science/libgridxc 2.0.3
Library to compute the exchange and correlation energy and potentials
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
cf54cf2033- License
- BSD3CLAUSE
- Categories
- science
- Package size
- 250.1 KiB, 489.0 KiB installed
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.
Install
As a binary package — by origin, or by package name:
pkg install science/libgridxc
pkg install libgridxcFrom the ports tree:
cd /usr/ports/science/libgridxc/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= libgridxc>0:science/libgridxc
LIB_DEPENDS= libgridxc.so:science/libgridxcPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 2.0.3 | 2.0.3 | - | 1.1.0_2 | 2.0.3 |
| FreeBSD:14:quarterly | 2.0.3 | 2.0.3 | n/a | 1.1.0_2 | 2.0.3 |
| FreeBSD:15:latest | 2.0.3 | 2.0.3 | n/a | 1.1.0_2 | 1.1.0_2 |
| FreeBSD:15:quarterly | 2.0.3 | 2.0.3 | n/a | n/a | n/a |
| FreeBSD:16:latest | 2.0.3 | 2.0.3 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
All build dependencies 33
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/hwloc2
- devel/json-c
- devel/jsoncpp
- devel/level-zero
- devel/libepoll-shim
- devel/libffi
- devel/libpciaccess
- devel/libunistring
- devel/libuv
- devel/pkgconf
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- misc/hwdata
- net/libfabric
- net/mpich
- ports-mgmt/pkg
- print/indexinfo
- science/libxc
- security/rhash
- textproc/expat2
- textproc/libxml2
All run dependencies 25
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/hwloc2
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libffi
- devel/libpciaccess
- devel/readline
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/libxc
- textproc/expat2
- textproc/libxml2
No port depends on this one.
Configuration
Options name: science_libgridxc
| Option | Default | Description |
|---|---|---|
| LIBXC | on | Use libxc for exchange-correlation functionals for DFT |
| MPICH | on | Parallel processing support via MPICH |
| NOMPI | off | Build without parallel processing support |
| OPENMPI | off | Parallel processing support via Open MPI |
- USES
- cmake:testing fortran pkgconfig
- Service scripts
- none
Files
pkg-plist 42
- include/libgridxc/gridxc.mod
- include/libgridxc/gridxc_alloc.mod
- include/libgridxc/gridxc_am05.mod
- include/libgridxc/gridxc_array.mod
- include/libgridxc/gridxc_atom.mod
- include/libgridxc/gridxc_bessph.mod
- include/libgridxc/gridxc_cell.mod
- include/libgridxc/gridxc_cellsubs.mod
- include/libgridxc/gridxc_chkgmx.mod
- include/libgridxc/gridxc_config.mod
- include/libgridxc/gridxc_debugxc.mod
- include/libgridxc/gridxc_fft3d.mod
- include/libgridxc/gridxc_fft_gpfa.mod
- include/libgridxc/gridxc_fftr.mod
- include/libgridxc/gridxc_gga.mod
- include/libgridxc/gridxc_gpfa_core_dp.mod
- include/libgridxc/gridxc_gpfa_core_sp.mod
- include/libgridxc/gridxc_hybrids.mod
- include/libgridxc/gridxc_interpolation.mod
- include/libgridxc/gridxc_io.mod
- include/libgridxc/gridxc_lda.mod
- include/libgridxc/gridxc_mesh1d.mod
- include/libgridxc/gridxc_mesh3d.mod
- include/libgridxc/gridxc_minvec.mod
- include/libgridxc/gridxc_moreparallelsubs.mod
- include/libgridxc/gridxc_precision.mod
- include/libgridxc/gridxc_radfft.mod
- include/libgridxc/gridxc_sorting.mod
- include/libgridxc/gridxc_sys.mod
- include/libgridxc/gridxc_vdwxc.mod
- include/libgridxc/gridxc_vv_vdwxc.mod
- include/libgridxc/gridxc_walltime.mod
- include/libgridxc/gridxc_xcmod.mod
- include/libgridxc/gridxc_xwpbe.mod
- lib/cmake/libgridxc/libgridxc-config-version.cmake
- lib/cmake/libgridxc/libgridxc-config.cmake
- lib/cmake/libgridxc/libgridxc-targets-.cmake
- lib/cmake/libgridxc/libgridxc-targets.cmake
- lib/libgridxc.so
- lib/libgridxc.so.2
- lib/libgridxc.so.2.0.3
- libdata/pkgconfig/libgridxc.pc
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| libgridxc-2.0.3.tar.gz | 360494 | 13aaa36fb2a1c30f38f0b94245dfb4fb5f7c58be68b45c7f359266261caf23b3 |
Master sites 1
- https://gitlab.com/siesta-project/libraries/libgridxc/-/archive/2.0.3/