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Port details
erkale Quantum chemistry program to solve the electronic structure of atoms
g20200110_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 g20191120Version 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: 2020-01-30 14:17:44
SVN Revision: 524642
License: GPLv2
Description:
SVNWeb : Homepage

There is no configure plist information for this port.

Dependency lines:
  • erkale-serial>0:science/erkale
To install the port: cd /usr/ports/science/erkale/ && make install clean
To add the package: pkg install erkale-serial
PKGNAME: erkale-serial
Package flavors (<flavor>: <package>)
  • serial: erkale-serial
  • parallel: erkale
distinfo:

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. armadillo>0 : math/armadillo
  2. clang90 : devel/llvm90
  3. cmake : devel/cmake
  4. gfortran9 : lang/gcc9
  5. pkgconf>=1.3.0_1 : devel/pkgconf
  6. 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
  8. libopenblas.so : math/openblas
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://codeload.github.com/susilehtola/erkale/tar.gz/0d0c895b0d9bcbcb523e7d7c3a11f590d18827d2?dummy=/

Number of commits found: 29

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  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: 29

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