ghemical 2.99.2_2 science =0

Ghemical is a computational chemistry software package
Maintained by: maho@FreeBSD.org
Port Added: 04 May 2003 02:34:18
License: not specified in port

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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

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NOTE: FreshPorts displays only required dependencies information. Optional dependencies are not covered.
Required To Build: lang/f2c, science/openbabel, devel/binutils, devel/gmake, lang/gcc46, devel/binutils, textproc/intltool, devel/pkg-config
Required To Run: lang/f2c, lang/gcc46, 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
There are no ports dependent upon this port

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

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Configuration Options

     No options to configure

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Master Sites:

http://www.uku.fi/~thassine/projects/download/release20090911/

http://bioinformatics.org/ghemical/download/

ftp://ftp.FreeBSD.org/pub/FreeBSD/ports/distfiles/

- 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

 - remove MD5

- 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)

- update to 1.4.1
Reviewed by:    exp8 run on pointyhat
Supported by:   miwi

- update to jpeg-8

Update to 2.99.2.

Feature safe:   yes

Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr

- bump all port that indirectly depends on libjpeg and have not yet been bumped
or updated
Requested by:   edwin

Fix build with gcc43.

Spotted by pav

Remove CONFIGURE_ENV

Submitted by:   gerald@

Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.

Update to 2.98.

Bump portrevision after openbabel update.

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)

Now we use USE_FORTRAN=yes to use FORTRAN compiler.

- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.

* Migrate to gfortran.
* Bump port revision.
* gamess output support.

- Fix build

Approved by:    maho (maintainer, implicit)

Update to 2.10.

Fix build dependency

Submitted by:   Vladimir Chukharev <Vladimir.Chukharev@tut.fi>

Update to 2.01

fix pkg-plist

Submitted by:   boris

- change mirror
- fix http://people.freebsd.org/~fenner/portsurvey/science.html#ghemical

PR:             97833
Submitted by:   Martin Wilke <freebsd@unixfreunde.de>

Remove USE_REINPLACE from all categories starting with S

Bump PORTREVISION on glib12/gtk12 consumer ports to ease the upgrade path.

Discussed with: kris
Approved by:    portmgr (implicit)

Conversion to a single libtool environment.

Approved by:    portmgr (kris)

SHA256ify

Approved by: krion@

- 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>

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.

- Change last few occurences of USE_GTK=yes to USE_GNOME=gtk12

Approved by:    portmgr (marcus)

Unbreak for FreeBSD >=5.x

Submitted by:   linimon

BROKEN on 5.x: Does not compile

Approved by:    portmgr (self)

SIZEify

Submitted by:   trevor

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.

1) some cleanups and enhancements
2) sorry I didn't mention your PR

PR:             63366
Submitted by:   Vladimir I. Chukharev <chu@gpi.ru>

update to 1.01 and unbreak

Submitted by:   kris via bento

This is broken on 4.x as well.

BROKEN on 5.x: does not compile

Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.

(Part 1)

Add new port science/ghemical
a computational chemistry software package

12 vulnerabilities affecting 17 ports have been reported in the past 14 days

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