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Port details
erkale Quantum chemistry program to solve the electronic structure of atoms
g20200426_5 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 g20200426_5Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-10-21 17:56:26
Last Update: 2020-10-29 22:30:44
SVN Revision: 553653
License: GPLv2
Description:
SVNWeb : Homepage

There is no configure plist information for this port.

Dependency lines:
  • erkale>0:science/erkale
To install the port: cd /usr/ports/science/erkale/ && make install clean
To add the package: pkg install erkale
PKGNAME: erkale
Package flavors (<flavor>: <package>)
  • parallel: erkale
  • serial: erkale-serial
distinfo:
Packages: (move your mouse over the cells for more information)
erkale
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd64g20200426_5g20200426_5
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-g20200426_5
FreeBSD:12:amd64g20200426_5g20200426_5
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-g20200426_5
FreeBSD:13:aarch64g20200426_5g20200426_5
FreeBSD:13:amd64g20200426_5g20200426_5
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64-g20200426_5
FreeBSD:14:aarch64g20200426_5-
FreeBSD:14:amd64g20200426_5-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64g20200426_5-
 
erkale-serial
ABIlatestquarterly
FreeBSD:11:aarch64-g20200426_3
FreeBSD:11:amd64g20200426_5g20200426_5
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-g20200426_5
FreeBSD:12:amd64g20200426_5g20200426_5
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-g20200426_5
FreeBSD:13:aarch64g20200426_5g20200426_5
FreeBSD:13:amd64g20200426_5g20200426_5
FreeBSD:13:armv6--
FreeBSD:13:armv7-g20200426_5
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64-g20200426_5
FreeBSD:14:aarch64g20200426_5-
FreeBSD:14:amd64g20200426_5-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64g20200426_5-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. armadillo>0 : math/armadillo
  2. cmake : devel/cmake
  3. gfortran9 : lang/gcc9
  4. pkgconf>=1.3.0_1 : devel/pkgconf
  5. as : devel/binutils
Runtime dependencies:
  1. 6-21G.gbs : science/erkale-pseudopotentials
  2. gfortran9 : lang/gcc9
Library dependencies:
  1. libderiv.so : science/libint
  2. libgsl.so : math/gsl
  3. libhdf5.so : science/hdf5
  4. libint.so : science/libint
  5. libsz.so : science/szip
  6. libxc.so : science/libxc
  7. libopenblas.so : math/openblas
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/susilehtola/erkale/tar.gz/870e772f09631b3dbdd99a18e4f3d4786d684a01?dummy=/
Collapse this list.

Number of commits found: 40

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
29 Oct 2020 22:30:44
Original commit files touched by this commit  g20200426_5
Revision:553653
danilo search for other commits by this committer
math/armadillo: Update to 10.1.1
10 Aug 2020 13:12:01
Original commit files touched by this commit  g20200426_4
Revision:544615
danilo search for other commits by this committer
- Update math/armadillo to 9.900.2
06 May 2020 21:19:23
Original commit files touched by this commit  g20200426_3
Revision:534203
danilo search for other commits by this committer
- Update math/armadillo to 9.870.2
06 May 2020 16:43:08
Original commit files touched by this commit  g20200426_2
Revision:534192
yuri search for other commits by this committer
science/erkale: Change the default flavor to 'parallel'; Remove the redundant
OPENBLAS_LIB_DEPENDS line

parallel is what should be a default for production use.

Approved by:	portmgr (flavors were approved by portmgr when the port was
committed)
06 May 2020 16:39:12
Original commit files touched by this commit  g20200426_2
Revision:534190
yuri search for other commits by this committer
Bump 37 ports depending on math/openblas through USES=blaslapack:openblas
because after the recent math/openblas update the library name changed in
openblas
06 May 2020 16:11:15
Original commit files touched by this commit  g20200426_1
Revision:534185
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 06:12:12
Original commit files touched by this commit  g20200426
Revision:533512
yuri search for other commits by this committer
science/erkale: Update g20200416 -> g20200426
17 Apr 2020 19:00:38
Original commit files touched by this commit  g20200416
Revision:531959
yuri search for other commits by this committer
science/erkale: Update g20200319 -> g20200416
16 Apr 2020 14:48:38
Original commit files touched by this commit  g20200319
Revision:531849
pkubaj search for other commits by this committer
science/erkale: fix build on GCC architectures

Use newer GCC:
/usr/local/include/armadillo_bits/compiler_setup.hpp:190:6: error: #error "***
newer compiler required ***"
11 Apr 2020 18:24:30
Original commit files touched by this commit  g20200319
Revision:531449
yuri search for other commits by this committer
science/erkale: Update g20200110 -> g20200319
08 Mar 2020 21:56:37
Original commit files touched by this commit  g20200110_2
Revision:528082
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  g20200110_1
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
21 Jan 2020 22:03:19
Original commit files touched by this commit  g20200110
Revision:523749
swills search for other commits by this committer
math/openblas: Update to 0.3.7

While here, improve formatting and fix build of dependant ports.

PR:		231371
Submitted by:	yuri (initial version), pkubaj (ppc fixes)
Approved by:	Eijiro Shibusawa <phd_kimberlite@yahoo.co.jp> (maintainer)
17 Jan 2020 04:29:09
Original commit files touched by this commit  g20200110
Revision:523270
yuri search for other commits by this committer
science/erkale: Update g20191120 -> g20200110
23 Nov 2019 16:27:53
Original commit files touched by this commit  g20191120
Revision:518254
yuri search for other commits by this committer
science/erkale: Update g20190812 -> g20191120
08 Nov 2019 03:28:42
Original commit files touched by this commit  g20190812_3
Revision:517025
linimon search for other commits by this committer
Unmark broken on aarch64.

Submitted by:	emaste (TRYBROKEN run)
Approved by:	portmgr (tier-2 blanket)
25 Oct 2019 23:41:34
Original commit files touched by this commit  g20190812_3
Revision:515671
tcberner search for other commits by this committer
math/gsl: update to 2.6

- math/p5-Math-GSL does not seem to have any upstream activity to make it work
with this version -> mark it broken
  - this also breaks the two consumers of this port

- biology/gemma: has a conflict with cblas, and is makred broken.

PR:		241363
Exp-run by:	antoine
13 Oct 2019 08:59:42
Original commit files touched by this commit  g20190812_2
Revision:514376
antoine search for other commits by this committer
Fix LIB_DEPENDS
21 Sep 2019 18:59:57
Original commit files touched by this commit  g20190812_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/
20 Sep 2019 19:58:36
Original commit files touched by this commit  g20190812_1
Revision:512440
jbeich search for other commits by this committer
Switch default devel/llvm* to 90

PR:		239682
Reviewed by:	tobik
Differential Revision:	https://reviews.freebsd.org/D21172
17 Aug 2019 06:19:00
Original commit files touched by this commit  g20190812
Revision:509137
yuri search for other commits by this committer
science/erkale: Fix RUN_DEPENDS

Reported by:	fallout
12 Aug 2019 09:33:40
Original commit files touched by this commit  g20190812
Revision:508717
yuri search for other commits by this committer
science/erkale: correction
12 Aug 2019 09:32:58
Original commit files touched by this commit  g20190812
Revision:508716
yuri search for other commits by this committer
science/erkale: Update g20190412 -> g20190812
26 Jul 2019 20:46:57
Original commit files touched by this commit  g20190412_3
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
17 Jul 2019 20:00:42
Original commit files touched by this commit  g20190412_2
Revision:506822
danilo search for other commits by this committer
- Update math/armadillo to 9.600.4

Reported by:	Nina Santi
22 Apr 2019 13:16:34
Original commit files touched by this commit  g20190412_1
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
13 Apr 2019 22:23:51
Original commit files touched by this commit  g20190412
Revision:498840
yuri search for other commits by this committer
science/erkale: Update g20190318 -> g20190412
29 Mar 2019 22:20:48
Original commit files touched by this commit  g20190318
Revision:497214
linimon search for other commits by this committer
Mark as broken on aarch64: fails to configure:

  clang-8: error: no such file or directory: 'NOTFOUND'

Approved by:	portmgr (tier-2 blanket)
21 Mar 2019 06:17:51
Original commit files touched by this commit  g20190318
Revision:496418
yuri search for other commits by this committer
science/erkale: Update g20190118 -> g20190318

Bug fixes and documentation update.
20 Mar 2019 12:23:26
Original commit files touched by this commit  g20190118_1
Revision:496337
jbeich search for other commits by this committer
Switch to devel/llvm80 for DEFAULT_VERSIONS

PR:		235215
16 Feb 2019 13:19:29
Original commit files touched by this commit  g20190118
Revision:493043
antoine search for other commits by this committer
Remove bogus dependency, erkale links against libomp from llvm
18 Jan 2019 16:25:44
Original commit files touched by this commit  g20190118
Revision:490641
yuri search for other commits by this committer
science/erkale: Update 0c285c1 -> 4bd3930
17 Jan 2019 09:40:24
Original commit files touched by this commit  g20190114
Revision:490535
yuri search for other commits by this committer
science/erkale: Update 0927d8c -> 0c285c1

Port changes:
* Add the standard location for erkale's pseudopotentials.
* Add pkg-message suggesting to install erkale-pseudopotentials
05 Jan 2019 22:46:54
Original commit files touched by this commit  g20181121_4
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  g20181121_3
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
22 Dec 2018 08:33:27
Original commit files touched by this commit  g20181121_3
Revision:488078
yuri search for other commits by this committer
science/erkale: BROKEN on i386

Reported by:	fallout
16 Dec 2018 09:21:04
Original commit files touched by this commit  g20181121_3
Revision:487568
yuri search for other commits by this committer
science/erkale: Please approve flavorization: serial and parallel

Allow to concurrently build and install both serial and parallel versions.

Approved by:	portmgr
Differential Revision:	D18315
12 Dec 2018 01:35:36
Original commit files touched by this commit  g20181009_2
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
11 Nov 2018 13:32:31
Original commit files touched by this commit  g20181009_1
Revision:484691
danilo search for other commits by this committer
- Update math/armadillo to 9.200.4
21 Oct 2018 17:56:11
Original commit files touched by this commit  g20181009
Revision:482718
yuri search for other commits by this committer
New port: science/erkale: Quantum chemistry program to solve the electronic
structure of atoms

Number of commits found: 40

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