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Port details
cp2k Quantum chemistry and solid state physics software package
2022.1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-04 21:28:42
Last Update: 2022-07-25 02:05:43
Commit Hash: caa6112
License: GPLv2+
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (9 items)
Collapse this list.
  1. bin/cp2k.ssmp
  2. bin/cp2k_shell.ssmp
  3. bin/dumpdcd.ssmp
  4. bin/graph.ssmp
  5. bin/grid_miniapp.ssmp
  6. bin/xyz2dcd.ssmp
  7. /usr/local/share/licenses/cp2k-2022.1/catalog.mk
  8. /usr/local/share/licenses/cp2k-2022.1/LICENSE
  9. /usr/local/share/licenses/cp2k-2022.1/GPLv2+
Collapse this list.
Dependency lines:
  • cp2k>0:science/cp2k
To install the port:
cd /usr/ports/science/cp2k/ && make install clean
To add the package, run one of these commands:
  • pkg install science/cp2k
  • pkg install cp2k
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: cp2k
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
cp2k
ABIlatestquarterly
FreeBSD:11:aarch646.1_27.1.0.20200518
FreeBSD:11:amd64--
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch646.1_29.1.0
FreeBSD:12:amd642022.19.1.0
FreeBSD:12:armv6-7.1.0.20200518
FreeBSD:12:armv7-7.1.0.20200518
FreeBSD:12:i3862022.19.1.0
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch642022.19.1.0
FreeBSD:13:amd642022.19.1.0
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i3862022.19.1.0
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc647.1.0.20200518-
FreeBSD:14:aarch642022.1-
FreeBSD:14:amd642022.1-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i3862022.1-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. fypp : devel/py-fypp@py39
  2. gfortran11 : lang/gcc11
  3. gmake>=4.3 : devel/gmake
  4. python3.9 : lang/python39
  5. as : devel/binutils
Runtime dependencies:
  1. cp2k-data>0 : science/cp2k-data
  2. gfortran11 : lang/gcc11
Library dependencies:
  1. libblas.so : math/blas
  2. libfftw3.so : math/fftw3
  3. liblapack.so : math/lapack
  4. libint.so : science/libint
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/cp2k/cp2k/tar.gz/v2022.1?dummy=/
Collapse this list.

Number of commits found: 21

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
25 Jul 2022 02:05:43
 files touched by this commit commit hash:caa6112c41b2751a8cdc408a6e07abf6e835c28c  2022.1
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k: Broken on systems where OpenMP isn't enabled

Reported by:	fallout
12 Jul 2022 04:10:08
 files touched by this commit commit hash:1ce0df780cf29c2473f038e587af3d647806f984  2022.1
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k: Update 9.1.0 -> 2022.1
24 May 2022 01:34:18
 files touched by this commit commit hash:2e76962a16fdd60ce35a4f9db7a55fd255679b78  9.1.0
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k: Update 7.1.0-20200518 -> 9.1.0
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  7.1.0.20200518
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  7.1.0.20200518
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
13 Jan 2021 23:03:31
Original commit files touched by this commit Revision:561520  7.1.0.20200518
linimon search for other commits by this committer
Update GCC_DEFAULT from 9 to 10.

A few (mostly Fortran-based) ports need to be patched because GCC 10
is stricter.  A handful of ports need to be restricted to GCC 9 because
they fail with 10.

5 ports still fail with GCC 10.  However, seeing as this work has been
ongoing since 2020-05-24, it is simply time to make the commit and
notify the affected maintainers.

While here, pet portlint (Makevar order).

PR:		246700
Submitted by:	gerald
Approved by:	antoine (after many, many, -exp runs)
20 May 2020 02:27:16
Original commit files touched by this commit Revision:535965  7.1.0.20200518
yuri search for other commits by this committer
Re-add port: science/cp2k: Quantum chemistry and solid state physics software
package; Update 6.1.0 -> 7.1.0-20200518
05 May 2020 15:38:12
Original commit files touched by this commit Revision:534093  6.1.0_7
rene search for other commits by this committer
Remove expired ports:

Adjusted for ports rescued since r534032

2020-05-05 audio/festvox-czech: Broken for more than 6 months
2020-05-05 audio/gkrellmvolume2: Broken for more than 6 months
2020-05-05 audio/mixmos: Broken for more than 6 months
2020-05-05 audio/mma: Broken for more than 6 months
2020-05-05 audio/pd-cyclone: Broken for more than 6 months
2020-05-05 audio/shorten: Broken for more than 6 months
2020-05-05 audio/taglib-sharp: Broken for more than 6 months
2020-05-05 audio/xhippo: Broken for more than 6 months
2020-05-05 biology/consed: Broken for more than 6 months
2020-05-05 biology/plinkseq: Broken for more than 6 months
2020-05-05 biology/seqtools: Broken for more than 6 months
(Only the first 15 lines of the commit message are shown above View all of this commit message)
04 Apr 2020 20:51:41
Original commit files touched by this commit Revision:530719  6.1.0_7  Sanity Test Failure
antoine search for other commits by this committer
Deprecate ports broken for more than 6 months
06 Nov 2019 16:26:35
Original commit files touched by this commit Revision:516897  6.1.0_7
antoine search for other commits by this committer
Mark a few ports BROKEN (unfetchable)
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  6.1.0_7
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
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
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  6.1.0_6
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
10 Apr 2019 04:21:15
Original commit files touched by this commit Revision:498528  6.1.0_5
yuri search for other commits by this committer
science/cp2k: fix build with GCC-based architectures

PR:		237147
Submitted by:	Piotr Kubaj <pkubaj@anongoth.pl>
06 Apr 2019 16:28:55
Original commit files touched by this commit Revision:498147  6.1.0_5
yuri search for other commits by this committer
science/cp2k: Supply the data directory needed for computation ; Change to
GitHub
26 Jan 2019 05:23:52
Original commit files touched by this commit Revision:491235  6.1_4
yuri search for other commits by this committer
science/cp2k: Remove contiguous blank lines
26 Jan 2019 05:20:14
Original commit files touched by this commit Revision:491234  6.1_4
yuri search for other commits by this committer
science/cp2k: Add missing executables that should be installed
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  6.1_3
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
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
23 Sep 2018 00:25:19
Original commit files touched by this commit Revision:480440  6.1_2
yuri search for other commits by this committer
science/cp2k: Change from net/mpich2 -> net/mpich
14 Sep 2018 07:58:05
Original commit files touched by this commit Revision:479762  6.1_1
yuri search for other commits by this committer
science/cp2k: Require the option OPENMP=on in fftw3 for options OPENMP and
OPENMP_MPI

PR:		231163
Submitted by:	jhale
06 Sep 2018 00:58:22
Original commit files touched by this commit Revision:479076  6.1_1
yuri search for other commits by this committer
science/cp2k: Add multiprocessing options MPI and OPENMP_MPI

The set of builds is defined in the project itself.
04 Sep 2018 21:28:27
Original commit files touched by this commit Revision:478991  6.1
yuri search for other commits by this committer
New port: science/cp2k: Quantum chemistry and solid state physics software
package

Number of commits found: 21