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Port details
ghemical 2.98 science on this many watch lists=0 search for ports that depend on this port
Ghemical is a computational chemistry software package
Maintained by: maho@FreeBSD.org search for ports maintained by this maintainer
Port Added: 04 May 2003 03:34:18


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.

WWW: http://www.uku.fi/~thassine/projects/ghemical/
CVSWeb : Sources : Main Web Site : Distfiles Availability : PortsMon
Required To Build: lang/f2c, science/openbabel, devel/gmake, lang/gcc42, textproc/intltool, devel/pkg-config
Required To Run: lang/f2c, devel/pkg-config, devel/gio-fam-backend
Required Libraries: science/mpqc, x11-toolkits/gtkglarea, x11-toolkits/gtkglext, science/libghemical, science/liboglappth, biology/mopac, graphics/libglut, accessibility/atk, devel/glib20, x11-toolkits/gtk20, devel/libglade2, textproc/libxml2, x11-toolkits/pango

To install the port: cd /usr/ports/science/ghemical/ && make install clean
To add the package: pkg_add -r ghemical


Configuration Options
     No options to configure

Master Sites:
http://www.uku.fi/~thassine/projects/download/release20080731/
http://bioinformatics.org/ghemical/download/
ftp://ftp.FreeBSD.org/pub/FreeBSD/ports/distfiles/

Number of commits found: 29

Commit History - (may be incomplete: see CVSWeb link above for full details)
DateByDescription
22 Aug 2008 23:36:30
Original commit files touched by this commit  2.98
maho search for other commits by this committer
Update to 2.98.
07 Jul 2008 01:08:33
Original commit files touched by this commit  2.10_4
beech search for other commits by this committer
Bump portrevision after openbabel update.
06 Jun 2008 14:59:05
Original commit files touched by this commit  2.10_3
edwin search for other commits by this committer
Bump portrevision due to upgrade of devel/gettext.

The affected ports are the ones with gettext as a run-dependency
according to ports/INDEX-7 (5007 of them) and the ones with USE_GETTEXT
in Makefile (29 of them).

PR:             ports/124340
Submitted by:   edwin@
Approved by:    portmgr (pav)
14 Jul 2007 11:33:14
Original commit files touched by this commit  2.10_2
maho search for other commits by this committer
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
19 May 2007 21:32:57
Original commit files touched by this commit  2.10_2
flz search for other commits by this committer
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
17 Jan 2007 04:42:46
Original commit files touched by this commit  2.10_1
maho search for other commits by this committer
* Migrate to gfortran.
* Bump port revision.
* gamess output support.
12 Dec 2006 08:30:32
Original commit files touched by this commit  2.10
rafan search for other commits by this committer
- Fix build

Approved by:    maho (maintainer, implicit)
30 Nov 2006 04:39:30
Original commit files touched by this commit  2.10
maho search for other commits by this committer
Update to 2.10.
13 Jul 2006 12:43:45
Original commit files touched by this commit  2.01
maho search for other commits by this committer
Fix build dependency

Submitted by:   Vladimir Chukharev <Vladimir.Chukharev@tut.fi>
03 Jul 2006 08:51:24
Original commit files touched by this commit  2.01
maho search for other commits by this committer
Update to 2.01
28 May 2006 12:20:09
Original commit files touched by this commit  1.01_2
maho search for other commits by this committer
fix pkg-plist

Submitted by:   boris
28 May 2006 10:02:47
Original commit files touched by this commit  1.01_2
maho search for other commits by this committer
- change mirror
- fix http://people.freebsd.org/~fenner/portsurvey/science.html#ghemical

PR:             97833
Submitted by:   Martin Wilke <freebsd@unixfreunde.de>
13 May 2006 05:15:53
Original commit files touched by this commit  1.01_2
edwin search for other commits by this committer
Remove USE_REINPLACE from all categories starting with S
07 Mar 2006 08:28:06
Original commit files touched by this commit  1.01_2
ade search for other commits by this committer
Bump PORTREVISION on glib12/gtk12 consumer ports to ease the upgrade path.

Discussed with: kris
Approved by:    portmgr (implicit)
23 Feb 2006 10:40:45
Original commit files touched by this commit  1.01_1
ade search for other commits by this committer
Conversion to a single libtool environment.

Approved by:    portmgr (kris)
24 Jan 2006 01:01:36
Original commit files touched by this commit  1.01_1
edwin search for other commits by this committer
SHA256ify

Approved by: krion@
12 Jan 2006 12:54:32
Original commit files touched by this commit  1.01_1
sem search for other commits by this committer
- Update graphics/libglut to 6.4.1.
- Shared lib version and PORTREVISION bumb for all affected ports.

While I'm here:
- Remove USE_MESA knob where it was (35 ports).
  It marked as depricated for 2 years.

PR:             ports/90247
Submitted by:   Ermal Lu?i <eri--@albabsd.org>
15 Nov 2005 06:52:12
Original commit files touched by this commit  1.01
ade search for other commits by this committer
Mass-conversion to the USE_AUTOTOOLS New World Order.  The code present
in bsd.autotools.mk essentially makes this a no-op given that all the
old variables set a USE_AUTOTOOLS_COMPAT variable, which is parsed in
exactly the same way as USE_AUTOTOOLS itself.

Moreover, USE_AUTOTOOLS has already been extensively tested by the GNOME
team -- all GNOME 2.12.x ports use it.

Preliminary documentation can be found at:
        http://people.FreeBSD.org/~ade/autotools.txt

which is in the process of being SGMLized before introduction into the
Porters Handbook.

Light blue touch-paper.  Run.
31 May 2005 08:26:50
Original commit files touched by this commit  1.01
pav search for other commits by this committer
- Change last few occurences of USE_GTK=yes to USE_GNOME=gtk12

Approved by:    portmgr (marcus)
30 Jan 2005 07:54:08
Original commit files touched by this commit  1.01
maho search for other commits by this committer
Unbreak for FreeBSD >=5.x

Submitted by:   linimon
18 Sep 2004 18:23:32
Original commit files touched by this commit  1.01
kris search for other commits by this committer
BROKEN on 5.x: Does not compile

Approved by:    portmgr (self)
19 Mar 2004 04:09:18
Original commit files touched by this commit  1.01
maho search for other commits by this committer
SIZEify

Submitted by:   trevor
14 Mar 2004 06:17:56
Original commit files touched by this commit  1.01
ade search for other commits by this committer
Whoa there, boy, that's a mighty big commit y'all have there...

Begin autotools sanitization sequence by requiring ports to explicitly
specify which version of {libtool,autoconf,automake} they need, erasing
the concept of a "system default".

For ports-in-waiting:

        USE_LIBTOOL=YES         ->      USE_LIBTOOL_VER=13
        USE_AUTOCONF=YES        ->      USE_AUTOCONF_VER=213
        USE_AUTOMAKE=YES        ->      USE_AUTOMAKE_VER=14

Ports attempting to use the old style system after June 1st 2004 will be
sorely disappointed.
06 Mar 2004 21:50:13
Original commit files touched by this commit  1.01
maho search for other commits by this committer
1) some cleanups and enhancements
2) sorry I didn't mention your PR

PR:             63366
Submitted by:   Vladimir I. Chukharev <chu@gpi.ru>
27 Feb 2004 23:00:52
Original commit files touched by this commit  1.01
maho search for other commits by this committer
update to 1.01 and unbreak

Submitted by:   kris via bento
23 Feb 2004 00:35:23
Original commit files touched by this commit  1.00_1
kris search for other commits by this committer
This is broken on 4.x as well.
17 Feb 2004 22:32:01
Original commit files touched by this commit  1.00_1
kris search for other commits by this committer
BROKEN on 5.x: does not compile
04 Feb 2004 05:10:27
Original commit files touched by this commit  1.00_1
marcus search for other commits by this committer
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.

(Part 1)
04 May 2003 03:33:52
Original commit files touched by this commit  1.00
maho search for other commits by this committer
Add new port science/ghemical
a computational chemistry software package

Number of commits found: 29

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