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Port details
qmcpack Many-body ab initio Quantum Monte Carlo code for quantum chemstry
3.8.0_4 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 3.8.0Version 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: 2020-01-30 14:17:44
SVN Revision: 524642
License: BSD3CLAUSE
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (8 items)
  1. bin/convert4qmc
  2. bin/qmc-check-affinity
  3. bin/qmc-extract-eshdf-kvectors
  4. bin/qmc-get-supercell
  5. bin/qmcpack
  6. /usr/local/share/licenses/qmcpack-3.8.0_4/catalog.mk
  7. /usr/local/share/licenses/qmcpack-3.8.0_4/LICENSE
  8. /usr/local/share/licenses/qmcpack-3.8.0_4/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: pkg install qmcpack
PKGNAME: qmcpack
Flavors: there is no flavor information for this port.
distinfo:

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake
  2. gfortran9 : lang/gcc9
  3. pkgconf>=1.3.0_1 : devel/pkgconf
  4. python3.7 : lang/python37
  5. as : devel/binutils
Runtime dependencies:
  1. gfortran9 : lang/gcc9
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. libomp.so : devel/openmp
  6. libopenblas.so : math/openblas
  7. libsz.so : science/szip
  8. libxml2.so : textproc/libxml2
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://codeload.github.com/QMCPACK/qmcpack/tar.gz/v3.8.0?dummy=/

Number of commits found: 21

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
30 Jan 2020 14:17:44
Original commit files touched by this commit  3.8.0_4
Revision:524642
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  3.8.0_3
Revision:519824
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  3.8.0_2
Revision:512535
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  3.8.0_1
Revision:509290
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  3.8.0
Revision:507698
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  3.7.0_4
Revision:507372
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  3.7.0_3
Revision:501030
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  3.7.0_2
Revision:499638
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  3.7.0_1
Revision:498698
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  3.7.0
Revision:497346
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  3.6.0_1
Revision:489412
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  3.6.0
Revision:488341
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  3.6.0
Revision:487940
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  3.5.0_4
Revision:487272
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  3.5.0_3
Revision:487266
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  3.5.0_2
Revision:483807
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  3.5.0_2
Revision:480395
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  3.5.0_1
Revision:479046
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  3.5.0
Revision:477921
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  3.5.0
Revision:477635
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  3.5.0
Revision:477634
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: 21

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