Port details |
- octopus Scientific program aimed at the ab initio virtual experimentation
- 15.1_1 science
=2 13.0_4Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
 - Port Added: 2018-08-24 17:54:24
- Last Update: 2025-01-24 12:18:28
- Commit Hash: 6cce1f5
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: GPLv2
- WWW:
- https://octopus-code.org/documentation/15/
- Description:
- Octopus is a scientific program aimed at the ab initio virtual experimentation
on a hopefully ever-increasing range of system types. Electrons are described
quantum-mechanically within density-functional theory (DFT), in its
time-dependent form (TDDFT) when doing simulations in time. Nuclei are described
classically as point particles. Electron-nucleus interaction is described within
the pseudopotential approximation.
For optimal execution performance Octopus is parallelized using MPI and OpenMP
and can scale to tens of thousands of processors. It also has support for
graphical processing units (GPUs) through OpenCL and CUDA.
¦ ¦ ¦ ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- octopus>0:science/octopus
- To install the port:
- cd /usr/ports/science/octopus/ && make install clean
- To add the package, run one of these commands:
- pkg install science/octopus
- pkg install octopus
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: octopus
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1737081048
SHA256 (octopus-15.1.tar.gz) = 6c4deb535ddfcdcdf6f26764b38fb1ad05faa9b418ec18d5d93f8d1040165bda
SIZE (octopus-15.1.tar.gz) = 42705145
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:
-
- bash : shells/bash
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- python3.11 : lang/python311
- as : devel/binutils
- perl5>=5.36<5.37 : lang/perl5.36
- Test dependencies:
-
- python3.11 : lang/python311
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- perl5>=5.36<5.37 : lang/perl5.36
- Library dependencies:
-
- libarpack.so : math/arpack-ng
- libblas.so : math/blas
- libfftw3.so : math/fftw3
- libfontconfig.so : x11-fonts/fontconfig
- libfreetype.so : print/freetype2
- libgd.so : graphics/gd
- libgmp.so : math/gmp
- libgsl.so : math/gsl
- liblapack.so : math/lapack
- libmpfr.so : math/mpfr
- libnlopt.so : math/nlopt
- libpng.so : graphics/png
- libsymspg.so : science/spglib
- libtiff.so : graphics/tiff
- libvdwxcfort.so : science/libvdwxc
- libwebp.so : graphics/webp
- libxc.so : science/libxc
- libyaml.so : textproc/libyaml
- libjpeg.so : graphics/jpeg-turbo
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for octopus-15.1_1:
OPENMP=on: Parallel processing support via OpenMP
===> Use 'make config' to modify these settings
- Options name:
- science_octopus
- USES:
- compiler:c++14-lang fortran gmake jpeg libtool localbase:ldflags perl5 python shebangfix
- 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 |
15.1_1 24 Jan 2025 12:18:28
    |
Thierry Thomas (thierry)  |
*/*: bump PORTREVISION to chase blas/lapack, Suitesparse and BLIS |
15.1 17 Jan 2025 07:21:36
    |
Yuri Victorovich (yuri)  |
science/octopus: update 13.0 → 15.1 |
13.0_4 30 Oct 2024 09:00:37
    |
Robert Clausecker (fuz)  |
science/octopus: builds fine on aarch64
Approved by: portmgr (build fix blanket) |
13.0_4 25 Aug 2024 13:33:16
    |
Rainer Hurling (rhurlin)  |
*/*: Bump PORTVERSION of math/nlopt consumers
..due to shlib change |
13.0_3 09 Jul 2024 10:08:39
    |
Yuri Victorovich (yuri)  |
science/octopus: Attempt to fix build on i386
Reported by: fallout |
13.0_3 27 Apr 2024 12:44:59
    |
Tijl Coosemans (tijl)  |
graphics/tiff: Update to 4.6.0
PR: 278577
Exp-run by: antoine |
13.0_2 21 Mar 2024 17:10:16
    |
Nuno Teixeira (eduardo)  |
science/octopus: Move man pages to share/man
Approved by: portmgr (blanket) |
13.0_1 01 Jan 2024 11:49:51
    |
Thierry Thomas (thierry)  |
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0
PR: 275860 |
13.0 06 Nov 2023 23:22:33
    |
Yuri Victorovich (yuri)  |
science/octopus: update 11.4 → 13.0 |
11.4_5 11 Sep 2023 06:51:41
    |
Yuri Victorovich (yuri)  |
science/{,py-}spglib: update 2.0.2 → 2.1.0
Reported by: portscout |
11.4_4 28 Jul 2023 17:13:17
    |
Daniel Engberg (diizzy)  |
*/*: Bump jpeg-turbo users treewide
New major version 3.0.0 |
11.4_3 23 Apr 2023 09:09:58
    |
Gerald Pfeifer (gerald)  |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
11.4_2 05 Nov 2022 14:47:18
    |
Thierry Thomas (thierry)  |
science/*: bump PORTREVISION in consumers of libXC |
11.4_1 30 Oct 2022 20:11:58
    |
Yuri Victorovich (yuri)  |
science/octopus: Add USE_GCC=11
octopus isn't yet compatible with gcc-12.
PR: 266196
Reported by: salvadore@ |
11.4_1 08 Oct 2022 02:36:41
    |
Yuri Victorovich (yuri)  |
science/spglib: Update 1.16.5 -> 2.0.1 |
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) |
11.4 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 ) |
11.4 31 May 2022 09:12:09
    |
Yuri Victorovich (yuri)  |
science/octopus: Cosmetic changes |
11.4 31 May 2022 09:01:23
    |
Yuri Victorovich (yuri)  |
science/octopus: Update 11.3 -> 11.4 |
11.3_1 20 Mar 2022 18:24:41
    |
Yuri Victorovich (yuri)  |
science/octopus: Broken on aarch64
Reported by: portscout |
11.3_1 12 Jan 2022 19:41:22
    |
Tobias C. Berner (tcberner)  |
math/gsl: bump portrevision of consumers after update to 2.7.1
PR: 260201 |
11.3 06 Jan 2022 21:53:38
    |
Yuri Victorovich (yuri)  |
science/octopus: Backport the fix for testsuite |
11.3 06 Jan 2022 00:22:45
    |
Yuri Victorovich (yuri)  |
science/octopus: Update 10.5 -> 11.3 |
10.5_1 16 Aug 2021 01:32:15
    |
Yuri Victorovich (yuri)  |
science/[,py-]spglib: Update 1.16.1 -> 1.16.2
Reported by: portscout |
10.5 09 Aug 2021 01:57:37
    |
Yuri Victorovich (yuri)  |
science/octopus: Update 10.3 -> 10.5 |
10.3_1 16 Jun 2021 19:31:27
    |
Tobias C. Berner (tcberner)  |
math/gsl: update to 2.7
From [1]
* What is new in gsl-2.7:
* fixed doc bug for gsl_histogram_min_bin (lhcsky at 163.com)
* fixed bug #60335 (spmatrix test failure, J. Lamb)
* fixed bug #36577
* clarified documentation on interpolation accelerators (V. Krishnan)
* fixed bug #45521 (erroneous GSL_ERROR_NULL in ode-initval2, thanks to M.
Sitte)
* fixed doc bug #59758
* fixed bug #58202 (rstat median for n=5)
* added support for native C complex number types in gsl_complex
when using a C11 compiler
* upgraded to autoconf 2.71, automake 1.16.3, libtool 2.4.6 (Only the first 15 lines of the commit message are shown above ) |
10.3 07 Apr 2021 08:09:01
    |
Mathieu Arnold (mat)  |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
10.3 06 Apr 2021 14:31:07
    |
Mathieu Arnold (mat)  |
Remove # $FreeBSD$ from Makefiles. |
10.3 12 Jan 2021 07:49:47
  |
yuri  |
science/octopus: Update 10.1 -> 10.3 |
10.1 17 Nov 2020 22:39:17
  |
linimon  |
Add workaround for new failure with Fortran GCC 10 frontend:
BOZ literal constant at (1) is neither a data-stmt-constant nor an actual
argument to INT, REAL, DBLE, or CMPLX intrinsic function
PR: 246700
Approved by: maintainer |
10.1 13 Oct 2020 05:36:02
  |
yuri  |
science/octopus: Update 9.2 -> 10.1 |
9.2_1 16 May 2020 10:03:40
  |
antoine  |
Mark BROKEN
gfortran9 -I/usr/local/include -ffree-line-length-none
-Wl,-rpath=/usr/local/lib/gcc9 -fopenmp -I ../external_libs/bpdn -I
../external_libs/dftd3 -I ../external_libs/spglib-1.9.9/src/ -I /usr/include
-I/usr/include -I /include -c -o species/atomic.o species/atomic_oct.f90
f951: Warning: Nonexistent include directory
'../external_libs/spglib-1.9.9/src/' [-Wmissing-include-dirs]
f951: Warning: Nonexistent include directory '/include' [-Wmissing-include-dirs]
species/atomic.F90:299:26:
299 | type(XC_F90(pointer_t)) :: x_conf, c_conf
| 1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined
species/atomic.F90:300:26:
300 | type(XC_F90(pointer_t)) :: x_info, c_info
| 1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined (Only the first 15 lines of the commit message are shown above ) |
9.2_1 04 May 2020 21:31:39
  |
dinoex  |
- update libgd to 2.3.0
- new option RAQM
- resurrect deprecated gdlib-config
- bump dependend ports |
9.2 05 Apr 2020 01:17:40
  |
yuri  |
science/octopus: Update 8.4 -> 9.2 |
8.4_3 04 Apr 2020 23:35:13
  |
yuri  |
science/octopus: Correct URL |
8.4_3 04 Apr 2020 23:32:09
  |
yuri  |
science/octopus: Unbreak by correcting MASTER_SITES: the project has moved to a
new URL |
8.4_3 04 Apr 2020 20:51:41
  |
antoine  |
Deprecate ports broken for more than 6 months |
8.4_3 06 Nov 2019 16:26:35
  |
antoine  |
Mark a few ports BROKEN (unfetchable) |
8.4_3 25 Oct 2019 23:41:34
  |
tcberner  |
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 |
8.4_2 26 Jul 2019 20:46:57
  |
gerald  |
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 |
8.4_1 16 Jun 2019 16:05:29
  |
antoine  |
Clean up LIB_DEPENDS |
8.4_1 22 Apr 2019 13:16:34
  |
gerald  |
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 |
8.4 07 Apr 2019 03:06:29
  |
yuri  |
science/octopus: Update 8.3 -> 8.4 |
8.3_1 20 Jan 2019 01:22:46
  |
yuri  |
science/octopus: patches |
8.3_1 20 Jan 2019 01:04:40
  |
yuri  |
science/octopus: Unbundle spglib; Add OPENMP option that makes it parallelized
by default |
8.3 14 Dec 2018 02:21:27
  |
yuri  |
science/octopus: Update 8.2 -> 8.3
Reported by: repology |
8.2_3 12 Dec 2018 01:35:36
  |
gerald  |
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 |
8.2_2 20 Oct 2018 23:29:28
  |
yuri  |
science/libxc: Update 3.0.0 -> 4.2.3
PR: 231648
Approved by: dieterich@ogolem.org (maintainer's timeout; 27 days) |
8.2_1 04 Oct 2018 21:10:42
  |
yuri  |
science/dftbplus science/mbdyn science/octopus: Change from math/arpack to
math/arpack-ng |
8.2 24 Aug 2018 17:54:04
  |
yuri  |
New port: science/octopus: Scientific program aimed at the ab initio virtual
experimentation |