diff options
Diffstat (limited to 'science/ghemical')
-rw-r--r-- | science/ghemical/Makefile | 37 | ||||
-rw-r--r-- | science/ghemical/distinfo | 6 | ||||
-rw-r--r-- | science/ghemical/files/ghemical-f2c.sh | 16 | ||||
-rw-r--r-- | science/ghemical/files/patch-configure.in | 15 | ||||
-rw-r--r-- | science/ghemical/files/patch-src+graphics+objects.h | 11 | ||||
-rw-r--r-- | science/ghemical/files/patch-src:common:Makefile.in | 15 | ||||
-rw-r--r-- | science/ghemical/pkg-descr | 2 | ||||
-rw-r--r-- | science/ghemical/pkg-plist | 277 |
8 files changed, 151 insertions, 228 deletions
diff --git a/science/ghemical/Makefile b/science/ghemical/Makefile index b87a6cb88100..c1bbf15f95b2 100644 --- a/science/ghemical/Makefile +++ b/science/ghemical/Makefile @@ -5,43 +5,28 @@ # $FreeBSD$ PORTNAME= ghemical -PORTVERSION= 1.01 -PORTREVISION= 2 +PORTVERSION= 2.01 CATEGORIES= science -MASTER_SITES= http://bioinformatics.org/ghemical/download/archive/ \ - http://www.uku.fi/~thassine/projects/download/ +MASTER_SITES= http://www.uku.fi/~thassine/projects/download/ \ + http://bioinformatics.org/ghemical/download/ DISTNAME= ${PORTNAME}-${PORTVERSION} -EXTRACT_SUFX= .tgz MAINTAINER= maho@FreeBSD.org COMMENT= Ghemical is a computational chemistry software package BUILD_DEPENDS= ${LOCALBASE}/lib/libmpqc.a:${PORTSDIR}/science/mpqc \ - f2c:${PORTSDIR}/lang/f2c + f2c:${PORTSDIR}/lang/f2c \ + openbabel:${PORTSDIR}/science/openbabel LIB_DEPENDS= glut:${PORTSDIR}/graphics/libglut \ gtkgl:${PORTSDIR}/x11-toolkits/gtkglarea \ - glade-gnome:${PORTSDIR}/devel/libglade + gtkglext-x11-1.0:${PORTSDIR}/x11-toolkits/gtkglext USE_GMAKE= yes -USE_GNOME= gtk12 +USE_GNOME= glib20 gtk20 libglade2 pkgconfig GNU_CONFIGURE= yes -CONFIGURE_ARGS= --enable-mpqc +CONFIGURE_ARGS= --enable-mopac7 --enable-mpqc --enable-openbabel +PLIST_SUB= GHEMICAL_VERSION="${PORTVERSION}" -USE_AUTOTOOLS= autoconf:253 +MAKE_ENV= PKG_CONFIG=${LOCALBASE}/pkg-config -.include <bsd.port.pre.mk> - -pre-configure: - @cd ${WRKDIR}/${DISTNAME} ; ${AUTOCONF} - -pre-patch: - @${REINPLACE_CMD} -e 's|gtk-config|${GTK_CONFIG}|g;' ${WRKSRC}/configure - @${REINPLACE_CMD} -e 's|gtk-config|${GTK_CONFIG}|g; s|-lgtk|-lgtk-12|g;' \ - ${WRKSRC}/Makefile.in -pre-build: - @${REINPLACE_CMD} -e 's|MAXHEV=60, MAXLIT=60|MAXHEV=90, MAXLIT=90|g;' \ - ${WRKSRC}/miniMOPAC/fortran/SIZES - (cd ${WRKSRC}/miniMOPAC ; ${SH} ${FILESDIR}/ghemical-f2c.sh) - @${REINPLACE_CMD} -e 's|f2c.h|g2c.h|g;' ${WRKSRC}/miniMOPAC/*.c - @${REINPLACE_CMD} -e 's|f2c.h|g2c.h|g;' ${WRKSRC}/src/common/qm1e_mopac.cpp -.include <bsd.port.post.mk> +.include <bsd.port.mk> diff --git a/science/ghemical/distinfo b/science/ghemical/distinfo index 9315f3f304b1..067a465749d7 100644 --- a/science/ghemical/distinfo +++ b/science/ghemical/distinfo @@ -1,3 +1,3 @@ -MD5 (ghemical-1.01.tgz) = 41f7b6ce38b4a1be9a9cf00d7d068b4a -SHA256 (ghemical-1.01.tgz) = b7ae4ce398fd25af6b3d58c3a0e4408fc52e03b3965a0fc3137a767c51b19379 -SIZE (ghemical-1.01.tgz) = 2790798 +MD5 (ghemical-2.01.tar.gz) = 7a160160c80f213b43485613a5ca2d75 +SHA256 (ghemical-2.01.tar.gz) = a0d5cc14b53cf132634f053f8779d0e720eb3d92e90ae154d4f41133beb8c4ae +SIZE (ghemical-2.01.tar.gz) = 2060867 diff --git a/science/ghemical/files/ghemical-f2c.sh b/science/ghemical/files/ghemical-f2c.sh deleted file mode 100644 index 9a1a37200c41..000000000000 --- a/science/ghemical/files/ghemical-f2c.sh +++ /dev/null @@ -1,16 +0,0 @@ -# -# Make new c sources from fortran sources, restore changes, -# made by Tommi Hassinen (3 comments are corrected additionally). -# Should be started in miniMOPAC directory. - -f2c fortran/*.f -cp fortran/*.c ./ -sed -e 's,/\* fortran/\(.*\)\.f -- translated by f2c (version 20000817),/\* \1.f -- translated by f2c (version 19991025),' \ --e 's,dscal_,mMdscal_,g' \ --e 's,dswap_,mMdswap_,g' \ --e 's,daxpy_,mMdaxpy_,g' \ --i '' *.c -mv etime.c etime.c.orig -head -18 etime.c.orig > etime.c -echo '#include <time.h>' >> etime.c -tail +19 etime.c.orig >> etime.c diff --git a/science/ghemical/files/patch-configure.in b/science/ghemical/files/patch-configure.in deleted file mode 100644 index dc814b37e4e7..000000000000 --- a/science/ghemical/files/patch-configure.in +++ /dev/null @@ -1,15 +0,0 @@ ---- configure.in.orig Wed Jun 5 21:10:50 2002 -+++ configure.in Wed Jul 17 21:08:10 2002 -@@ -104,7 +104,12 @@ - #AC_CHECK_LIB([ibs], [main]) - - # Checks for header files. -+saved_CFLAGS="$CFLAGS" -+LIBS="$LIBS $GTKGL_LIBS $GTK_LIBS" -+CFLAGS="$CFLAGS $GTKGL_CFLAGS $GTK_CFLAGS" - AC_CHECK_HEADERS(GL/glut.h) -+LIBS="$LIBS $saved_LIBS" -+CFLAGS="$saved_CFLAGS" - - # Checks for typedefs, structures, and compiler characteristics. - AC_PROG_CC_STDC diff --git a/science/ghemical/files/patch-src+graphics+objects.h b/science/ghemical/files/patch-src+graphics+objects.h deleted file mode 100644 index 494ed341489d..000000000000 --- a/science/ghemical/files/patch-src+graphics+objects.h +++ /dev/null @@ -1,11 +0,0 @@ ---- src/graphics/objects.h~ Sat Dec 29 23:56:49 2001 -+++ src/graphics/objects.h Sun Jan 30 16:05:29 2005 -@@ -88,8 +88,6 @@ - void SetModelView(void) const; - const obj_loc_data * GetLocData(void) const; - -- protected: -- - obj_loc_data * GetLocDataRW(void) const; - - public: diff --git a/science/ghemical/files/patch-src:common:Makefile.in b/science/ghemical/files/patch-src:common:Makefile.in deleted file mode 100644 index 13797eed7b72..000000000000 --- a/science/ghemical/files/patch-src:common:Makefile.in +++ /dev/null @@ -1,15 +0,0 @@ ---- src/common/Makefile.in~ Thu Jun 20 06:19:02 2002 -+++ src/common/Makefile.in Wed Jul 17 21:39:28 2002 -@@ -24,7 +24,11 @@ - -I$(top_srcdir)/src/common \ - -I$(top_srcdir)/openbabel \ - -I$(top_builddir)/src \ -- @SC_CPPFLAGS@ -+ @SC_CPPFLAGS@ \ -+ @GTK_CFLAGS@ \ -+ @GNOME_INCLUDEDIR@ \ -+ @GTKGL_CFLAGS@ \ -+ @LIBGLADE_INCLUDES@ - LIBS= @LIBS@ - - CFLAGS= @CFLAGS@ diff --git a/science/ghemical/pkg-descr b/science/ghemical/pkg-descr index d53e701f4e61..e8e74c24cef7 100644 --- a/science/ghemical/pkg-descr +++ b/science/ghemical/pkg-descr @@ -5,4 +5,4 @@ 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. -WWW: http://www.uku.fi/~thassine/ghemical/ +WWW: http://www.uku.fi/~thassine/projects/ghemical/ diff --git a/science/ghemical/pkg-plist b/science/ghemical/pkg-plist index 707c340eeb90..373625995293 100644 --- a/science/ghemical/pkg-plist +++ b/science/ghemical/pkg-plist @@ -1,143 +1,138 @@ bin/ghemical -share/ghemical/1.01/aromatic.txt -share/ghemical/1.01/atomtyp.txt -share/ghemical/1.01/element.txt -share/ghemical/1.01/extable.txt -share/ghemical/1.01/glade/file_export_dialog.glade -share/ghemical/1.01/glade/file_import_dialog.glade -share/ghemical/1.01/glade/geomopt_dialog.glade -share/ghemical/1.01/glade/moldyn_dialog.glade -share/ghemical/1.01/glade/setup_mm1_dialog.glade -share/ghemical/1.01/glade/setup_qm1_dialog.glade -share/ghemical/1.01/glade/trajview_dialog.glade -share/ghemical/1.01/parameters/builder/amino.txt -share/ghemical/1.01/parameters/builder/nucleic.txt -share/ghemical/1.01/parameters/mm1param/stable/atomtypes.txt -share/ghemical/1.01/parameters/mm1param/stable/parameters1.txt -share/ghemical/1.01/parameters/mm1param/stable/parameters2.txt -share/ghemical/1.01/parameters/mm1param/stable/parameters3.txt -share/ghemical/1.01/parameters/mm1param/stable/parameters4.txt -share/ghemical/1.01/parameters/mm1param/stable/parameters5.txt -share/ghemical/1.01/parameters/mm1param/unstable/atomtypes.txt -share/ghemical/1.01/parameters/mm1param/unstable/parameters1.txt -share/ghemical/1.01/parameters/mm1param/unstable/parameters2.txt -share/ghemical/1.01/parameters/mm1param/unstable/parameters3.txt -share/ghemical/1.01/parameters/mm1param/unstable/parameters4.txt -share/ghemical/1.01/parameters/mm1param/unstable/parameters5.txt -share/ghemical/1.01/parameters/mm2param/loopdip.txt -share/ghemical/1.01/parameters/mm2param/looptor.txt -share/ghemical/1.01/parameters/mm2param/nonbonded.txt -share/ghemical/1.01/phmodel.txt -share/ghemical/1.01/resdata.txt -share/ghemical/1.01/types.txt -share/ghemical/examples/1gar.mm2gp -share/ghemical/examples/1hcl.mm2gp -share/ghemical/examples/2-chlorobutane.gpr -share/ghemical/examples/2-chlorobutane.mm1gp -share/ghemical/examples/3-phenylpropanal.gpr -share/ghemical/examples/3-phenylpropanal.mm1gp -share/ghemical/examples/4rhn.mm2gp -share/ghemical/examples/PeriodicTable.gpr -share/ghemical/examples/PeriodicTable.mm1gp -share/ghemical/examples/acetylsalicylic_acid.gpr -share/ghemical/examples/acetylsalicylic_acid.mm1gp -share/ghemical/examples/alpha-pinene.gpr -share/ghemical/examples/alpha-pinene.mm1gp -share/ghemical/examples/bromobenzene.gpr -share/ghemical/examples/bromobenzene.mm1gp -share/ghemical/examples/camphor.gpr -share/ghemical/examples/camphor.mm1gp -share/ghemical/examples/cinnamaldehyde.gpr -share/ghemical/examples/cinnamaldehyde.mm1gp -share/ghemical/examples/cis-2-pentene.gpr -share/ghemical/examples/cis-2-pentene.mm1gp -share/ghemical/examples/cyclohexane.gpr -share/ghemical/examples/cyclohexane.mm1gp -share/ghemical/examples/naphtalene.gpr -share/ghemical/examples/naphtalene.mm1gp -share/gnome/help/ghemical/C/MD.html -share/gnome/help/ghemical/C/MD_viewer.html -share/gnome/help/ghemical/C/aa_table.html -share/gnome/help/ghemical/C/add_hydrogens.html -share/gnome/help/ghemical/C/conf_search_tools.html -share/gnome/help/ghemical/C/energy_vs_torsion.html -share/gnome/help/ghemical/C/filetypes.html -share/gnome/help/ghemical/C/formula.html -share/gnome/help/ghemical/C/geometry_optimization.html -share/gnome/help/ghemical/C/images/2atoms_bond.png -share/gnome/help/ghemical/C/images/2atoms_unbonded.png -share/gnome/help/ghemical/C/images/aa_builder_ci.png -share/gnome/help/ghemical/C/images/aa_builder_menu.png -share/gnome/help/ghemical/C/images/aa_builder_note.png -share/gnome/help/ghemical/C/images/aa_builder_w_h.png -share/gnome/help/ghemical/C/images/aa_builder_wo_h.png -share/gnome/help/ghemical/C/images/add_hydrogens.png -share/gnome/help/ghemical/C/images/add_hydrogens_select.png -share/gnome/help/ghemical/C/images/change_bond_dialog.png -share/gnome/help/ghemical/C/images/change_bond_select.png -share/gnome/help/ghemical/C/images/ci_plane.png -share/gnome/help/ghemical/C/images/cyclohexane1.png -share/gnome/help/ghemical/C/images/cyclohexane2.png -share/gnome/help/ghemical/C/images/cyclohexane_optimized.png -share/gnome/help/ghemical/C/images/cyclohexane_unoptimized.png -share/gnome/help/ghemical/C/images/draw_button.png -share/gnome/help/ghemical/C/images/draw_hydrogens.png -share/gnome/help/ghemical/C/images/energy_vs_torsion1.png -share/gnome/help/ghemical/C/images/energy_vs_torsion2.png -share/gnome/help/ghemical/C/images/energy_vs_torsion3.png -share/gnome/help/ghemical/C/images/energy_vs_torsion4.png -share/gnome/help/ghemical/C/images/enlevdiag.png -share/gnome/help/ghemical/C/images/esp-plane_mm.png -share/gnome/help/ghemical/C/images/esp-plane_qm.png -share/gnome/help/ghemical/C/images/esp-plane_select.png -share/gnome/help/ghemical/C/images/esp-plane_select_obj.png -share/gnome/help/ghemical/C/images/first_atom.png -share/gnome/help/ghemical/C/images/formula.png -share/gnome/help/ghemical/C/images/formula_select.png -share/gnome/help/ghemical/C/images/geometry_op_dialog.png -share/gnome/help/ghemical/C/images/geometry_optimization_select.png -share/gnome/help/ghemical/C/images/labels_menu.png -share/gnome/help/ghemical/C/images/mainmenu.png -share/gnome/help/ghemical/C/images/maintools.png -share/gnome/help/ghemical/C/images/md_dialog.png -share/gnome/help/ghemical/C/images/modal.png -share/gnome/help/ghemical/C/images/new_mm.png -share/gnome/help/ghemical/C/images/notebook.png -share/gnome/help/ghemical/C/images/optimized_ethane.png -share/gnome/help/ghemical/C/images/periodic_button.png -share/gnome/help/ghemical/C/images/periodic_table.png -share/gnome/help/ghemical/C/images/remove_hydrogens.png -share/gnome/help/ghemical/C/images/ribbon.png -share/gnome/help/ghemical/C/images/sequence_builder.png -share/gnome/help/ghemical/C/images/toplevel.png -share/gnome/help/ghemical/C/images/traj_dialog.png -share/gnome/help/ghemical/C/images/window.png -share/gnome/help/ghemical/C/import_types.html -share/gnome/help/ghemical/C/index.html -share/gnome/help/ghemical/C/introduction.html -share/gnome/help/ghemical/C/labels.html -share/gnome/help/ghemical/C/mdi_mode.html -share/gnome/help/ghemical/C/measure.html -share/gnome/help/ghemical/C/perspective.html -share/gnome/help/ghemical/C/references.html -share/gnome/help/ghemical/C/ribbon.html -share/gnome/help/ghemical/C/sequence_builder.html -share/gnome/help/ghemical/C/using_mm.html -share/gnome/help/ghemical/C/using_qm.html -share/gnome/help/ghemical/C/using_sf.html -share/gnome/help/ghemical/C/visualization.html -@dirrm share/gnome/help/ghemical/C/images -@dirrm share/gnome/help/ghemical/C -@dirrm share/gnome/help/ghemical -@dirrm share/gnome/help -@dirrm share/gnome -@dirrm share/ghemical/examples -@dirrm share/ghemical/1.01/parameters/mm2param -@dirrm share/ghemical/1.01/parameters/mm1param/unstable -@dirrm share/ghemical/1.01/parameters/mm1param/stable -@dirrm share/ghemical/1.01/parameters/mm1param -@dirrm share/ghemical/1.01/parameters/builder -@dirrm share/ghemical/1.01/parameters -@dirrm share/ghemical/1.01/glade -@dirrm share/ghemical/1.01 +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/enlevdiag.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion1.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion2.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion3.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/energy_vs_torsion4.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_mm.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_qm.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_select.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/esp-plane_select_obj.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/formula.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/formula_select.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/geometry_op_dialog.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/geometry_optimization_select.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/labels_menu.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/mainmenu.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/maintools.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/md_dialog.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/modal.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/ribbon.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/notebook.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/optimized_ethane.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/remove_hydrogens.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/sequence_builder.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup1.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup2.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/setup_select.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/toplevel.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/traj_dialog.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_01.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_02.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_03.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_04.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_05.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_06.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_07.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_08.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_09.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_10.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/using_mm_11.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/images/window.png +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/documentation.css +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/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/import_types.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/index.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/introduction.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/labels.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/measure.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/perspective.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/references.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/ribbon.html +share/ghemical/%%GHEMICAL_VERSION%%/user-docs/sequence_builder.html 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