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Port details
libgridxc Library to compute the exchange and correlation energy and potentials
1.1.0_2 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 1.1.0_2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-04 15:03:31
Last Update: 2023-12-10 10:23:11
Commit Hash: 843da99
License: BSD3CLAUSE
WWW:
https://gitlab.com/siesta-project/libraries/libgridxc
Description:
A library to compute the exchange and correlation energy and potential in spherical (i.e. an atom) or periodic systems. It is based on SiestaXC. The project is based on the SiestaXC code, and eventually will produce a package to be included in the Electronic Structure Library.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (49 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/libgridxc-1.1.0_2/catalog.mk
  3. /usr/local/share/licenses/libgridxc-1.1.0_2/LICENSE
  4. /usr/local/share/licenses/libgridxc-1.1.0_2/BSD3CLAUSE
  5. include/libgridxc/gridxc.mod
  6. include/libgridxc/gridxc_alloc.mod
  7. include/libgridxc/gridxc_am05.mod
  8. include/libgridxc/gridxc_array.mod
  9. include/libgridxc/gridxc_atom.mod
  10. include/libgridxc/gridxc_bessph.mod
  11. include/libgridxc/gridxc_cell.mod
  12. include/libgridxc/gridxc_cellsubs.mod
  13. include/libgridxc/gridxc_chkgmx.mod
  14. include/libgridxc/gridxc_config.mod
  15. include/libgridxc/gridxc_debugxc.mod
  16. include/libgridxc/gridxc_fft3d.mod
  17. include/libgridxc/gridxc_fft_gpfa.mod
  18. include/libgridxc/gridxc_fftr.mod
  19. include/libgridxc/gridxc_gga.mod
  20. include/libgridxc/gridxc_gpfa_core_dp.mod
  21. include/libgridxc/gridxc_gpfa_core_sp.mod
  22. include/libgridxc/gridxc_hybrids.mod
  23. include/libgridxc/gridxc_interpolation.mod
  24. include/libgridxc/gridxc_io.mod
  25. include/libgridxc/gridxc_lda.mod
  26. include/libgridxc/gridxc_mesh1d.mod
  27. include/libgridxc/gridxc_mesh3d.mod
  28. include/libgridxc/gridxc_minvec.mod
  29. include/libgridxc/gridxc_moreparallelsubs.mod
  30. include/libgridxc/gridxc_precision.mod
  31. include/libgridxc/gridxc_radfft.mod
  32. include/libgridxc/gridxc_sorting.mod
  33. include/libgridxc/gridxc_sys.mod
  34. include/libgridxc/gridxc_vdwxc.mod
  35. include/libgridxc/gridxc_vv_vdwxc.mod
  36. include/libgridxc/gridxc_walltime.mod
  37. include/libgridxc/gridxc_xcmod.mod
  38. include/libgridxc/gridxc_xwpbe.mod
  39. lib/cmake/libgridxc/libgridxc-config-version.cmake
  40. lib/cmake/libgridxc/libgridxc-config.cmake
  41. lib/cmake/libgridxc/libgridxc-targets-release.cmake
  42. lib/cmake/libgridxc/libgridxc-targets.cmake
  43. lib/libgridxc.so
  44. lib/libgridxc.so.1
  45. lib/libgridxc.so.1.1.0
  46. libdata/pkgconfig/libgridxc.pc
  47. @owner
  48. @group
  49. @mode
Collapse this list.
Dependency lines:
  • libgridxc>0:science/libgridxc
To install the port:
cd /usr/ports/science/libgridxc/ && make install clean
To add the package, run one of these commands:
  • pkg install science/libgridxc
  • pkg install libgridxc
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: libgridxc
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1672867830 SHA256 (libgridxc-1.1.0.tar.gz) = e7883e57a4db2438ee59437740291c06e0cfe1c8ae1901e4001f32312307e46a SIZE (libgridxc-1.1.0.tar.gz) = 357558

Packages (timestamps in pop-ups are UTC):
libgridxc
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-1.1.0_2------
FreeBSD:13:quarterly-1.1.0_2------
FreeBSD:14:latest-1.1.0_2------
FreeBSD:14:quarterly-1.1.0_2------
FreeBSD:15:latest-1.1.0_2n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran12 : lang/gcc12
  3. pkgconf>=1.3.0_1 : devel/pkgconf
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. libxc.so : science/libxc
  2. libmpich.so : net/mpich
This port is required by:
for Libraries

Deleted ports which required this port:

Expand this list of 1 deleted port
  1. science/atom*
  2. Collapse this list of deleted ports.
* - deleted ports are only shown under the This port is required by section. It was harder to do for the Required section. Perhaps later...

Configuration Options:
===> The following configuration options are available for libgridxc-1.1.0_2: LIBXC=on: Use libxc for exchange-correlation functionals for DFT ====> MPI (Message Passing Interface) support: you have to select exactly one of them NOMPI=off: Build without parallel processing support MPICH=on: Parallel processing support via MPICH 3 OPENMPI=off: Parallel processing support via Open MPI ===> Use 'make config' to modify these settings
Options name:
science_libgridxc
USES:
cmake fortran pkgconfig mpi:mpich
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://gitlab.com/siesta-project/libraries/libgridxc/-/archive/1.1.0/
Collapse this list.

Number of commits found: 21

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.1.0_2
10 Dec 2023 10:23:11
commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9commit hash: 843da99a87b4c6b3953bcd4153ed1212636783c9 files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2
1.1.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
1.1.0
04 Jan 2023 22:12:02
commit hash: 6381d7d0b34beb67ece3fa820c5e6104b5978210commit hash: 6381d7d0b34beb67ece3fa820c5e6104b5978210commit hash: 6381d7d0b34beb67ece3fa820c5e6104b5978210commit hash: 6381d7d0b34beb67ece3fa820c5e6104b5978210 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices

Change to cmake.

PR:		267078
Submitted by:	diizzy@ (previous version)
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
0.9.6
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
0.9.6
24 Apr 2021 01:36:22
commit hash: dc08439c74fe5e15923afdfb03210f06b16f3ce0commit hash: dc08439c74fe5e15923afdfb03210f06b16f3ce0commit hash: dc08439c74fe5e15923afdfb03210f06b16f3ce0commit hash: dc08439c74fe5e15923afdfb03210f06b16f3ce0 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/libgridxc: Update 0.8.5 -> 0.9.6

Project moved to GitLab.
0.8.5_3
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
0.8.5_3
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
0.8.5_3
26 Jan 2021 17:56:13
Revision:562965Original commit files touched by this commit
sunpoet search for other commits by this committer
Fix r561520

/!\ libgridxc-0.8.5_3: Makefile errors /!\

you cannot include bsd.port[.pre].mk twice

Defining both PORTVERSION and DISTVERSION is wrong, only set one, if necessary,
set DISTNAME

*** Error code 1

Stop.
make: stopped in /usr/ports/science/libgridxc

Approved by:	portmgr (blanket)
0.8.5_3
13 Jan 2021 23:03:31
Revision:561520Original commit files touched by this commit
linimon search for other commits by this committer
Update GCC_DEFAULT from 9 to 10.

A few (mostly Fortran-based) ports need to be patched because GCC 10
is stricter.  A handful of ports need to be restricted to GCC 9 because
they fail with 10.

5 ports still fail with GCC 10.  However, seeing as this work has been
ongoing since 2020-05-24, it is simply time to make the commit and
notify the affected maintainers.

While here, pet portlint (Makevar order).

PR:		246700
Submitted by:	gerald
Approved by:	antoine (after many, many, -exp runs)
0.8.5_3
13 Oct 2020 05:55:28
Revision:552183Original commit files touched by this commit
yuri search for other commits by this committer
science/libgridxc: Unbreak build by disabling the option that breaks

MFH:		2020Q4
0.8.5_2
16 May 2020 10:02:19
Revision:535374Original commit files touched by this commit
antoine search for other commits by this committer
Mark BROKEN

mpif90 -c -O2 -fPIC  -fimplicit-none -I /usr/local/include  -I./MPI_instr
-I./MPI_instr -I./MPI_instr  -DMPI -DLIBXC
/wrkdirs/usr/ports/science/libgridxc/work/libgridxc-0.8.5/src/ldaxc.F90
/wrkdirs/usr/ports/science/libgridxc/work/libgridxc-0.8.5/src/ldaxc.F90:98:8:

   98 |     use xc_f90_types_m
      |        1
Fatal Error: Cannot open module file 'xc_f90_types_m.mod' for reading at (1): No
such file or directory

Reported by:	pkg-fallout
0.8.5_2
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
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
0.8.5_1
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
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
0.8.5
17 Feb 2019 02:24:02
Revision:493143Original commit files touched by this commit
yuri search for other commits by this committer
science/libgridxc: Update 0.8.4 -> 0.8.5

Reported by:	portscout
0.8.4_1
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
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
0.8.4
04 Dec 2018 23:58:50
Revision:486638Original commit files touched by this commit
yuri search for other commits by this committer
science/libgridxc: Update 0.8.3 -> 0.8.4

Reported by:	portscout
0.8.3
15 Nov 2018 02:56:34
Revision:484991Original commit files touched by this commit
yuri search for other commits by this committer
science/libgridxc: Update 0.8.0 -> 0.8.3

Reported by:	portscout
0.8.0_2
20 Oct 2018 23:29:28
Revision:482633Original commit files touched by this commit
yuri search for other commits by this committer
science/libxc: Update 3.0.0 -> 4.2.3

PR:		231648
Approved by:	dieterich@ogolem.org (maintainer's timeout; 27 days)
0.8.0_1
22 Sep 2018 16:36:38
Revision:480395Original commit files touched by this commit
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
0.8.0
04 Sep 2018 15:03:13
Revision:478965Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/libgridxc: Library to compute the exchange and correlation
energy and potentials

Number of commits found: 21