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Port details
ghemical 3.0.0_7 science on this many watch lists=0 search for ports that depend on this port
Ghemical is a computational chemistry software package

There is no maintainer for this port.
Any concerns regarding this port should be directed to the FreeBSD Ports mailing list via ports@FreeBSD.org search for ports maintained by this maintainer
Port Added: 04 May 2003 02:34:18
License: not specified in port


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/
SVNWeb : Main Web Site : Distfiles Availability : PortsMon

NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Required To Build:
  1. lang/f2c
  2. science/openbabel
  3. devel/binutils
  4. lang/gcc
  5. devel/gmake
  6. devel/pkgconf
  7. devel/binutils
  8. textproc/intltool
Required To Run:
  1. lang/f2c
  2. lang/gcc
Required Libraries:
  1. science/mpqc
  2. x11-toolkits/gtkglext
  3. science/libghemical
  4. science/liboglappth
  5. biology/mopac
  6. devel/gettext
  7. graphics/freeglut
  8. accessibility/atk
  9. devel/glib20
  10. devel/pcre
  11. x11-toolkits/gtk20
  12. devel/libglade2
  13. textproc/libxml2
  14. x11-toolkits/pango
There are no ports dependent upon this port

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


Configuration Options
===> The following configuration options are available for ghemical-3.0.0_7:
     NLS=on: Native Language Support
===> Use 'make config' to modify these settings

Master Sites:
  1. http://bioinformatics.org/ghemical/download/current
  2. http://bioinformatics.org/ghemical/download/release20111012/
  3. http://distcache.FreeBSD.org/ports-distfiles/

Number of commits found: 58

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
25 Sep 2014 13:56:06
Original commit files touched by this commit  3.0.0_7
Revision:369254
marino search for other commits by this committer
science/mpqc: Don't override libtool -version-info, bump dependent ports

We accept SHLIB version changes when moving to USE=libtool, so stop
overriding it with the intent of prevent library version changes, which
is considered the better approach over the long term. Two ports are
dependent on mpqc, so bump them for the second time today.

requested by:	tijl@
25 Sep 2014 11:04:03
Original commit files touched by this commit  3.0.0_6
Revision:369236
marino search for other commits by this committer
science: Fix mpqc, libint and unbreak ghemical, and libghemical atomically

science/ghemical would not link because libghemical.so (from science/
libghemical port) had never been properly linked.  Links to all mpqc "SC"
libraries were added to LDFLAGS to rectify this.  The configure breakage
and solution is described below.

After the version of lang/gcc was bumped from 4.7 to 4.8,
science/libghemical ceased to configure and it was marked broken.  After
recreating the conftest, it was discovered that two versions incompatible
versions of libgcc_s.so were getting pulled in by the realtime linker:
the base version and the gcc48 ports version.

The base version was getting pulled in by science/libint.  To unbreak
libghemical, libint is now built with lang/gcc.  It was necessary to
(Only the first 15 lines of the commit message are shown above View all of this commit message)
10 Sep 2014 20:50:37
Original commit files touched by this commit  3.0.0_5
Revision:367888
gerald search for other commits by this committer
Update the default version of GCC in the Ports Collection from GCC 4.7.4
to GCC 4.8.3.

Part II, Bump PORTREVISIONs.

PR:		192025
Tested by:	antoine (-exp runs)
Approved by:	portmgr (implicit)
06 Aug 2014 16:05:24
Original commit files touched by this commit  3.0.0_4
Revision:364197
amdmi3 search for other commits by this committer
- Stagify
- Fix and optionize NLS
24 Jul 2014 16:33:10
Original commit files touched by this commit  3.0.0_3
Revision:362828
bapt search for other commits by this committer
Reset maintainership for ports not staged with no pending PR

With hat:	portmgr
14 Jul 2014 18:42:04
Original commit files touched by this commit  3.0.0_3
Revision:361812
bapt search for other commits by this committer
Modernize LIB_DEPENDS

With hat:	portmgr
16 Apr 2014 18:28:50
Original commit files touched by this commit  3.0.0_3
Revision:351411
zeising search for other commits by this committer
The FreeBSD x11@ and graphics team proudly presents
a zeising, kwm production, with help from dumbbell, bdrewery:

NEW XORG ON FREEBSD 9-STABLE AND 10-STABLE

This update switches over to use the new xorg stack by default on FreeBSD 9
and 10 stable, on osversions where vt(9) is available.
It is still possible to use the old stack by specifying WITHOUT_NEW_XORG in
/etc/make.conf .
FreeBSD 8-STABLE and released versions of FreeBSD still use
the old version.
A package repository with binary packages for new xorg will
be available soon.

This patch also contains updates of libxcb and related ports, pixman, as well
(Only the first 15 lines of the commit message are shown above View all of this commit message)
10 Mar 2014 20:55:22
Original commit files touched by this commit  3.0.0_2
Revision:347809
gerald search for other commits by this committer
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3.  This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.

Part II, Bump PORTREVISIONs.

PR:		182136
Supported by:	Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by:	bdrewery (two -exp runs)
16 Feb 2014 17:15:32
Original commit files touched by this commit  3.0.0_1
Revision:344614
tijl search for other commits by this committer
Convert all USE_FORTRAN=yes to "USES=fortran, USE_GCC=yes".  In most cases
USE_GCC=yes has been omitted though.

Remove USE_FORTRAN handling from bsd.port.mk and bsd.gcc.mk.

Minor cleanups in some ports like USE_GMAKE, NOPORTDOCS,...

Exp-run:	bdrewery
Approved by:	portmgr (bdrewery)
26 Oct 2013 00:52:36
Original commit files touched by this commit  3.0.0_1
Revision:331644
gerald search for other commits by this committer
Update to libmpc version 1.0.1 which brings the following fixes:

 - Switched to automake 1.11.6, see CVE-2012-3386.
 - #14669: Fixed extraction of CC from gmp.h.
 - Fixed case of intermediate zero real or imaginary part in mpc_fma,
   found by hydra with GMP_CHECK_RANDOMIZE=1346362345.

This is on top of the following changes from version 1.0

 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
   invariant sections) for the documentation.
 - 100% of all lines are covered by tests
 - Renamed functions
   . mpc_mul_2exp to mpc_mul_2ui
   . mpc_div_2exp to mpc_div_2ui
(Only the first 15 lines of the commit message are shown above View all of this commit message)
20 Sep 2013 22:48:31
Original commit files touched by this commit  3.0.0
Revision:327767
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
science)
24 Apr 2013 07:35:41
Original commit files touched by this commit  3.0.0
Revision:316407
ak search for other commits by this committer
- Convert USE_GETTEXT to USES (part 1)

Approved by:	portmgr (bapt)
23 Apr 2013 14:20:28
Original commit files touched by this commit  3.0.0
Revision:316355
bapt search for other commits by this committer
Finish converting the whole ports tree to USES=pkgconfig
08 Jan 2013 10:50:12
Original commit files touched by this commit  3.0.0
Revision:310083
maho search for other commits by this committer
Update to 3.0.0.
07 Jan 2013 06:43:56
Original commit files touched by this commit  2.99.2_6
Revision:310025
bapt search for other commits by this committer
- Remove wrong dependency on gtkglarea
While here:
- Trim headers
- Convert USE_GNOME=pkgconfig -> USE_PKGCONFIG= build

Approved by:	maho (maintainer)
11 Dec 2012 14:19:54
Original commit files touched by this commit  2.99.2_5
Revision:308694
makc search for other commits by this committer
science/openbabel:
- Update openbabel to 2.3.2
- Switch to CMake build system
- Add PYTHON and CAIRO options
- Don't rename babel binary, mark conflict with ancient biology/babel

science/py-openbabel:
- Merge py-openbabel to openbabel

other:
- chase openbabel update
04 Aug 2012 22:52:04
Original commit files touched by this commit  2.99.2_4
kwm search for other commits by this committer
Switch from libglut to freeglut and retire libglut. Libglut hasn't been
developed in years and has been dropped from the MESA 8.0 distribution.
Freeglut is a rewrite of glut and is actively developed and is used by
many linux distributions instead of libglut.

Bump all ports that directly depend on libglut because of the shlib version
change.

There are some extra items in this patch.

*) Because freeglut doesn't have the same dependancies as libglut, some ports
	need extra dependencies added to USE_XORG to make them build.
*) Mark graphics/f90gl broken, f90gl depends on a header that is only shipped
	with libglut.
*) Remove option for libglut/freeglut selection in games/cake, only freeglut
	remains now.
*) While here fix a png related build issue games/vegastrike.

Thanks to miwi for running the exp-run.

Approved by:	portmgr (miwi)

Collaboration with:	zeising@
Obtained from:	xorg-dev staging area.
01 Jun 2012 05:26:28
Original commit files touched by this commit  2.99.2_3
dinoex search for other commits by this committer
- update png to 1.5.10
23 Sep 2011 22:26:39
Original commit files touched by this commit  2.99.2_2
amdmi3 search for other commits by this committer
- Add LDFLAGS to CONFIGURE_ENV and MAKE_ENV (as it was done with LDFLAGS)
- Fix all ports that add {CPP,LD}FLAGS to *_ENV to modify flags instead

PR:             157936
Submitted by:   myself
Exp-runs by:    pav
Approved by:    pav
03 Jul 2011 13:22:25
Original commit files touched by this commit  2.99.2_2
ohauer search for other commits by this committer
 - remove MD5
29 Dec 2010 20:04:42
Original commit files touched by this commit  2.99.2_2
pgollucci search for other commits by this committer
- DISTNAME= ${PORTNAME}-${PORTVERSION} is the default and not needed.

PR:             ports/153292
Submitted by:   myself (pgollucci)
Tested by:      -exp run by pav
Approved by:    portmgr (pav)
28 Mar 2010 06:47:48
Original commit files touched by this commit  2.99.2_2
dinoex search for other commits by this committer
- update to 1.4.1
Reviewed by:    exp8 run on pointyhat
Supported by:   miwi
05 Feb 2010 11:46:55
Original commit files touched by this commit  2.99.2_1
dinoex search for other commits by this committer
- update to jpeg-8
05 Nov 2009 09:54:55
Original commit files touched by this commit  2.99.2
maho search for other commits by this committer
Update to 2.99.2.

Feature safe:   yes
13 Sep 2009 00:08:01
Original commit files touched by this commit  2.98_3
gerald search for other commits by this committer
Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr
31 Jul 2009 13:57:52
Original commit files touched by this commit  2.98_2
dinoex search for other commits by this committer
- bump all port that indirectly depends on libjpeg and have not yet been bumped
or updated
Requested by:   edwin
17 Feb 2009 07:25:59
Original commit files touched by this commit  2.98_1
maho search for other commits by this committer
Fix build with gcc43.

Spotted by pav
11 Jan 2009 23:16:12
Original commit files touched by this commit  2.98_1
maho search for other commits by this committer
Remove CONFIGURE_ENV

Submitted by:   gerald@
07 Jan 2009 16:34:27
Original commit files touched by this commit  2.98_1
gerald search for other commits by this committer
Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.
22 Aug 2008 22:36:30
Original commit files touched by this commit  2.98
maho search for other commits by this committer
Update to 2.98.
07 Jul 2008 00:08:33
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 13:59:05
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 10:33:14
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 20:32:57
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 11:43:45
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 07:51:24
Original commit files touched by this commit  2.01
maho search for other commits by this committer
Update to 2.01
28 May 2006 11:20:09
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 09:02:47
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 04:15:53
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 07:26:50
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 17:23:32
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 02:33:52
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: 58

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