aboutsummaryrefslogtreecommitdiff
path: root/science/gromacs
Commit message (Collapse)AuthorAgeFilesLines
* Remove # $FreeBSD$ from Makefiles.Mathieu Arnold2021-04-061-1/+0
|
* science/gromacs: Update 2021 -> 2021.1Yuri Victorovich2021-03-092-4/+4
| | | | Notes: svn path=/head/; revision=567890
* science/gromacs: Update 2020.5 -> 2021Yuri Victorovich2021-02-183-8/+36
| | | | Notes: svn path=/head/; revision=565980
* science/gromacs: Update 2020.4 -> 2020.5Yuri Victorovich2021-01-092-6/+5
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=560845
* science/gromacs: Upgrade hwloc dep to hwloc2Jason W. Bacon2021-01-081-1/+1
| | | | | | | | | | | hwloc2 conflicts with hwloc, so updating all dependents ASAP. PR: 252526 Submitted by: jwb Approved by: yuri Notes: svn path=/head/; revision=560810
* science/gromacs: Turn the option FLOAT to OFF by defaultYuri Victorovich2020-12-182-5/+5
| | | | | | | | 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. Notes: svn path=/head/; revision=558350
* science/gromacs: Add the LEGACY option that installs legacy API needed by ↵Yuri Victorovich2020-12-182-2/+84
| | | | | | | some users Notes: svn path=/head/; revision=558341
* science/gromacs: Update 2020.3 -> 2020.4Yuri Victorovich2020-10-123-9/+9
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=552085
* science/gromacs: Update 2020.2 -> 2020.3Yuri Victorovich2020-07-162-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=542327
* science/gromacs: Fix plist when MPI=onYuri Victorovich2020-05-051-3/+3
| | | | Notes: svn path=/head/; revision=534005
* science/gromacs: Update 2020.1 -> 2020.2Yuri Victorovich2020-05-012-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=533514
* - Update net/openmpi to 4.0.3 (openmpi 1 is deprecated)Danilo Egea Gondolfo2020-04-192-9/+9
| | | | | | | | | - 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 Notes: svn path=/head/; revision=532095
* Clean up ports after FreeBSD 12.0 reached end-of-life.Rene Ladan2020-03-311-8/+2
| | | | | | | | | | | 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 Notes: svn path=/head/; revision=529986
* Drop dependency on devel/openmpJan Beich2020-03-081-1/+1
| | | | | | | | | | - Drop if devel/llvm* was used as a substitute Approved by: yuri, rene (earlier version) Differential Revision: https://reviews.freebsd.org/D23020 Notes: svn path=/head/; revision=528082
* science/gromacs: Update 2020 -> 2020.1Yuri Victorovich2020-03-043-5/+105
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=527766
* Don't both set compiler + USES=compilerAntoine Brodin2020-02-051-1/+0
| | | | Notes: svn path=/head/; revision=525285
* science/gromacs: Fix build on systems with older clang (clang-6)Yuri Victorovich2020-02-051-1/+7
| | | | | | | Reported by: fallout Notes: svn path=/head/; revision=525280
* Fix math/openblas and bump dependent portsSteve Wills2020-01-301-0/+1
| | | | | | | | | | | | | | | | | | | | * 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 Notes: svn path=/head/; revision=524642
* science/gromacs: Change compiler requirement to c++14 along the flags that ↵Yuri Victorovich2020-01-301-1/+1
| | | | | | | | | the project supplies. Reported by: fallout Notes: svn path=/head/; revision=524639
* science/gromacs: Update 2019.5 -> 2020Yuri Victorovich2020-01-123-244/+29
| | | | | | | Reported by: repology Notes: svn path=/head/; revision=522739
* science/gromacs: Update 2019.4 -> 2019.5Yuri Victorovich2019-12-242-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=520781
* devel/boost-*: update to 1.72.0Jan Beich2019-12-111-0/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_72_0.html PR: 241449 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D22136 Notes: svn path=/head/; revision=519824
* science/gromacs: Update 2019.3 -> 2019.4Yuri Victorovich2019-10-052-6/+5
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=513855
* devel/openmp: update to 9.0.0Jan Beich2019-09-211-1/+1
| | | | | | | | | | | - Connect tests to the framework to help QA remaining patches - Force rebuild all consumers after https://reviews.llvm.org/D59783 Changes: http://llvm.org/viewvc/llvm-project/openmp/tags/RELEASE_900/final/?view=log ABI: https://abi-laboratory.pro/tracker/timeline/llvm_openmp/ Notes: svn path=/head/; revision=512535
* devel/boost-*: update to 1.71.0Jan Beich2019-08-191-1/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_71_0.html PR: 238827 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D20774 Notes: svn path=/head/; revision=509290
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2019-07-261-0/+1
| | | | | | | | | | | | | | | | | | as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3 to GCC 9.1 under most circumstances now after revision 507371. This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang, c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib plus, everything INDEX-11 shows with a dependency on lang/gcc9 now. PR: 238330 Notes: svn path=/head/; revision=507372
* science/gromacs: Update 2019.2 -> 2019.3Yuri Victorovich2019-06-152-5/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=504264
* devel/openmp: phase outJan Beich2019-05-081-1/+1
| | | | | | | | | | | | - Expire after the last version without /usr/lib/libomp.so - Drop SOVERSION for seamless transition (i.e., avoid conditionals) PR: 236907 Approved by: bapt (maintainer) Differential Revision: https://reviews.freebsd.org/D19767 Notes: svn path=/head/; revision=501030
* science/gromacs: Broken on i386Yuri Victorovich2019-04-281-0/+2
| | | | | | | Reported by: fallout Notes: svn path=/head/; revision=500294
* Related to revision 499061 bump ports with USES=fortran to have themGerald Pfeifer2019-04-221-0/+1
| | | | | | | | | | benefit from the improved situation where libgcc_s is only used when absolutely necessary. Suggested by: tijl Notes: svn path=/head/; revision=499638
* science/gromacs: Update 2019.1 -> 2019.2Yuri Victorovich2019-04-202-5/+5
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=499453
* devel/boost-*: update to 1.70.0Jan Beich2019-04-121-0/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_70_0.html PR: 235956 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D19303 Notes: svn path=/head/; revision=498698
* science/gromacs: Update 2019 -> 2019.1Yuri Victorovich2019-02-172-4/+4
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=493145
* science/gromacs: Update 2018.4 -> 2019Yuri Victorovich2019-01-223-18/+17
| | | | | | | Reported by: repology Notes: svn path=/head/; revision=490922
* Change cmake default behaviour to outsource.Tobias C. Berner2018-12-251-1/+1
| | | | | | | | | | | | | | Ports that build out of source now simply can use "USES=cmake" instead of "USES=cmake:outsource". Ports that fail to build out of source now need to specify "USES=cmake:insource". I tried to only set insource where explictely needed. PR: 232038 Exp-run by: antoine Notes: svn path=/head/; revision=488341
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2018-12-121-1/+1
| | | | | | | | | | | | | | | | | | defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t GCC 8.2 under most circumstances. This includes ports - with USE_GCC=yes or USE_GCC=any, - with USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang, c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib plus, as a double check, everything INDEX-11 showed depending on lang/gcc7. PR: 231590 Notes: svn path=/head/; revision=487272
* devel/boost-*: update to 1.69.0Jan Beich2018-12-121-0/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_69_0.html PR: 232525 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D17645 Notes: svn path=/head/; revision=487266
* science/gromacs: Update 2018.3 -> 2018.4Yuri Victorovich2018-11-153-7/+6
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=484990
* Add compiler:c++11-lang to USES to fix build on gcc-based archs.Mark Linimon2018-11-051-1/+1
| | | | | | | Approved by: portmgr (tier-2 blanket) Notes: svn path=/head/; revision=484261
* Change 20 ports from net/mpich2 to net/mpichYuri Victorovich2018-09-221-4/+6
| | | | | | | | | | | | | mpich2 is the obsolete version 2.x, mpich is at the current version 3.x Ports: math/scalapack science/nwchem science/quantum-espresso science/qmcpack science/madness science/qbox science/openmx science/jdftx science/fleur science/libgridxc science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich Notes: svn path=/head/; revision=480395
* science/gromacs: Update 2018.2 -> 2018.3Yuri Victorovich2018-08-243-7/+6
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=477971
* devel/boost-*: update to 1.68.0Jan Beich2018-08-091-1/+1
| | | | | | | | | | | | - Switch to C++14 for libboost_system to support C++14 consumers Changes: http://www.boost.org/users/history/version_1_68_0.html PR: 229569 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D16165 Notes: svn path=/head/; revision=476723
* Bump PORTREVISION for ports depending on the canonical version of GCCGerald Pfeifer2018-07-291-1/+1
| | | | | | | | | | | | | | | | | in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which has now moved from GCC 6 to GCC 7 by default. This includes ports - featuring USE_GCC=yes or USE_GCC=any, - featuring USES=fortran, - using Mk/bsd.octave.mk which in turn features USES=fortran, and those - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x, c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib. PR: 222542 Notes: svn path=/head/; revision=475857
* science/gromacs: Chase the changed tarballYuri Victorovich2018-06-162-3/+4
| | | | | | | | | The upstream "rerelased" 2018.2, so updating the port. Reported by: fallout Notes: svn path=/head/; revision=472566
* science/gromacs: Update 2018.1 -> 2018.2Yuri Victorovich2018-06-143-10/+10
| | | | | | | Reported by: portscout Notes: svn path=/head/; revision=472367
* science/gromacs: Update 5.0.6 -> 2018.1Yuri Victorovich2018-04-193-407/+127
| | | | | | | | | | | | Port changes: * Take maintainership. * Modernize the port, now using option helpers. * Add the OPENCL option. * Add the THREAD_MPI option that is now the default multiprocessing option. * Add missing dependencies. Notes: svn path=/head/; revision=467753
* devel/boost-*: update to 1.67.0Jan Beich2018-04-181-1/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_67_0.html PR: 227427 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D15030 Notes: svn path=/head/; revision=467711
* Bump PORTREVISIONs of all users of math/mpc that we just updated toGerald Pfeifer2018-03-101-1/+1
| | | | | | | version 1.1.0 (via revision 464079). Notes: svn path=/head/; revision=464084
* devel/boost-*: update to 1.66.0Jan Beich2018-01-181-1/+1
| | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_66_0.html PR: 223922 Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D13279 Notes: svn path=/head/; revision=459315
* devel/boost-*: update to 1.65.1Jan Beich2017-09-251-1/+1
| | | | | | | | | | | | Changes: http://www.boost.org/users/history/version_1_65_1.html PR: 218835 Approved by: maintainer timeout (1.65.1: 2 weeks; 1.65.0: 1 month) Tested by: jhibbits (on powerpc64, earlier version) Exp-run by: antoine Differential Revision: https://reviews.freebsd.org/D11582 Notes: svn path=/head/; revision=450560
generated by cgit v1.2.3 (git 2.25.1) at 2024-06-04 15:34:24 +0000