notbugAs an Amazon Associate I earn from qualifying purchases.
Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15)
Port details
erkale Quantum chemistry program to solve the electronic structure of atoms
g20190812 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 g20190412Version 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: 2019-08-17 07:19:00
SVN Revision: 509137
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. clang80 : devel/llvm80
  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. libopenblas.so : math/openblas
  6. libsz.so : science/szip
  7. libxc.so : science/libxc
  8. libcblas.so : math/cblas
  9. libblas.so : math/blas
  10. liblapack.so : math/lapack
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://codeload.github.com/susilehtola/erkale/tar.gz/b9279190bbd82fef33968e88bad706c8e213b6e4?dummy=/

Number of commits found: 20

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
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: 20

Login
User Login
Create account

Servers and bandwidth provided by
New York Internet, iXsystems, and RootBSD

This site
What is FreshPorts?
About the authors
Issues
FAQ
How big is it?
The latest upgrade!
Privacy
Forums
Blog
Contact

Search
Enter Keywords:
 
more...

Latest Vulnerabilities
broSep 17
expat2Sep 16
curlSep 14
opensslSep 11
openssl111Sep 11
linux-flashplayerSep 10
onigurumaSep 07
xymon-serverSep 07
asterisk13Sep 06
asterisk15Sep 06
asterisk16Sep 06
asterisk16Sep 06
eximSep 06
wordpressSep 06
wordpressSep 06

14 vulnerabilities affecting 201 ports have been reported in the past 14 days

* - modified, not new

All vulnerabilities

Last updated:
2019-09-17 23:50:39


Ports
Home
Categories
Deleted ports
Sanity Test Failures
Newsfeeds

Statistics
Graphs
NEW Graphs (Javascript)
Traffic

Calculated hourly:
Port count 37708
Broken 408
Deprecated 536
Ignore 667
Forbidden 3
Restricted 162
No CDROM 74
Vulnerable 29
Expired 9
Set to expire 507
Interactive 0
new 24 hours 4
new 48 hours9
new 7 days25
new fortnight76
new month412

Servers and bandwidth provided by
New York Internet, iXsystems, and RootBSD
Valid HTML, CSS, and RSS.
Copyright © 2000-2019 Dan Langille. All rights reserved.