| Port details |
- sirius Domain specific library for electronic structure calculations
- 7.5.2 science
 =0      7.4.3_3Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-08-27 04:27:26
- Last Update: 2024-01-12 10:15:57
- Commit Hash: f6cbad9
- License: BSD2CLAUSE
- WWW:
- https://github.com/electronic-structure/SIRIUS
- Description:
- SIRIUS is a domain specific library for electronic structure calculations. It
implements pseudopotential plane wave (PP-PW) and full potential linearized
augmented plane wave (FP-LAPW) methods and is designed for GPU acceleration of
popular community codes such as Exciting, Elk and Quantum ESPRESSO. SIRIUS is
written in C++14 with MPI, OpenMP and CUDA/ROCm programming models. SIRIUS is
organised as a collection of classes that abstract away the different building
blocks of DFT self-consistency cycle.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- sirius-quantum-chemistry>0:science/sirius
- To install the port:
- cd /usr/ports/science/sirius/ && make install clean
- To add the package, run one of these commands:
- pkg install science/sirius
- pkg install sirius-quantum-chemistry
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: sirius-quantum-chemistry
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1704962050
SHA256 (electronic-structure-SIRIUS-v7.5.2_GH0.tar.gz) = 9ae01935578532c84f1d0d673dbbcdd490e26be22efa6c4acf7129f9dc1a0c60
SIZE (electronic-structure-SIRIUS-v7.5.2_GH0.tar.gz) = 29282755
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- cmake : devel/cmake-core
- eigen3.pc : math/eigen3
- gfortran12 : lang/gcc12
- pkgconf>=1.3.0_1 : devel/pkgconf
- as : devel/binutils
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- Library dependencies:
-
- libcosta.so : math/costa
- libgsl.so : math/gsl
- libhdf5.so : science/hdf5
- libopenblas.so : math/openblas
- libscalapack.so : math/scalapack
- libspfft.so : math/spfft
- libspla.so : math/spla
- libsymspg.so : science/spglib
- libxc.so : science/libxc
- libmpich.so : net/mpich
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for sirius-quantum-chemistry-7.5.2:
NLCGLIB=off: Enable nlcglib
====> MPI (Message Passing Interface) support: you have to select exactly one of them
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_sirius
- USES:
- cmake:testing compiler:c++14-lang eigen:3,test fortran pkgconfig mpi:mpich
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
7.5.2
12 Jan 2024 10:15:57
 |
Yuri Victorovich (yuri) |
science/sirius: Broken on 15 due to clang crash
Reported by: fallout |
7.5.2
11 Jan 2024 09:12:45
|
Yuri Victorovich (yuri) |
science/sirius: update 7.5.0 → 7.5.2
Reported by: portscout |
7.5.0
04 Jan 2024 05:48:35
|
Yuri Victorovich (yuri) |
science/sirius: update 7.4.3 → 7.5.0
Reported by: portscout |
7.4.3_3
12 Dec 2023 19:03:50
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
7.4.3_2
10 Dec 2023 10:23:11
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2 |
7.4.3_1
11 Sep 2023 06:51:41
|
Yuri Victorovich (yuri) |
science/{,py-}spglib: update 2.0.2 → 2.1.0
Reported by: portscout |
7.4.3
14 Jul 2023 00:21:32
|
Yuri Victorovich (yuri) |
science/sirius: Update 7.3.2 → 7.4.3
Reported by: portscout |
7.3.2_4
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
7.3.2_3
05 Nov 2022 14:47:18
|
Thierry Thomas (thierry) |
science/*: bump PORTREVISION in consumers of libXC |
7.3.2_2
08 Oct 2022 02:36:41
|
Yuri Victorovich (yuri) |
science/spglib: Update 1.16.5 -> 2.0.1 |
7.3.2_1
22 Sep 2022 15:40:10
|
Yuri Victorovich (yuri) |
devel/kokkos: Update 3.6.01 -> 3.7.00
Reported by: portscout |
07 Sep 2022 21:58:51
|
Stefan Eßer (se) |
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) |
7.3.2
07 Sep 2022 21:10:59
|
Stefan Eßer (se) |
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  ) |
7.3.2
27 Aug 2022 04:25:42
|
Yuri Victorovich (yuri) |
science/sirius: New port: Domain specific library for electronic structure
calculations |
As an Amazon Associate I earn from qualifying purchases.