Commit graph

284 commits

Author SHA1 Message Date
Maho Nakata
34ce1bef94 A Density functional software. This software has a unique design
based upon the DFT++ algebraic framework introduced in Computer
Physics Communications 128, 1-45 (June 2000).
This framework allows us to transparently separate the computational
guts (cache optimization, parallelization, etc.) from the introduction
of new representations (plane waves, wavelets) and new
physics (new density functionals, linear response theory,
dielectric solutions).
The software is fully cache and register optimized,
and runs in serial, threaded, MPI and mixed threaded-MPI
parallel environments.
2004-03-20 04:50:45 +00:00
Maho Nakata
4049153e20 1) add documents
2) add note for citation in pkg-message
2004-03-19 10:02:05 +00:00
Maho Nakata
416fa53bb8 The PSI3 suite of quantum chemical programs is designed for efficient,
high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
2004-03-19 09:32:49 +00:00
Maho Nakata
23c0b4c300 SIZEify
Submitted by:	trevor
2004-03-19 04:09:18 +00:00
Trevor Johnson
33fdc4cde2 SIZEify. 2004-03-17 18:29:46 +00:00
Pav Lucistnik
a121a28b20 - cdcl is a build dependency
PR:		ports/64322
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp> (maintainer)
2004-03-16 19:04:05 +00:00
Edwin Groothuis
c9ea361463 Chase library bump of libSDL-1.1 for all ports which were depending
on sdl12-1.2.5
2004-03-16 04:23:56 +00:00
Akinori MUSHA
1fd1d70a3c Update to 0.5.4.
PR:		ports/64243
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
2004-03-15 09:45:13 +00:00
Pav Lucistnik
c547a95b52 Add gave, a gtk+ based grid data analyser and viewer written in Ruby.
PR:		ports/64249
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
2004-03-14 16:52:34 +00:00
Pav Lucistnik
879f7f47f5 Add ruby-gphys, a multi-purpose class to handle gridded physical
quantities for Ruby.

PR:		ports/64248
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
2004-03-14 16:34:51 +00:00
Pav Lucistnik
f1d98b64aa - Update to 1.4.0
PR:		ports/64245
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp> (maintainer)
2004-03-14 15:54:55 +00:00
Pav Lucistnik
e155e5ac8c - Fixup package 2004-03-14 13:29:12 +00:00
Pav Lucistnik
adcebfa2a2 - Update gtk patch to version 5
- Fix cdcl-gtk package

PR:		ports/64241
Submitted by:	Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp> (maintainer)
2004-03-14 13:26:50 +00:00
Ade Lovett
3f651573ad 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.
2004-03-14 06:17:56 +00:00
Pav Lucistnik
a78dbfc003 - Update to 0.4.1 2004-03-11 22:28:20 +00:00
Pav Lucistnik
c8cb5effcf - Update to 0.2.4 2004-03-11 22:27:49 +00:00
Maho Nakata
05d7ab3f86 Clean up this port
1) reduce optimization level and remove
   inappropreate optimization flags
2) use autoconf 257
3) remove lapack dependency
4) fix pkg-plist
2004-03-10 19:37:24 +00:00
Kris Kennaway
febe0369f4 BROKEN on amd64 and alpha: Does not compile 2004-03-09 12:15:30 +00:00
Pav Lucistnik
68e6670c60 - Attempt to fix build on Sparc
PR:		ports/63929
Submitted by:	Quincey Koziol <koziol@ncsa.uiuc.edu> (maintainer)
2004-03-08 22:52:17 +00:00
Maho Nakata
223ed1f08f USE MASTERDIR when include Makefile
PR:	63730
Submitted by:  Mark Linimon <linimon@FreeBSD.org>
Suggestion by: Masafumi Otsune <info@otsune.com>
2004-03-07 22:46:42 +00:00
Kris Kennaway
8b1e74ee98 BROKEN on sparc64: Configure fails. 2004-03-06 23:26:19 +00:00
Kris Kennaway
8bc6631b6a BROKEN on !i386 and !alpha: Does not compile 2004-03-06 23:24:07 +00:00
Maho Nakata
d77523f67e 1) some cleanups and enhancements
2) sorry I didn't mention your PR

PR:		63366
Submitted by:	Vladimir I. Chukharev <chu@gpi.ru>
2004-03-06 21:50:13 +00:00
Kris Kennaway
c27fcef938 BROKEN on alpha: Does not compile 2004-03-05 11:15:44 +00:00
Kirill Ponomarev
4009f1ce48 - Update to version 1.3
PR:		ports/63755
Submitted by:	Ports Fury
2004-03-04 16:18:28 +00:00
Pav Lucistnik
ef6167c2be - Update to 1.100.2
PR:		ports/63756
Submitted by:	Ports Fury
2004-03-04 13:03:10 +00:00
Pav Lucistnik
94aeda9830 - Fix packaging of slave ports
Reported by:	bento via kris
2004-03-04 09:18:02 +00:00
Oliver Eikemeier
dd65b6d747 set CATEGORIES equal to science/hdf5, fixing PKGORIGIN 2004-02-29 09:10:21 +00:00
Pav Lucistnik
c4aeff560d Add ruby-dcl, a ruby interface to DCL, a scienific graphical library.
Add ruby-dcl-gtk, a slave port for ruby-dcl with gtk patches.

PR:		ports/62873, ports/62874
Submitted by:	<murashin@edamame.summing.com>
2004-02-27 23:54:14 +00:00
Maho Nakata
740072f5ca update to 1.01 and unbreak
Submitted by:	kris via bento
2004-02-27 23:00:52 +00:00
Pav Lucistnik
1b9c85e3ce - Make MAINTAINER and COMMENT fields overridable by slave port 2004-02-27 22:46:08 +00:00
Pav Lucistnik
a3174cd993 Add cdcl-gtk, a slave port for science/cdcl with enabled Gtk support.
PR:		ports/62872
Submitted by:	Shin'ya Murakami <murashin@edamame.summing.com>
2004-02-27 22:44:17 +00:00
Pav Lucistnik
abccc824b8 Add cdcl, a scientific graphic library for geoscience
PR:		ports/62871
Submitted by:	Shin'ya Murakami <murashin@edamame.summing.com>
2004-02-27 22:35:23 +00:00
Pav Lucistnik
11a7fb8caf Chase repomove graphics/hdf* -> science/hdf* 2004-02-25 22:55:55 +00:00
Pav Lucistnik
ddae07176b Unhook hdf* ports in graphics, hook them in science. 2004-02-25 22:55:01 +00:00
Pav Lucistnik
62a65c8a91 After repocopy from graphics/hdf5,
- Update to 1.6.2
- Pass maintainership to submitter

PR:		ports/63252
Submitted by:	Quincey Koziol <koziol@ncsa.uiuc.edu>
2004-02-25 22:53:22 +00:00
Pav Lucistnik
378a7855e6 - Update to 1.0.1
PR:		ports/63186
Submitted by:	Andreas Fehlner <fehlner@gmx.de> (maintainer)
2004-02-24 17:30:07 +00:00
Kris Kennaway
a7a42e3991 This is broken on 4.x as well. 2004-02-23 00:35:23 +00:00
Kris Kennaway
fae9f92b33 BROKEN: Checksum mismatch 2004-02-22 09:59:21 +00:00
Kris Kennaway
ee720b5f75 BROKEN on 5.x: does not compile 2004-02-17 22:37:50 +00:00
Akinori MUSHA
80e9515aaa Update to 0.5.3
PR:		ports/62803
Submitted by:	Shin'ya Murakami <murashin@edamame.summing.com>

Add build time dependency to ruby-narray.
2004-02-17 03:53:44 +00:00
Kirill Ponomarev
ed1c6d6ceb - Fix build on AMD64 2004-02-07 22:00:53 +00:00
Oliver Lehmann
0416e0a44c fix build on current 2004-02-07 13:54:10 +00:00
Kirill Ponomarev
857e094afe - Fix build on -current
PR:		ports/62431
Submitted by:	Ports Fury
2004-02-06 14:16:24 +00:00
Kris Kennaway
f88ab08257 BROKEN: Does not compile on 5.x 2004-02-05 06:00:34 +00:00
Joe Marcus Clarke
73f7c91b5d Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
2004-02-04 05:10:27 +00:00
Pav Lucistnik
18e3aaf57f Gramps (Genealogical Research and Analysis Management Programming System)
is an open source genealogy program. It is written in Python, using the
GTK/GNOME interface.

WWW: http://gramps.sourceforge.net

PR:		ports/62171
Submitted by:	Andreas Fehlner <fehlner@gmx.de>
2004-02-01 03:09:52 +00:00
Pav Lucistnik
a2fc883c1e - Remove local mastersite now Savannah is back 2004-01-29 16:43:47 +00:00
Trevor Johnson
f15b845ebe SIZEify. 2004-01-29 16:13:06 +00:00
Trevor Johnson
0c881ba59c SIZEify. 2004-01-29 07:24:56 +00:00