0/user-docs/images/labels_menu.png
  117. share/ghemical/3.0.0/user-docs/images/mainmenu.png
  118. share/ghemical/3.0.0/user-docs/images/maintools.png
  119. share/ghemical/3.0.0/user-docs/images/md_dialog.png
  120. share/ghemical/3.0.0/user-docs/images/modal.png
  121. share/ghemical/3.0.0/user-docs/images/notebook.png
  122. share/ghemical/3.0.0/user-docs/images/optimized_ethane.png
  123. share/ghemical/3.0.0/user-docs/images/remove_hydrogens.png
  124. share/ghemical/3.0.0/user-docs/images/ribbon.png
  125. share/ghemical/3.0.0/user-docs/images/sequence_builder.png
  126. share/ghemical/3.0.0/user-docs/images/setup1.png
  127. share/ghemical/3.0.0/user-docs/images/setup2.png
  128. share/ghemical/3.0.0/user-docs/images/setup_select.png
  129. share/ghemical/3.0.0/user-docs/images/toplevel.png
  130. share/ghemical/3.0.0/user-docs/images/traj_dialog.png
  131. share/ghemical/3.0.0/user-docs/images/using_mm_01.png
  132. share/ghemical/3.0.0/user-docs/images/using_mm_02.png
  133. share/ghemical/3.0.0/user-docs/images/using_mm_03.png
  134. share/ghemical/3.0.0/user-docs/images/using_mm_04.png
  135. share/ghemical/3.0.0/user-docs/images/using_mm_05.png
  136. share/ghemical/3.0.0/user-docs/images/using_mm_06.png
  137. share/ghemical/3.0.0/user-docs/images/using_mm_07.png
  138. share/ghemical/3.0.0/user-docs/images/using_mm_08.png
  139. share/ghemical/3.0.0/user-docs/images/using_mm_09.png
  140. share/ghemical/3.0.0/user-docs/images/using_mm_10.png
  141. share/ghemical/3.0.0/user-docs/images/using_mm_11.png
  142. share/ghemical/3.0.0/user-docs/images/window.png
  143. share/ghemical/3.0.0/user-docs/import_types.html
  144. share/ghemical/3.0.0/user-docs/index.html
  145. share/ghemical/3.0.0/user-docs/introduction.html
  146. share/ghemical/3.0.0/user-docs/labels.html
  147. share/ghemical/3.0.0/user-docs/measure.html
  148. share/ghemical/3.0.0/user-docs/perspective.html
  149. share/ghemical/3.0.0/user-docs/references.html
  150. share/ghemical/3.0.0/user-docs/ribbon.html
  151. share/ghemical/3.0.0/user-docs/sequence_builder.html
  152. share/ghemical/3.0.0/user-docs/setup_dialog.html
  153. share/ghemical/3.0.0/user-docs/using_mm.html
  154. share/ghemical/3.0.0/user-docs/using_qm.html
  155. share/ghemical/3.0.0/user-docs/using_sf.html
  156. share/ghemical/3.0.0/user-docs/visualization.html
  157. @owner
  158. @group
  159. @mode
Collapse this list.
Dependency lines:
  • ghemical>0:science/ghemical
To install the port:
cd /usr/ports/science/ghemical/ && make install clean
To add the package, run one of these commands:
  • pkg install science/ghemical
  • pkg install ghemical
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: ghemical
Flavors: there is no flavor information for this port.
distinfo:
SHA256 (ghemical-3.0.0.tar.gz) = babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2 SIZE (ghemical-3.0.0.tar.gz) = 2196716

Packages (timestamps in pop-ups are UTC):
ghemical
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-3.0.0_27------
FreeBSD:13:quarterly-3.0.0_27------
FreeBSD:14:latest-3.0.0_27------
FreeBSD:14:quarterly-3.0.0_27------
FreeBSD:15:latest-3.0.0_27n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran12 : lang/gcc12
  2. gettext-runtime>=0.22_1 : devel/gettext-runtime
  3. msgfmt : devel/gettext-tools
  4. gmake>=4.3 : devel/gmake
  5. intltool-extract : textproc/intltool
  6. pkgconf>=1.3.0_1 : devel/pkgconf
  7. as : devel/binutils
  8. xorgproto>=0 : x11/xorgproto
  9. xorgproto>=0 : x11/xorgproto
  10. x11.pc : x11/libX11
Runtime dependencies:
  1. xdg-open : devel/xdg-utils
  2. gfortran12 : lang/gcc12
  3. x11.pc : x11/libX11
Library dependencies:
  1. libblas.so : math/blas
  2. libfontconfig.so : x11-fonts/fontconfig
  3. libfreetype.so : print/freetype2
  4. libghemical.so : science/libghemical
  5. libgtkglext-x11-1.0.so : x11-toolkits/gtkglext
  6. libharfbuzz.so : print/harfbuzz
  7. libint.so : science/libint
  8. liblapack.so : math/lapack
  9. liboglappth.so : science/liboglappth
  10. libmpqc.so : science/mpqc
  11. libintl.so : devel/gettext-runtime
  12. libGL.so : graphics/libglvnd
  13. libGLU.so : graphics/libGLU
  14. libatk-1.0.so : accessibility/at-spi2-core
  15. libcairo.so : graphics/cairo
  16. libgdk_pixbuf-2.0.so : graphics/gdk-pixbuf2
  17. libglib-2.0.so : devel/glib20
  18. libintl.so : devel/gettext-runtime
  19. libgtk-x11-2.0.so : x11-toolkits/gtk20
  20. libglade-2.0.so : devel/libglade2
  21. libxml2.so : textproc/libxml2
  22. libpango-1.0.so : x11-toolkits/pango
  23. libpangox-1.0.so : x11-toolkits/pangox-compat
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_ghemical
USES:
compiler:c++11-lang fortran gettext gl gmake gnome pathfix pkgconfig xorg
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (3 items)
Collapse this list.
  1. http://bioinformatics.org/ghemical/download/current/
  2. http://bioinformatics.org/ghemical/download/release20111012/
Collapse this list.

There are no commits on branch 2022Q3 for this port