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Port details
qmcpack Many-body ab initio Quantum Monte Carlo code for quantum chemistry
3.14.0_3 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 3.13.0_3Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-08-20 07:45:08
Last Update: 2022-06-16 15:13:01
Commit Hash: 328ae40
License: BSD3CLAUSE
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (21 items)
Collapse this list.
  1. bin/convert4qmc
  2. bin/convertpw4qmc
  3. bin/gpaw4qmcpack.py
  4. bin/ppconvert
  5. bin/qmc-check-affinity
  6. bin/qmc-extract-eshdf-kvectors
  7. bin/qmc-get-supercell
  8. bin/qmcfinitesize
  9. bin/qmcpack
  10. bin/qmcpack.settings
  11. bin/eshdf
  12. bin/nxs-redo
  13. bin/nxs-sim
  14. bin/nxs-test
  15. bin/qdens
  16. bin/qdens-radial
  17. bin/qmc-fit
  18. bin/qmca
  19. /usr/local/share/licenses/qmcpack-3.14.0_3/catalog.mk
  20. /usr/local/share/licenses/qmcpack-3.14.0_3/LICENSE
  21. /usr/local/share/licenses/qmcpack-3.14.0_3/BSD3CLAUSE
Collapse this list.
Dependency lines:
  • qmcpack>0:science/qmcpack
To install the port:
cd /usr/ports/science/qmcpack/ && make install clean
To add the package, run one of these commands:
  • pkg install science/qmcpack
  • pkg install qmcpack
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: qmcpack
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
qmcpack
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd643.11.03.11.0
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-3.13.0_3
FreeBSD:12:amd643.14.0_33.13.0_3
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch643.14.0_33.13.0_3
FreeBSD:13:amd643.14.0_33.13.0_3
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch643.14.0_3-
FreeBSD:14:amd643.14.0_3-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc643.10.0-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py38-numpy>=1.16,1<1.23,1 : math/py-numpy@py38
  2. py38-h5py>0 : science/py-h5py@py38
  3. py38-pandas>0 : math/py-pandas@py38
  4. py38-pyscf>0 : science/py-pyscf@py38
  5. cmake : devel/cmake
  6. gfortran10 : lang/gcc10
  7. pkgconf>=1.3.0_1 : devel/pkgconf
  8. python3.8 : lang/python38
  9. as : devel/binutils
Runtime dependencies:
  1. py38-numpy>=1.16,1<1.23,1 : math/py-numpy@py38
  2. py38-h5py>0 : science/py-h5py@py38
  3. py38-pandas>0 : math/py-pandas@py38
  4. py38-pyscf>0 : science/py-pyscf@py38
  5. gfortran10 : lang/gcc10
  6. python3.8 : lang/python38
Library dependencies:
  1. libboost_system.so : devel/boost-libs
  2. libfftw3.so : math/fftw3
  3. libhdf5.so : science/hdf5
  4. libmpich.so : net/mpich
  5. libopenblas.so : math/openblas
  6. libsz.so : science/libaec
  7. libxml2.so : textproc/libxml2
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/QMCPACK/qmcpack/tar.gz/v3.14.0?dummy=/
Collapse this list.

Number of commits found: 40

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
16 Jun 2022 15:13:01
 files touched by this commit commit hash:328ae4074233a5b85e0e38efece1af5dcc218160  3.14.0_3
Po-Chuan Hsieh (sunpoet) search for other commits by this committer
*/*: Replace science/szip with science/libaec

- Bump PORTREVISION of dependent ports for dependency change

szip does not allow redistribution in binary form without proper commercial
license. Its LICENSE_PERMS should be set to no-auto-accept which blocks building
this port, therefore building dependent ports are also blocked. Switch all
dependent ports to science/libaec to avoid conflicts and license issue.

PR:		228743, 246097, 250165
22 May 2022 20:17:16
 files touched by this commit commit hash:b082b3d13e8c4872b73fb681eb99b261926ac9cd  3.14.0_2
Dima Panov (fluffy) search for other commits by this committer
devel/boost-all: bump all library consumers after boost upgrade

PR:	246106
10 Apr 2022 19:11:41
 files touched by this commit commit hash:d63665f7cd9c99880704a3c5bc221829cb009744  3.14.0_1
Charlie Li (vishwin) search for other commits by this committer
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)
07 Apr 2022 20:19:04
 files touched by this commit commit hash:0c60995262fbe9f134d69f1990919c07f0a8382e  3.14.0
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Update 3.13.0 -> 3.14.0

Reported by:	portscout
26 Mar 2022 08:27:27
 files touched by this commit commit hash:247c7db7513f1264922428278678da641c5a3f52  3.13.0_2
Matthias Fechner (mfechner) search for other commits by this committer
textproc/libxml2: bump all dependencies

This should make sure that all dependent ports will pick
up the new version commited with a13ec21cd733f67a9fc0dc00ab45268bdc236246
27 Feb 2022 23:09:21
 files touched by this commit commit hash:06212b20e7244e58cf9a40631399a6f177b6baaa  3.13.0_1
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Correct python dependency; Fix tests.
27 Feb 2022 18:35:42
 files touched by this commit commit hash:e91b1159bdedd260016b2571e5cf35019575516d  3.13.0
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Update 3.12.0-244 -> 3.13.0

Reported by:	portscout
17 Jan 2022 13:20:25
 files touched by this commit commit hash:dfd0e4d833e7c94e10af3c7614cbc20a4d3074a7  3.12.0.244
Tobias Kortkamp (tobik) search for other commits by this committer
*: Clean up some things

- Fix typos
- Fix overwritten variables

Reported by:	portscan
13 Jan 2022 05:55:58
 files touched by this commit commit hash:32ef6a3133758a32aa8c1cc7992d045c7345092e  3.12.0.244
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Small corrections

* project uses c++17, not c++11
* project doesn't use devel/catch any more
13 Jan 2022 04:40:22
 files touched by this commit commit hash:562a8eaddf08cc13fcb3e5255eecef21015c2cff  3.12.0.244
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Update 3.12.0-217 -> 3.12.0-244

Add the NEXUS option that installs the Nexus utility used to
orchestrate qmcpack workflow.
08 Jan 2022 00:22:51
 files touched by this commit commit hash:ce158a934f248baac70c1c1a83b0a03d1f589a7a  3.12.0.217
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Update 3.11.0 -> 3.12.0-217

Also add the 'test' target.
19 Apr 2021 06:39:23
 files touched by this commit commit hash:f6b0ff47662731cbfcfd1636911ad5a755b1728b  3.11.0
Yuri Victorovich (yuri) search for other commits by this committer
science/qmcpack: Update 3.10.0 -> 3.11.0

Reported by:	portscout
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  3.10.0
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  3.10.0
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
22 Mar 2021 10:17:44
Original commit files touched by this commit Revision:568947  3.10.0
danfe search for other commits by this committer
Fix spelling mistakes, typos, poor wording, hyphenation, jargonisms,
contractions, "<portname> is ..." cases, missing Oxford commas, and
other miscellaneous style bugs in the COMMENT line.
13 Nov 2020 05:10:06
Original commit files touched by this commit Revision:555002  3.10.0
yuri search for other commits by this committer
science/qmcpack: Update 3.9.2 -> 3.10.0

Reported by:	portscout
06 May 2020 16:11:15
Original commit files touched by this commit Revision:534185  3.9.2_1
yuri search for other commits by this committer
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas.
01 May 2020 01:41:34
Original commit files touched by this commit Revision:533485  3.9.2
yuri search for other commits by this committer
science/qmcpack: Update 3.8.0 -> 3.9.2

Reported by:	portscout
08 Mar 2020 21:56:37
Original commit files touched by this commit Revision:528082  3.8.0_5
jbeich search for other commits by this committer
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
30 Jan 2020 14:17:44
Original commit files touched by this commit Revision:524642  3.8.0_4
swills search for other commits by this committer
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
11 Dec 2019 17:53:49
Original commit files touched by this commit Revision:519824  3.8.0_3
jbeich search for other commits by this committer
devel/boost-*: update to 1.72.0

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
21 Sep 2019 18:59:57
Original commit files touched by this commit Revision:512535  3.8.0_2
jbeich search for other commits by this committer
devel/openmp: update to 9.0.0

- 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/
19 Aug 2019 15:35:28
Original commit files touched by this commit Revision:509290  3.8.0_1
jbeich search for other commits by this committer
devel/boost-*: update to 1.71.0

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
31 Jul 2019 06:09:39
Original commit files touched by this commit Revision:507698  3.8.0
yuri search for other commits by this committer
science/qmcpack: Update 3.7.0 -> 3.8.0

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  3.7.0_4
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
08 May 2019 16:05:53
Original commit files touched by this commit Revision:501030  3.7.0_3
jbeich search for other commits by this committer
devel/openmp: phase out

- 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
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  3.7.0_2
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
12 Apr 2019 06:36:31
Original commit files touched by this commit Revision:498698  3.7.0_1
jbeich search for other commits by this committer
devel/boost-*: update to 1.70.0

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
30 Mar 2019 20:26:02
Original commit files touched by this commit Revision:497346  3.7.0
yuri search for other commits by this committer
science/qmcpack: Update 3.6.0 -> 3.7.0

Reported by:	portscout
05 Jan 2019 22:46:54
Original commit files touched by this commit Revision:489412  3.6.0_1
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.4

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.4#releasenotes
PR:		233070
Submitted by:	wen
25 Dec 2018 20:25:40
Original commit files touched by this commit Revision:488341  3.6.0
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

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
21 Dec 2018 02:14:45
Original commit files touched by this commit Revision:487940  3.6.0
yuri search for other commits by this committer
science/qmcpack: Update 3.5.0 -> 3.6.0

Reported by:	portscout
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  3.5.0_4
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
12 Dec 2018 00:15:50
Original commit files touched by this commit Revision:487266  3.5.0_3
jbeich search for other commits by this committer
devel/boost-*: update to 1.69.0

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
02 Nov 2018 13:32:35
Original commit files touched by this commit Revision:483807  3.5.0_2
rene search for other commits by this committer
Remove compatibility code for FreeBSD < 11.2 from all ports.

Simplify some ports where DragonFlyBSD no longer needs to be special-cased.
Submitted by:	rene
Reviewed by:	bapt, jbeich
Differential Revision:	https://reviews.freebsd.org/D17724
22 Sep 2018 16:36:38
Original commit files touched by this commit Revision:480395  3.5.0_2
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

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
05 Sep 2018 22:05:23
Original commit files touched by this commit Revision:479046  3.5.0_1
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.2

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.2#releasenotes
		https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.2/src/hdf5-1.10.2-RELEASE.txt
PR:		231009
Exp-run by:	antoine
23 Aug 2018 18:17:25
Original commit files touched by this commit Revision:477921  3.5.0
yuri search for other commits by this committer
science/qmcpack: BROKEN on i386
20 Aug 2018 07:57:26
Original commit files touched by this commit Revision:477635  3.5.0
yuri search for other commits by this committer
science/qmcpack: Broken on 10
20 Aug 2018 07:44:54
Original commit files touched by this commit Revision:477634  3.5.0
yuri search for other commits by this committer
New port: science/qmcpack: Many-body ab initio Quantum Monte Carlo code for
quantum chemstry

Number of commits found: 40