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156 Commits

Author SHA1 Message Date
Yuri Victorovich
afe3bebe7c science/gromacs: update 2024.2 → 2024.3 2024-09-09 18:32:40 -07:00
Yuri Victorovich
bdbfeda4ce science/gromacs: Minor correction 2024-05-27 15:52:35 -07:00
Yuri Victorovich
5863a5b67a science/gromacs: Fix build on systems without OpenMP 
Reported by:	fallout
 2024-05-18 09:52:20 -07:00
Yuri Victorovich
66599d0f47 science/gromacs: update 2024.1 → 2024.2 
Reported by:	portscout
 2024-05-12 01:06:49 -07:00
Yuri Victorovich
2d3d49352e science/gromacs: update 2023.2 → 2024.1 2024-03-29 09:06:08 -07:00
Thierry Thomas
f2489ab0c7 */*: chase the upgrade of BLAS / LAPACK to 3.12.0 
PR:		275860
 2024-01-01 12:49:51 +01:00
Yuri Victorovich
a9d5d7a02a science/gromacs: Add comment 2023-11-03 19:27:59 -07:00
Daniel Engberg
6c44e80aa1 science/gromacs: Use https for MASTER_SITES and GCC for build 
- Switch MASTER_SITES to https
- Fails to build with LLVM 14-17, use GCC instead

Reference:
c3174cdd90/Formula/g/gromacs.rb

PR:		274435
Reviewed by:	yuri (maintainer)
 2023-10-14 19:38:19 +02:00
Yuri Victorovich
40154a4aa7 science/gromacs: Multiple improvements 
* remove dependency on xorg: last xorg utility was retired some time ago
* add HWLOC option and pass cmake argument: hwloc2 is only used when
  this argument is supplied
* refactor OPENCL option: add OPENCL_NONE, OPENCL_ICD, OPENCL_SYCL options
* refactor SIMD option: use the AUTO value when set
* correct OPENMP option
 2023-07-20 10:32:41 -07:00
Yuri Victorovich
038e81ab53 science/gromacs: Fix tests 
... by replacing the old bundled googletest with a newest release.
 2023-07-13 17:21:33 -07:00
Yuri Victorovich
2ab27802c9 science/gromacs: Add TEST_DEPENDS; Remove unnecessary patch command 2023-07-13 08:57:37 -07:00
Yuri Victorovich
60e303f708 science/gromacs: Update 2023.1 → 2023.2 
Reported by:	portscout
 2023-07-12 22:34:55 -07:00
Yuri Victorovich
749238be28 science/gromacs: Update 2022.4 → 2023.1 
Reported by:	portscout
 2023-06-13 16:21:55 -07:00
Gerald Pfeifer
8d3e020ed0 *: Bump PORTREVISIONs for math/mpc update to 1.3.1 2023-04-23 09:09:58 +00:00
Yuri Victorovich
579e44f45a science/gromacs: Update 2022.3 -> 2022.4 
Reported by:	portscout
 2022-12-25 23:19:03 -08:00
Stefan Eßer
fb16dfecae Remove WWW entries moved into port Makefiles 
Commit b7f05445c0 has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
 2022-09-07 23:58:51 +02:00
Stefan Eßer
b7f05445c0 Add WWW entries to port Makefiles 
It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.

This commit implements such a proposal and moves one of the WWW: entries
of each pkg-descr file into the respective port's Makefile. A heuristic
attempts to identify the most relevant URL in case there is more than
one WWW: entry in some pkg-descr file. URLs that are not moved into the
Makefile are prefixed with "See also:" instead of "WWW:" in the pkg-descr
files in order to preserve them.

There are 1256 ports that had no WWW: entries in pkg-descr files. These
ports will not be touched in this commit.

The portlint port has been adjusted to expect a WWW entry in each port
Makefile, and to flag any remaining "WWW:" lines in pkg-descr files as
deprecated.

Approved by:		portmgr (tcberner)
 2022-09-07 23:10:59 +02:00
Yuri Victorovich
868893c0fe science/gromacs: Update 2022.2 -> 2022.3; Add test target 
Reported by:	portscout
 2022-09-06 00:08:21 -07:00
Dima Panov
4cf39decb3 */*: bump all consumers after recent boost upgrade 2022-08-12 17:46:53 +03:00
Tobias C. Berner
46196047a4 science: remove 'Created by' lines 
A big Thank You to the original contributors of these ports:

  *  Andreas Fehlner <fehlner@gmx.de>
  *  Brad Huntting <huntting@glarp.com>
  *  Chao Shin <quakelee@cn.FreeBSD.org>
  *  Cheng-Lung Sung <clsung@FreeBSD.org>
  *  Chia-Hsing Yu <me@davidyu.org>
  *  Chris Rees <utisoft@gmail.com>
  *  David Naylor <dbn@FreeBSD.org>
  *  Dmitry Sivachenko <demon@FreeBSD.org>
  *  Ed Schouten <ed@FreeBSD.org>
  *  Eric Freeman <freebsdports@chillibear.com>
  *  Erik B Knudsen
  *  Fernan Aguero <fernan@iib.unsam.edu.ar>
  *  Frederic Culot <frederic@culot.org>
  *  Gea-Suan Lin <gslin@gslin.org>
  *  Glenn Johnson
  *  Greg Lewis <glewis@FreeBSD.org>
  *  Igor Serikov <iserikov@acm.org>
  *  Johannes Dieterich <dieterich@ogolem.org>
  *  Johannes Dieterich <jmd@FreeBSD.org>
  *  Johannes M Dieterich <jmd@FreeBSD.org>
  *  Johannes Meixner <johannes@perceivon.net>
  *  Ju Pengfei <jupengfei@gmail.com>
  *  Kay Lehmann <kay_lehmann@web.de>
  *  Klaus Aehlig <aehlig@linta.de>
  *  Kurt Kanzenbach <kurt@kmk-computers.de>
  *  Leland Wang <llwang@infor.org>
  *  Li-Lun Wang <llwang@infor.org>
  *  Markus Brueffer <markus@FreeBSD.org>
  *  NAKATA Maho <maho@FreeBSD.org>
  *  NAKATA, Maho <maho@FreeBSD.org>
  *  Nakata Maho <chat95@mbox.kyoto-inet.or.jp>
  *  Nakata Maho <maho@FreeBSD.org>
  *  Pav Lucistnik <pav@FreeBSD.org>
  *  Pav Lucistnik <pav@oook.cz>
  *  Pedro F. Giffuni
  *  Pedro F. Giffuni <giffunip@tutopia.com>
  *  Pedro Giffuni
  *  Pedro Giffuni <giffunip@asme.org>
  *  Po-Chuan Hsieh <sunpoet@FreeBSD.org>
  *  Rong-En Fan <rafan@FreeBSD.org>
  *  Ryo MIYAMOTO <rmiya@cc.hirosaki-u.ac.jp>
  *  Seamus Venasse <svenasse@polaris.ca>
  *  Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
  *  Shin-ya MURAKAMI <murashin@gfd-dennou.org>
  *  Shin-ya Murakami <murashin@gfd-dennou.org>
  *  Stas Timokhin <devel@stasyan.com>
  *  Stephen Montgomery-Smith <stephen@math.missouri.edu>
  *  Steve Wills <steve@mouf.net
  *  Steve Wills <steve@mouf.net>
  *  Sunpoet Po-Chuan Hsieh <sunpoet@FreeBSD.org>
  *  Sunpoet Po-Chuan Hsieh <sunpoet@sunpoet.net>
  *  TAKATSU Tomonari <tota@FreeBSD.org>
  *  TAOKA Fumiyoshi
  *  Thierry Thomas <thierry@pompo.net>
  *  Tim Cas <ports@stdrand.com>
  *  Uffe Jakobsen <uffe@uffe.org>
  *  Veniamin Gvozdikov <vg@FreeBSD.org>
  *  Vsevolod Stakhov <vsevolod@highsecure.ru>
  *  Wen Heping <wen@FreeBSD.org>
  *  Wen Heping <wenheping@gmail.com>
  *  Wen heping <wenheping@gmail.com>
  *  Ying-Chieh Liao <ijliao@FreeBSD.org>
  *  Yuri Victorovich <yuri@rawbw.com>
  *  anholt@FreeBSD.org
  *  bacon@smithers.neuro.mcw.edu
  *  batman <batman@udel.edu>
  *  db
  *  gurkan@phys.ethz.ch
  *  ijliao
  *  jbacon
  *  maintainer.freebsd@xpoundit.com
  *  mi
  *  rafan@infor.org
  *  shurd@FreeBSD.org
  *  thierry@pompo.net
  *  will

With hat:	portmgr
 2022-07-20 16:22:51 +02:00
Yuri Victorovich
75adb635f9 science/gromacs: Change WWW to https 2022-07-06 23:45:25 -07:00
Yuri Victorovich
1508a7e985 science/gromacs: Update 2022.1 -> 2022.2 
Reported by:	portscout
 2022-06-17 10:05:29 -07:00
Loïc Bartoletti
2d34c2bfea devel/cmake: Update to 3.23.0 
Update to 3.23.0.
Fix pkg-plist: using the default share/man location

Release Notes:
  https://cmake.org/cmake/help/v3.23/release/3.23.html

PR:		262886
Exp-run by:	antoine
 2022-05-16 08:49:43 +02:00
Yuri Victorovich
ffecb99422 science/gromacs: Update 2021.5 -> 2022.1 
Reported by:	portscout
 2022-04-27 20:39:22 -07:00
Charlie Li
d63665f7cd textproc/libxml2: bump all LIB_DEPENDS consumers 
This is a separate commit to facilitate easier cherry-picking for
quarterly.

PR: 262853, 262940, 262877, 263126
Approved by: fluffy (mentor)
 2022-04-10 15:11:41 -04:00
Matthias Fechner
247c7db751 textproc/libxml2: bump all dependencies 
This should make sure that all dependent ports will pick
up the new version commited with a13ec21cd7
 2022-03-26 09:27:27 +01:00
Yuri Victorovich
72fdfab1e5 science/gromacs: Update 2021.4 -> 2021.5 
Reported by:	portscout
 2022-01-15 14:50:02 -08:00
Yuri Victorovich
9eea534260 science/gromacs: Update 2021.3 -> 2021.4 
Reported by:	portscout
 2021-11-08 01:05:21 -08:00
Yuri Victorovich
f1a67e3563 science/gromacs: Update 2021.2 -> 2021.3 
Reported by:	portscout
 2021-08-19 11:04:44 -07:00
Yuri Victorovich
d9c82e0c95 science/gromacs: Update 2021.1 -> 2021.2 
Reported by:	portscout
 2021-05-06 20:44:01 -07:00
Tobias Kortkamp
ffbc3bd937 Clean up some things 
- Remove duplicate variables
- Remove nop variables
- Sort categories
- Remove redundant option descriptions that match the default ones

Reported by:	portscan
 2021-04-15 10:31:56 +02:00
Mathieu Arnold
305f148f48 Remove # $FreeBSD$ from Makefiles. 2021-04-06 16:31:07 +02:00
Yuri Victorovich
1cdf27a251 science/gromacs: Update 2021 -> 2021.1 2021-03-09 05:11:28 +00:00
Yuri Victorovich
68696365f0 science/gromacs: Update 2020.5 -> 2021 2021-02-18 20:43:09 +00:00
Yuri Victorovich
7aac519091 science/gromacs: Update 2020.4 -> 2020.5 
Reported by:	portscout
 2021-01-09 10:33:49 +00:00
Jason W. Bacon
858d1dcc69 science/gromacs: Upgrade hwloc dep to hwloc2 
hwloc2 conflicts with hwloc, so updating all dependents ASAP.

PR:             252526
Submitted by:   jwb
Approved by:    yuri
 2021-01-08 20:44:02 +00:00
Yuri Victorovich
727dabbc94 science/gromacs: Turn the option FLOAT to OFF by default 
This is because FLOAT=ON reduces fp accuracy, this probably shouldn't be the default.
Also because its only user in the ports tree, science/votca, needs double fp precision.
 2020-12-18 05:40:05 +00:00
Yuri Victorovich
28e07230d3 science/gromacs: Add the LEGACY option that installs legacy API needed by some users 2020-12-18 01:21:01 +00:00
Yuri Victorovich
69e3dd17ea science/gromacs: Update 2020.3 -> 2020.4 
Reported by:	portscout
 2020-10-12 00:52:42 +00:00
Yuri Victorovich
bca69df3b7 science/gromacs: Update 2020.2 -> 2020.3 
Reported by:	portscout
 2020-07-16 06:32:45 +00:00
Yuri Victorovich
9c174c9a3e science/gromacs: Fix plist when MPI=on 2020-05-05 01:20:18 +00:00
Yuri Victorovich
3f569ef8aa science/gromacs: Update 2020.1 -> 2020.2 
Reported by:	portscout
 2020-05-01 06:27:58 +00:00
Danilo Egea Gondolfo
794fcc74bd - Update net/openmpi to 4.0.3 (openmpi 1 is deprecated) 
- Remove option for net/openmpi2 from science/pnetcdf (net/openmpi2 is deprecated and will be removed)
- Fix science/gromacs plist when MPI option is enabled
- Bump PORTREVISION for all the consumers of net/openmpi
 2020-04-19 09:49:02 +00:00
Rene Ladan
3c6fba3a38 Clean up ports after FreeBSD 12.0 reached end-of-life. 
emulators/mesen is left out for now, as it breaks on 11.3

Submitted by:	rene
Reviewed by:	jbeich, zeising
X-Differential Revision:	https://reviews.freebsd.org/D24211
 2020-03-31 16:15:16 +00:00
Jan Beich
e1d56a9db2 Drop dependency on devel/openmp 
- Drop if devel/llvm* was used as a substitute

Approved by:	yuri, rene (earlier version)
Differential Revision:	https://reviews.freebsd.org/D23020
 2020-03-08 21:56:36 +00:00
Yuri Victorovich
778c591da6 science/gromacs: Update 2020 -> 2020.1 
Reported by:	portscout
 2020-03-04 15:53:04 +00:00
Antoine Brodin
f6c8bff9a8 Don't both set compiler + USES=compiler 2020-02-05 17:35:05 +00:00
Yuri Victorovich
21e9da30ad science/gromacs: Fix build on systems with older clang (clang-6) 
Reported by:	fallout
 2020-02-05 15:52:41 +00:00
Steve Wills
fb44dca45d Fix math/openblas and bump dependent ports 
* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]

This is correcting issues from r523749 [1][2][4] and r515970 [3]

PR:		231371
Reported by:	build cluster [1]
Reported by:	Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by:	many [5]
Reviewed by:	mat, bapt
Approved by:	implicit, since this is a build fix
 2020-01-30 14:17:44 +00:00
Yuri Victorovich
f3ef29a14e science/gromacs: Change compiler requirement to c++14 along the flags that the project supplies. 
Reported by:	fallout
 2020-01-30 09:49:49 +00:00