The FreeBSD Ports Archive
FreeBSD science  : mpqc
The massively parallel quantum computing library and program
MPQC is the Massively Parallel Quantum Chemistry Program. It computes
properties of atoms and molecules from first principles using the time
independent Schrodinger equation. It runs on a wide range of architectures
ranging from individual workstations to symmetric multiprocessors to
massively parallel computers. Its design is object oriented, using the C++
programming language.
Capabilities
o Closed shell and general restricted open shell Hartree-Fock energies and
gradients
o Second order open shell perturbation theory (OPT2[2]) and Z-averaged
perturbation theory (ZAPT2) energies.
o Second order closed shell Moller-Plesset perturbation theory energies and
gradients.
o Robust internal coordinate geometry optimizer that efficiently optimizes
molecules with many degrees of freedom.
You can also validate your mpqc binaries when you employ other settings by:
% make validate >& validate.log &
(it may take few days, though)
For details, please see file:///usr/local/share/doc/mpqc/hierarchy.html
or http://www.mpqc.org/mpqc-html/mpqcval.html
http://www.mpqc.org/
|
mpqc history
v. 1.47
date: 2007/09/30 04:47:23; author: linimon; state: Exp; lines: +4 -4
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.
PR: ports/116639
Submitted by: aDe
v. 1.46
date: 2007/07/14 22:24:53; author: maho; state: Exp; lines: +1 -1
Correct mpich dependency.
v. 1.45
date: 2007/07/14 09:07:25; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.44
date: 2007/05/19 20:22:15; author: flz; state: Exp; lines: +1 -1
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
v. 1.43
date: 2007/02/19 07:30:58; author: maho; state: Exp; lines: +5 -2
Build fix for mpqc-mpich.
v. 1.42
date: 2007/02/14 05:14:04; author: maho; state: Exp; lines: +1 -0
Fix pkg-plist.
Submitted by: krismail
v. 1.41
date: 2007/02/12 07:11:41; author: maho; state: Exp; lines: +10 -3
Now pkg-plist for ${PREFIX}/share/mpqc part is generated
automatically.
v. 1.40
date: 2007/02/10 05:46:37; author: maho; state: Exp; lines: +3 -3
Somehow the documents are not generated on pointyhat build.
To see how it works, generation of the documents is moved
to post-build section.
v. 1.39
date: 2007/01/23 01:52:54; author: maho; state: Exp; lines: +6 -7
More build logs for build fix at pointyhat.
Submitted by: kris via pointyhat
v. 1.38
date: 2007/01/17 03:00:28; author: maho; state: Exp; lines: +1 -1
Add missing dependency for cblas.
v. 1.37
date: 2007/01/12 06:06:48; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.36
date: 2007/01/09 22:56:20; author: maho; state: Exp; lines: +3 -3
*Bump port revision
*Use gfortran compiled atlas/blas/lapack
v. 1.35
date: 2007/01/09 15:01:48; author: maho; state: Exp; lines: +6 -2
Migrate to gfrotran.
v. 1.34
date: 2007/01/06 22:35:25; author: maho; state: Exp; lines: +1 -1
Fix typo.
v. 1.33
date: 2007/01/02 22:14:41; author: maho; state: Exp; lines: +28 -30
Update to 2.3.1.
* documents are now generated with doxygen.
* sort pkg-plist.
* build with libint; now supports some r12 methods.
v. 1.32
date: 2006/11/30 00:57:58; author: maho; state: Exp; lines: +1 -0
Add USE_LDCONFIG.
v. 1.31
date: 2006/11/29 21:40:05; author: maho; state: Exp; lines: +2 -1
Now install shared libs as well (to prevent to pass -fPIC when
creating a static lib. to workaround esp. for amd64).
v. 1.30
date: 2006/11/19 08:42:07; author: maho; state: Exp; lines: +30 -10
* Use BLAS instead of ATLAS if ATLAS doesn't exist.
* mpich part of mpqc-mpich is moved into mpqc port.
* now use mpich2 instead of mpich.
v. 1.29
date: 2005/11/15 06:50:53; author: ade; state: Exp; lines: +1 -1
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.
v. 1.28
date: 2005/11/11 05:00:07; author: maho; state: Exp; lines: +6 -5
Update to 2.3.0
v. 1.27
date: 2005/02/10 04:46:42; author: maho; state: Exp; lines: +1 -0
Fix build by adding USE_BZIP2
Submitted by: kris via pointyhat
v. 1.26
date: 2005/02/02 07:32:19; author: maho; state: Exp; lines: +4 -10
update to 2.2.3
v. 1.25
date: 2004/09/03 03:15:00; author: maho; state: Exp; lines: +3 -3
o Update to 2.2.2 to unbreak for 5-STABLE
(2.2.2 supports gcc-3.4.x)
Submitted by: pointyhat
v. 1.24
date: 2004/08/16 12:13:31; author: maho; state: Exp; lines: +3 -3
USE_ICC -> WITH_ICC, and mpi support
Passed by: portlint
v. 1.23
date: 2004/08/16 11:03:07; author: maho; state: Exp; lines: +22 -4
Add intel C/C++ compiler support
v. 1.22
date: 2004/07/01 17:06:40; author: ade; state: Exp; lines: +1 -1
Autotools cleanup. Remove autoconf257 (259), automake17 (18), and
libtool14 (13/15).
PR: 67768
Submitted by: ade
Approved by: 4-exp bento runs (thanks, kris!)
v. 1.21
date: 2004/05/06 19:49:52; author: maho; state: Exp; lines: +6 -6
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.20
date: 2004/03/10 19:37:24; author: maho; state: Exp; lines: +7 -9
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
v. 1.19
date: 2004/02/04 05:08:42; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.18
date: 2003/12/28 07:16:28; author: maho; state: Exp; lines: +2 -2
Update to 2.2.1
v. 1.17
date: 2003/10/03 21:57:23; author: maho; state: Exp; lines: +1 -1
Update to 2.1.5
v. 1.16
date: 2003/08/11 23:16:49; author: maho; state: Exp; lines: +1 -1
Fix configure failure (autoconf257 is required)
v. 1.15
date: 2003/08/03 04:56:38; author: maho; state: Exp; lines: +13 -6
Update to 2.1.4
v. 1.14
date: 2003/07/27 07:31:26; author: maho; state: Exp; lines: +4 -5
Unbreak by clean-ups.
For unbreak:
a) location of .include "${.CURDIR}/../mpqc/Makefile"
is just after the BUILD_DEPENDS to avoid override.
For clean-ups:
1) ${F77}->${FC}
2) Use ${LOCALBASE} for CONFIGURE_ARGS for mpqc-mpich
3) ${MASTERDIR}/files -> ${FILESDIR}
4) remove LIB_DEPENDS for mpqc-mpich (redundant)
Reported by: bento's log
Reviewed by: okazaki and sf
v. 1.13
date: 2003/05/08 23:57:43; author: maho; state: Exp; lines: +0 -0
Forced commit:
More detailed reason for unbreak is removing
files/patch-::src::bin::mpqc::parse.yy.
See commit log at
http://www.freebsd.org/cgi/getmsg.cgi?fetch=2504495+2506614+/usr/local/www/db/text/2003/cvs-all/20030504.cvs-all
I couldn't find this file even at Attic, why?
However, it is ok, since it is buildable!
v. 1.12
date: 2003/05/08 23:38:07; author: maho; state: Exp; lines: +0 -2
Remove Broken because it really builds by fomer commit.
Pointed out by: kris
v. 1.11
date: 2003/05/06 21:28:04; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not patch
v. 1.10
date: 2003/03/07 06:09:40; author: ade; state: Exp; lines: +1 -0
Clear moonlight beckons.
Requiem mors pacem pkg-comment,
And be calm ports tree.
E Nomini Patri, E Fili, E Spiritu Sancti.
v. 1.9
date: 2003/01/31 23:04:32; author: maho; state: Exp; lines: +12 -4
Update to 2.1.3
enable WITH_OPTIMIZED_FLAGS
Reviewed by: knu (mentor)
v. 1.8
date: 2002/11/24 13:41:11; author: knu; state: Exp; lines: +1 -1
Add parallel to CATEGORIES.
PR: ports/39094
Submitted by: trevor
v. 1.7
date: 2002/11/19 22:59:19; author: maho; state: Exp; lines: +1 -1
Change ${.CURDIR} to ${MASTERDIR} for slave ports.
Noticed by: sada
Reviewed by: knu (mentor)
v. 1.6
date: 2002/11/18 12:19:36; author: maho; state: Exp; lines: +0 -0
(Forced commit)
Upgraded to 2.1.2. Install libraries and headers (sc-toolkit)
as well as binaries. Change the maintainer email address.
Reviewed by: knu (mentor)
v. 1.5
date: 2002/11/18 11:52:33; author: maho; state: Exp; lines: +44 -5
Fix the problem mpqc and mpqc-mpich port
produces two identical packages.
v. 1.4
date: 2002/07/16 06:44:54; author: ijliao; state: Exp; lines: +14 -7
fix broken and make some enhancement
1. using math/atlas(added lapack, blas flags for other choices of lapack,
blas package)
It improves the performance for few percent.
2. override CFLAGS, FFLAGS for C++, C, FORTRAN compiler
3. override CC, F77, C++ for other choices of C++, C, FORTRAN compiler
4. support for parallel computing using MPI.
pass maintainership to submitter
PR: 40631
Submitted by: Nakata Maho (new maintainer)
No Response from: original maintainer (mail bounce)
v. 1.3
date: 2002/06/17 19:39:34; author: ijliao; state: Exp; lines: +9 -5
upgrade to 2.1.1
unbreak
Approved by: maintainer timeout
v. 1.2
date: 2002/05/18 03:25:21; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not build
v. 1.1
date: 2001/06/11 03:27:01; author: will; state: Exp;
Add mpqc 1.2.5, the massively parallel quantum computing library
and program.
PR: 26908
Submitted by: batman
=============================================================================
v. 1.47
date: 2007/09/30 04:47:23; author: linimon; state: Exp; lines: +4 -4
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.
PR: ports/116639
Submitted by: aDe
v. 1.46
date: 2007/07/14 22:24:53; author: maho; state: Exp; lines: +1 -1
Correct mpich dependency.
v. 1.45
date: 2007/07/14 09:07:25; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.44
date: 2007/05/19 20:22:15; author: flz; state: Exp; lines: +1 -1
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
v. 1.43
date: 2007/02/19 07:30:58; author: maho; state: Exp; lines: +5 -2
Build fix for mpqc-mpich.
v. 1.42
date: 2007/02/14 05:14:04; author: maho; state: Exp; lines: +1 -0
Fix pkg-plist.
Submitted by: krismail
v. 1.41
date: 2007/02/12 07:11:41; author: maho; state: Exp; lines: +10 -3
Now pkg-plist for ${PREFIX}/share/mpqc part is generated
automatically.
v. 1.40
date: 2007/02/10 05:46:37; author: maho; state: Exp; lines: +3 -3
Somehow the documents are not generated on pointyhat build.
To see how it works, generation of the documents is moved
to post-build section.
v. 1.39
date: 2007/01/23 01:52:54; author: maho; state: Exp; lines: +6 -7
More build logs for build fix at pointyhat.
Submitted by: kris via pointyhat
v. 1.38
date: 2007/01/17 03:00:28; author: maho; state: Exp; lines: +1 -1
Add missing dependency for cblas.
v. 1.37
date: 2007/01/12 06:06:48; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.36
date: 2007/01/09 22:56:20; author: maho; state: Exp; lines: +3 -3
*Bump port revision
*Use gfortran compiled atlas/blas/lapack
v. 1.35
date: 2007/01/09 15:01:48; author: maho; state: Exp; lines: +6 -2
Migrate to gfrotran.
v. 1.34
date: 2007/01/06 22:35:25; author: maho; state: Exp; lines: +1 -1
Fix typo.
v. 1.33
date: 2007/01/02 22:14:41; author: maho; state: Exp; lines: +28 -30
Update to 2.3.1.
* documents are now generated with doxygen.
* sort pkg-plist.
* build with libint; now supports some r12 methods.
v. 1.32
date: 2006/11/30 00:57:58; author: maho; state: Exp; lines: +1 -0
Add USE_LDCONFIG.
v. 1.31
date: 2006/11/29 21:40:05; author: maho; state: Exp; lines: +2 -1
Now install shared libs as well (to prevent to pass -fPIC when
creating a static lib. to workaround esp. for amd64).
v. 1.30
date: 2006/11/19 08:42:07; author: maho; state: Exp; lines: +30 -10
* Use BLAS instead of ATLAS if ATLAS doesn't exist.
* mpich part of mpqc-mpich is moved into mpqc port.
* now use mpich2 instead of mpich.
v. 1.29
date: 2005/11/15 06:50:53; author: ade; state: Exp; lines: +1 -1
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.
v. 1.28
date: 2005/11/11 05:00:07; author: maho; state: Exp; lines: +6 -5
Update to 2.3.0
v. 1.27
date: 2005/02/10 04:46:42; author: maho; state: Exp; lines: +1 -0
Fix build by adding USE_BZIP2
Submitted by: kris via pointyhat
v. 1.26
date: 2005/02/02 07:32:19; author: maho; state: Exp; lines: +4 -10
update to 2.2.3
v. 1.25
date: 2004/09/03 03:15:00; author: maho; state: Exp; lines: +3 -3
o Update to 2.2.2 to unbreak for 5-STABLE
(2.2.2 supports gcc-3.4.x)
Submitted by: pointyhat
v. 1.24
date: 2004/08/16 12:13:31; author: maho; state: Exp; lines: +3 -3
USE_ICC -> WITH_ICC, and mpi support
Passed by: portlint
v. 1.23
date: 2004/08/16 11:03:07; author: maho; state: Exp; lines: +22 -4
Add intel C/C++ compiler support
v. 1.22
date: 2004/07/01 17:06:40; author: ade; state: Exp; lines: +1 -1
Autotools cleanup. Remove autoconf257 (259), automake17 (18), and
libtool14 (13/15).
PR: 67768
Submitted by: ade
Approved by: 4-exp bento runs (thanks, kris!)
v. 1.21
date: 2004/05/06 19:49:52; author: maho; state: Exp; lines: +6 -6
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.20
date: 2004/03/10 19:37:24; author: maho; state: Exp; lines: +7 -9
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
v. 1.19
date: 2004/02/04 05:08:42; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.18
date: 2003/12/28 07:16:28; author: maho; state: Exp; lines: +2 -2
Update to 2.2.1
v. 1.17
date: 2003/10/03 21:57:23; author: maho; state: Exp; lines: +1 -1
Update to 2.1.5
v. 1.16
date: 2003/08/11 23:16:49; author: maho; state: Exp; lines: +1 -1
Fix configure failure (autoconf257 is required)
v. 1.15
date: 2003/08/03 04:56:38; author: maho; state: Exp; lines: +13 -6
Update to 2.1.4
v. 1.14
date: 2003/07/27 07:31:26; author: maho; state: Exp; lines: +4 -5
Unbreak by clean-ups.
For unbreak:
a) location of .include "${.CURDIR}/../mpqc/Makefile"
is just after the BUILD_DEPENDS to avoid override.
For clean-ups:
1) ${F77}->${FC}
2) Use ${LOCALBASE} for CONFIGURE_ARGS for mpqc-mpich
3) ${MASTERDIR}/files -> ${FILESDIR}
4) remove LIB_DEPENDS for mpqc-mpich (redundant)
Reported by: bento's log
Reviewed by: okazaki and sf
v. 1.13
date: 2003/05/08 23:57:43; author: maho; state: Exp; lines: +0 -0
Forced commit:
More detailed reason for unbreak is removing
files/patch-::src::bin::mpqc::parse.yy.
See commit log at
http://www.freebsd.org/cgi/getmsg.cgi?fetch=2504495+2506614+/usr/local/www/db/text/2003/cvs-all/20030504.cvs-all
I couldn't find this file even at Attic, why?
However, it is ok, since it is buildable!
v. 1.12
date: 2003/05/08 23:38:07; author: maho; state: Exp; lines: +0 -2
Remove Broken because it really builds by fomer commit.
Pointed out by: kris
v. 1.11
date: 2003/05/06 21:28:04; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not patch
v. 1.10
date: 2003/03/07 06:09:40; author: ade; state: Exp; lines: +1 -0
Clear moonlight beckons.
Requiem mors pacem pkg-comment,
And be calm ports tree.
E Nomini Patri, E Fili, E Spiritu Sancti.
v. 1.9
date: 2003/01/31 23:04:32; author: maho; state: Exp; lines: +12 -4
Update to 2.1.3
enable WITH_OPTIMIZED_FLAGS
Reviewed by: knu (mentor)
v. 1.8
date: 2002/11/24 13:41:11; author: knu; state: Exp; lines: +1 -1
Add parallel to CATEGORIES.
PR: ports/39094
Submitted by: trevor
v. 1.7
date: 2002/11/19 22:59:19; author: maho; state: Exp; lines: +1 -1
Change ${.CURDIR} to ${MASTERDIR} for slave ports.
Noticed by: sada
Reviewed by: knu (mentor)
v. 1.6
date: 2002/11/18 12:19:36; author: maho; state: Exp; lines: +0 -0
(Forced commit)
Upgraded to 2.1.2. Install libraries and headers (sc-toolkit)
as well as binaries. Change the maintainer email address.
Reviewed by: knu (mentor)
v. 1.5
date: 2002/11/18 11:52:33; author: maho; state: Exp; lines: +44 -5
Fix the problem mpqc and mpqc-mpich port
produces two identical packages.
v. 1.4
date: 2002/07/16 06:44:54; author: ijliao; state: Exp; lines: +14 -7
fix broken and make some enhancement
1. using math/atlas(added lapack, blas flags for other choices of lapack,
blas package)
It improves the performance for few percent.
2. override CFLAGS, FFLAGS for C++, C, FORTRAN compiler
3. override CC, F77, C++ for other choices of C++, C, FORTRAN compiler
4. support for parallel computing using MPI.
pass maintainership to submitter
PR: 40631
Submitted by: Nakata Maho (new maintainer)
No Response from: original maintainer (mail bounce)
v. 1.3
date: 2002/06/17 19:39:34; author: ijliao; state: Exp; lines: +9 -5
upgrade to 2.1.1
unbreak
Approved by: maintainer timeout
v. 1.2
date: 2002/05/18 03:25:21; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not build
v. 1.1
date: 2001/06/11 03:27:01; author: will; state: Exp;
Add mpqc 1.2.5, the massively parallel quantum computing library
and program.
PR: 26908
Submitted by: batman
=============================================================================
v. 1.47
date: 2007/09/30 04:47:23; author: linimon; state: Exp; lines: +4 -4
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.
PR: ports/116639
Submitted by: aDe
v. 1.46
date: 2007/07/14 22:24:53; author: maho; state: Exp; lines: +1 -1
Correct mpich dependency.
v. 1.45
date: 2007/07/14 09:07:25; author: maho; state: Exp; lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.44
date: 2007/05/19 20:22:15; author: flz; state: Exp; lines: +1 -1
- Welcome X.org 7.2 \o/.
- Set X11BASE to ${LOCALBASE} for recent ${OSVERSION}.
- Bump PORTREVISION for ports intalling files in ${X11BASE}.
v. 1.43
date: 2007/02/19 07:30:58; author: maho; state: Exp; lines: +5 -2
Build fix for mpqc-mpich.
v. 1.42
date: 2007/02/14 05:14:04; author: maho; state: Exp; lines: +1 -0
Fix pkg-plist.
Submitted by: krismail
v. 1.41
date: 2007/02/12 07:11:41; author: maho; state: Exp; lines: +10 -3
Now pkg-plist for ${PREFIX}/share/mpqc part is generated
automatically.
v. 1.40
date: 2007/02/10 05:46:37; author: maho; state: Exp; lines: +3 -3
Somehow the documents are not generated on pointyhat build.
To see how it works, generation of the documents is moved
to post-build section.
v. 1.39
date: 2007/01/23 01:52:54; author: maho; state: Exp; lines: +6 -7
More build logs for build fix at pointyhat.
Submitted by: kris via pointyhat
v. 1.38
date: 2007/01/17 03:00:28; author: maho; state: Exp; lines: +1 -1
Add missing dependency for cblas.
v. 1.37
date: 2007/01/12 06:06:48; author: maho; state: Exp; lines: +5 -3
* Use gfortran42 only and not gcc42.
* Bump portrevision.
v. 1.36
date: 2007/01/09 22:56:20; author: maho; state: Exp; lines: +3 -3
*Bump port revision
*Use gfortran compiled atlas/blas/lapack
v. 1.35
date: 2007/01/09 15:01:48; author: maho; state: Exp; lines: +6 -2
Migrate to gfrotran.
v. 1.34
date: 2007/01/06 22:35:25; author: maho; state: Exp; lines: +1 -1
Fix typo.
v. 1.33
date: 2007/01/02 22:14:41; author: maho; state: Exp; lines: +28 -30
Update to 2.3.1.
* documents are now generated with doxygen.
* sort pkg-plist.
* build with libint; now supports some r12 methods.
v. 1.32
date: 2006/11/30 00:57:58; author: maho; state: Exp; lines: +1 -0
Add USE_LDCONFIG.
v. 1.31
date: 2006/11/29 21:40:05; author: maho; state: Exp; lines: +2 -1
Now install shared libs as well (to prevent to pass -fPIC when
creating a static lib. to workaround esp. for amd64).
v. 1.30
date: 2006/11/19 08:42:07; author: maho; state: Exp; lines: +30 -10
* Use BLAS instead of ATLAS if ATLAS doesn't exist.
* mpich part of mpqc-mpich is moved into mpqc port.
* now use mpich2 instead of mpich.
v. 1.29
date: 2005/11/15 06:50:53; author: ade; state: Exp; lines: +1 -1
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.
v. 1.28
date: 2005/11/11 05:00:07; author: maho; state: Exp; lines: +6 -5
Update to 2.3.0
v. 1.27
date: 2005/02/10 04:46:42; author: maho; state: Exp; lines: +1 -0
Fix build by adding USE_BZIP2
Submitted by: kris via pointyhat
v. 1.26
date: 2005/02/02 07:32:19; author: maho; state: Exp; lines: +4 -10
update to 2.2.3
v. 1.25
date: 2004/09/03 03:15:00; author: maho; state: Exp; lines: +3 -3
o Update to 2.2.2 to unbreak for 5-STABLE
(2.2.2 supports gcc-3.4.x)
Submitted by: pointyhat
v. 1.24
date: 2004/08/16 12:13:31; author: maho; state: Exp; lines: +3 -3
USE_ICC -> WITH_ICC, and mpi support
Passed by: portlint
v. 1.23
date: 2004/08/16 11:03:07; author: maho; state: Exp; lines: +22 -4
Add intel C/C++ compiler support
v. 1.22
date: 2004/07/01 17:06:40; author: ade; state: Exp; lines: +1 -1
Autotools cleanup. Remove autoconf257 (259), automake17 (18), and
libtool14 (13/15).
PR: 67768
Submitted by: ade
Approved by: 4-exp bento runs (thanks, kris!)
v. 1.21
date: 2004/05/06 19:49:52; author: maho; state: Exp; lines: +6 -6
Make portlint happy by replacing space to tab
PR: 65409
Submitted by: trevor
v. 1.20
date: 2004/03/10 19:37:24; author: maho; state: Exp; lines: +7 -9
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
v. 1.19
date: 2004/02/04 05:08:42; author: marcus; state: Exp; lines: +1 -0
Bump PORTREVISION on all ports that depend on gettext to aid with upgrading.
(Part 1)
v. 1.18
date: 2003/12/28 07:16:28; author: maho; state: Exp; lines: +2 -2
Update to 2.2.1
v. 1.17
date: 2003/10/03 21:57:23; author: maho; state: Exp; lines: +1 -1
Update to 2.1.5
v. 1.16
date: 2003/08/11 23:16:49; author: maho; state: Exp; lines: +1 -1
Fix configure failure (autoconf257 is required)
v. 1.15
date: 2003/08/03 04:56:38; author: maho; state: Exp; lines: +13 -6
Update to 2.1.4
v. 1.14
date: 2003/07/27 07:31:26; author: maho; state: Exp; lines: +4 -5
Unbreak by clean-ups.
For unbreak:
a) location of .include "${.CURDIR}/../mpqc/Makefile"
is just after the BUILD_DEPENDS to avoid override.
For clean-ups:
1) ${F77}->${FC}
2) Use ${LOCALBASE} for CONFIGURE_ARGS for mpqc-mpich
3) ${MASTERDIR}/files -> ${FILESDIR}
4) remove LIB_DEPENDS for mpqc-mpich (redundant)
Reported by: bento's log
Reviewed by: okazaki and sf
v. 1.13
date: 2003/05/08 23:57:43; author: maho; state: Exp; lines: +0 -0
Forced commit:
More detailed reason for unbreak is removing
files/patch-::src::bin::mpqc::parse.yy.
See commit log at
http://www.freebsd.org/cgi/getmsg.cgi?fetch=2504495+2506614+/usr/local/www/db/text/2003/cvs-all/20030504.cvs-all
I couldn't find this file even at Attic, why?
However, it is ok, since it is buildable!
v. 1.12
date: 2003/05/08 23:38:07; author: maho; state: Exp; lines: +0 -2
Remove Broken because it really builds by fomer commit.
Pointed out by: kris
v. 1.11
date: 2003/05/06 21:28:04; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not patch
v. 1.10
date: 2003/03/07 06:09:40; author: ade; state: Exp; lines: +1 -0
Clear moonlight beckons.
Requiem mors pacem pkg-comment,
And be calm ports tree.
E Nomini Patri, E Fili, E Spiritu Sancti.
v. 1.9
date: 2003/01/31 23:04:32; author: maho; state: Exp; lines: +12 -4
Update to 2.1.3
enable WITH_OPTIMIZED_FLAGS
Reviewed by: knu (mentor)
v. 1.8
date: 2002/11/24 13:41:11; author: knu; state: Exp; lines: +1 -1
Add parallel to CATEGORIES.
PR: ports/39094
Submitted by: trevor
v. 1.7
date: 2002/11/19 22:59:19; author: maho; state: Exp; lines: +1 -1
Change ${.CURDIR} to ${MASTERDIR} for slave ports.
Noticed by: sada
Reviewed by: knu (mentor)
v. 1.6
date: 2002/11/18 12:19:36; author: maho; state: Exp; lines: +0 -0
(Forced commit)
Upgraded to 2.1.2. Install libraries and headers (sc-toolkit)
as well as binaries. Change the maintainer email address.
Reviewed by: knu (mentor)
v. 1.5
date: 2002/11/18 11:52:33; author: maho; state: Exp; lines: +44 -5
Fix the problem mpqc and mpqc-mpich port
produces two identical packages.
v. 1.4
date: 2002/07/16 06:44:54; author: ijliao; state: Exp; lines: +14 -7
fix broken and make some enhancement
1. using math/atlas(added lapack, blas flags for other choices of lapack,
blas package)
It improves the performance for few percent.
2. override CFLAGS, FFLAGS for C++, C, FORTRAN compiler
3. override CC, F77, C++ for other choices of C++, C, FORTRAN compiler
4. support for parallel computing using MPI.
pass maintainership to submitter
PR: 40631
Submitted by: Nakata Maho (new maintainer)
No Response from: original maintainer (mail bounce)
v. 1.3
date: 2002/06/17 19:39:34; author: ijliao; state: Exp; lines: +9 -5
upgrade to 2.1.1
unbreak
Approved by: maintainer timeout
v. 1.2
date: 2002/05/18 03:25:21; author: kris; state: Exp; lines: +2 -0
BROKEN: Does not build
v. 1.1
date: 2001/06/11 03:27:01; author: will; state: Exp;
Add mpqc 1.2.5, the massively parallel quantum computing library
and program.
PR: 26908
Submitted by: batman
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