| Port details |
- phonopy Package for phonon calculations at harmonic and quasi-harmonic levels
- 2.19.1 science
 =0      2.17.2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2021-08-05 17:12:46
- Last Update: 2023-05-22 02:04:57
- Commit Hash: 318f43d
- Also Listed In: python
- License: BSD3CLAUSE
- Description:
- Phonopy is an open source package for phonon calculations at harmonic and
quasi-harmonic levels.
The following features of phonopy are highlighted:
* Phonon band structure, phonon DOS and partial-DOS
* Phonon thermal properties: Free energy, heat capacity (Cv), and entropy
* Phonon group velocity
* Thermal ellipsoids / Mean square displacements
* Irreducible representations of normal modes
* Dynamic structure factor for INS and IXS
* Non-analytical-term correction: LO-TO splitting (Born effective charges and
dielectric constant are required.)
* Mode Gruneisen parameters
* Quasi-harmonic approximation: Thermal expansion, heat capacity at constant
pressure (Cp),
* Interfaces to calculators: VASP, VASP DFPT, ABINIT, Quantu ESPRESSO, SIESTA,
Elk, FHI-aims, WIEN2k, CRYSTAL
* Python APIs
  ¦  ¦  ¦  ¦  - pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- phonopy>0:science/phonopy
- To install the port:
- cd /usr/ports/science/phonopy/ && make install clean
- To add the package, run one of these commands:
- pkg install science/phonopy
- pkg install phonopy
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: phonopy
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1684714345
SHA256 (phonopy-phonopy-v2.19.1_GH0.tar.gz) = ee69ae8c1c9ac0516a62c33dee15e7a0d4c22440c6484c632f45207f9b69d0ee
SIZE (phonopy-phonopy-v2.19.1_GH0.tar.gz) = 6628769
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
- ninja : devel/ninja
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_phonopy
- USES:
- cmake
- 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 |
|---|
2.19.1
22 May 2023 02:04:57
 |
Yuri Victorovich (yuri) |
science/phonopy: Update 2.19.0 → 2.19.1
Reported by: portscout |
2.19.0
18 May 2023 06:32:20
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.18.0 → 2.19.0
Reported by: portscout |
2.18.0
31 Mar 2023 07:59:53
|
Yuri Victorovich (yuri) |
science/{,py-}phonopy: Update 2.17.2 → 2.18.0
Reported by: portscout |
2.17.2
13 Mar 2023 00:02:37
|
Piotr Kubaj (pkubaj) |
science/phonopy: fix build without libomp
CMake Error: CMAKE_C_COMPILER not set, after EnableLanguage
CMake Error: CMAKE_CXX_COMPILER not set, after EnableLanguage
CMake Error at /usr/local/share/cmake/Modules/FindOpenMP.cmake:261
(try_compile):
Failed to configure test project build system.
Call Stack (most recent call first):
/usr/local/share/cmake/Modules/FindOpenMP.cmake:537 (_OPENMP_GET_FLAGS)
CMakeLists.txt:26 (find_package) |
2.17.2
08 Mar 2023 09:04:44
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.16.3 → 2.17.2
Reported by: portscout |
2.16.3
05 Oct 2022 22:33:11
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.16.2.20220930 -> 2.16.3
Reported by: portscout |
2.16.2.20220930
30 Sep 2022 07:26:27
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.16.2 -> 2.16.2.20220930 fixes armv7 build |
2.16.2
30 Sep 2022 06:19:07
|
Yuri Victorovich (yuri) |
science/phonopy: Broken on armv7
Reported by: fallout |
2.16.2
21 Sep 2022 07:51:18
|
Yuri Victorovich (yuri) |
science/{,py-}phonopy: Update 2.16.1 -> 2.16.2
Reported by: portscout |
2.16.1
19 Sep 2022 04:24:01
|
Yuri Victorovich (yuri) |
science/{,py-}phonopy: Update 2.15.1 -> 2.16.1
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) |
2.15.1
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  ) |
2.15.1
29 May 2022 04:52:24
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.15.0 -> 2.15.1
Reported by: portscout |
2.15.0
24 May 2022 19:51:18
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.14.0 -> 2.15.0
Reported by: portscout |
2.14.0
14 Apr 2022 05:34:57
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.13.1 -> 2.14.0
Reported by: portscout |
2.13.1
13 Feb 2022 17:38:20
|
Yuri Victorovich (yuri) |
science/phonopy: Update 2.11.0 -> 2.13.1
Reported by: portscout |
2.11.0
05 Aug 2021 16:51:48
|
Yuri Victorovich (yuri) |
science/phonopy: New port: Package for phonon calculations at harmonic and
quasi-harmonic levels |
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