Port details |
- py-phonopy Package for phonon calculations at harmonic and quasi-harmonic levels
- 2.30.1 science =2 2.28.0Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-14 05:01:29
- Last Update: 2024-11-15 09:20:26
- Commit Hash: 7d2ad25
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- Also Listed In: python
- License: BSD3CLAUSE
- WWW:
- https://phonopy.github.io/phonopy/
- https://github.com/phonopy/phonopy
- 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
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}phonopy>0:science/py-phonopy@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-phonopy/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-phonopy
- pkg install py311-phonopy
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above. NOTE: This is a Python port. Instead of py311-phonopy listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py311-phonopy
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1731645740
SHA256 (phonopy-2.30.1.tar.gz) = e84a7915d9d2a98560171621f38100f49ef79c6cec9aeaa38d72797372d905f9
SIZE (phonopy-2.30.1.tar.gz) = 4054408
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
- py311-nanobind>0 : devel/py-nanobind@py311
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- py311-scikit-build-core>0 : devel/py-scikit-build-core@py311
- py311-setuptools-scm>=0 : devel/py-setuptools-scm@py311
- cython-3.11 : lang/cython@py311
- python3.11 : lang/python311
- py311-build>=0 : devel/py-build@py311
- py311-installer>=0 : devel/py-installer@py311
- Test dependencies:
-
- py311-nose>0 : devel/py-nose@py311
- py311-hiphive>0 : science/py-hiphive@py311
- py311-pytest>=7,1 : devel/py-pytest@py311
- python3.11 : lang/python311
- Runtime dependencies:
-
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- py311-h5py>=3.0 : science/py-h5py@py311
- py311-matplotlib>=2.2.2 : math/py-matplotlib@py311
- py311-spglib>=2.3 : science/py-spglib@py311
- py311-symfc>0 : science/py-symfc@py311
- py311-pyyaml>=5.3 : devel/py-pyyaml@py311
- python3.11 : lang/python311
- This port is required by:
- for Build
-
- science/py-phono3py
- for Run
-
- science/py-abipy
- science/py-phono3py
Configuration Options:
- No options to configure
- Options name:
- science_py-phonopy
- USES:
- python
- 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 |
2.30.1 15 Nov 2024 09:20:26 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.28.0 → 2.30.1 |
2.28.0 13 Sep 2024 08:24:49 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.27.0 → 2.28.0
Reported by: portscout |
2.27.0 24 Aug 2024 15:03:34 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.26.6 → 2.27.0
Reported by: portscout |
2.26.6 17 Jul 2024 15:17:18 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.26.5 → 2.26.6
Reported by: portscout |
2.26.5 15 Jul 2024 07:53:52 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.26.4 → 2.26.5
Reported by: portscout |
2.26.4 14 Jul 2024 18:20:49 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.26.3 → 2.26.4
Reported by: portscout |
2.26.3 09 Jul 2024 09:12:12 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.24.3 → 2.26.3
Reported by: portscout |
2.24.3_1 07 Jul 2024 08:05:33 |
Po-Chuan Hsieh (sunpoet) |
devel/py-pyyaml: Move devel/py-yaml to devel/py-pyyaml
- Bump PORTREVISION of dependent ports for dependency change |
2.24.3 19 Jun 2024 09:56:10 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.23.1 → 2.24.3
Reported by: portscout |
2.23.1 04 May 2024 08:27:25 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.23.0 → 2.23.1
Reported by: portscout |
2.23.0 02 May 2024 08:58:01 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.22.1 → 2.23.0
Reported by: portscout |
2.22.1 29 Mar 2024 20:06:56 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.22.0 → 2.22.1
Reported by: portscout |
2.22.0 20 Mar 2024 08:59:50 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.21.2 → 2.22.0
Reported by: portscout |
2.21.2 19 Feb 2024 04:52:20 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.21.1 → 2.21.2
Reported by: portscout |
2.21.1 17 Feb 2024 08:45:27 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: update 2.21.0 → 2.21.1
Reported by: portscout |
2.21.0 02 Jan 2024 06:53:20 |
Yuri Victorovich (yuri) |
science/py-phonopy: update 2.20.0 → 2.21.0
Reported by: portscout |
2.20.0 03 Jul 2023 08:33:25 |
Yuri Victorovich (yuri) |
science/{,py-}phonopy: Update 2.19.1 → 2.20.0
Reported by: portscout |
2.19.1 27 Jun 2023 19:34:34 |
Rene Ladan (rene) |
all: remove explicit versions in USES=python for "3.x+"
The logic in USES=python will automatically convert this to 3.8+ by
itself.
Adjust two ports that only had Python 3.7 mentioned but build fine
on Python 3.8 too.
finance/quickfix: mark BROKEN with PYTHON
libtool: compile: c++ -DHAVE_CONFIG_H -I. -I../.. -I -I. -I.. -I../.. -I../C++
-DLIBICONV_PLUG -DPYTHON_MAJOR_VERSION=3 -Wno-unused-variable
-Wno-maybe-uninitialized -O2 -pipe -DLIBICONV_PLUG -fstack-protector-strong
-fno-strict-aliasing -DLIBICONV_PLUG -Wall -ansi
-Wno-unused-command-line-argument -Wpointer-arith -Wwrite-strings
-Wno-overloaded-virtual -Wno-deprecated-declarations -Wno-deprecated -std=c++0x
-MT _quickfix_la-QuickfixPython.lo -MD -MP -MF
.deps/_quickfix_la-QuickfixPython.Tpo -c QuickfixPython.cpp -fPIC -DPIC -o
.libs/_quickfix_la-QuickfixPython.o
warning: unknown warning option '-Wno-maybe-uninitialized'; did you mean
'-Wno-uninitialized'? [-Wunknown-warning-option]
QuickfixPython.cpp:175:11: fatal error: 'Python.h' file not found
^~~~~~~~~~
1 warning and 1 error generated.
Reviewed by: portmgr, vishwin, yuri
Differential Revision: <https://reviews.freebsd.org/D40568> |
2.19.1 22 May 2023 02:04:58 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.18.0 → 2.19.1
Reported by: portscout |
2.18.0_1 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
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 08 Mar 2023 09:04:44 |
Yuri Victorovich (yuri) |
science/phonopy: Update 2.16.3 → 2.17.2
Reported by: portscout |
2.16.3 11 Jan 2023 15:58:34 |
Dmitry Marakasov (amdmi3) |
*/*: rename CHEESESHOP to PYPI in MASTER_SITES
PR: 267994
Differential revision: D37518
Approved by: bapt |
2.16.3 05 Oct 2022 22:33:12 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.16.2 -> 2.16.3
Reported by: portscout |
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 06 Jun 2022 06:31:07 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.14.0 -> 2.15.1
Reported by: portscout |
2.14.0 10 Apr 2022 23:21:50 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.13.1 -> 2.14.0
Reported by: portscout |
2.13.1 28 Feb 2022 04:08:09 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.12.0 -> 2.13.1
Reported by: portscout |
2.12.0 14 Jan 2022 22:18:03 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.11.0 -> 2.12.0
Reported by: portscout |
2.11.0 05 Aug 2021 16:51:47 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.10.0 -> 2.11.0
Also update WWW.
Reported by: portscout |
2.10.0 11 Jun 2021 09:57:58 |
Yuri Victorovich (yuri) |
science/py-phonopy: Update 2.9.3 -> 2.10.0
Reported by: portscout |
2.9.3 18 Apr 2021 05:44:04 |
Po-Chuan Hsieh (sunpoet) |
science/py-h5py: Update to 3.2.1
- Update USES=python of dependent ports
Changes: https://github.com/h5py/h5py/releases
https://github.com/h5py/h5py/blob/master/docs/whatsnew/3.2.rst |
2.9.3 07 Apr 2021 08:09:01 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2.9.3 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
2.9.3 20 Mar 2021 06:21:55 |
yuri |
science/py-phonopy: 2.9.1 -> 2.9.3 |
2.9.1 30 Jan 2021 10:43:12 |
yuri |
science/py-phonopy: Update 2.9.0 -> 2.9.1
Reported by: portscout |
2.9.0 29 Jan 2021 08:26:24 |
yuri |
science/py-phonopy: Update 2.8.1 -> 2.9.0
Reported by: portscout |
2.8.1 12 Oct 2020 04:37:50 |
yuri |
science/py-phonopy: Update 2.8.0 -> 2.8.1
Reported by: portscout |
2.8.0 24 Sep 2020 01:03:57 |
yuri |
science/py-phonopy: Update 2.7.1 -> 2.8.0
Reported by: portscout |
2.7.1 19 Sep 2020 14:15:43 |
antoine |
Unbreak bulk -a |
2.7.1 05 Aug 2020 19:17:19 |
yuri |
science/py-phonopy: Update 2.5.0 -> 2.7.1
Reported by: portscout |
2.5.0 16 Jun 2020 16:11:37 |
yuri |
science/py-phonopy: Update 2.4.2 -> 2.5.0
Reported by: portscout |
2.4.2 16 Jun 2020 02:03:10 |
yuri |
science/py-phonopy: Update 2.3.0 -> 2.4.2 |
2.3.0 31 Aug 2019 06:06:51 |
yuri |
science/py-phonopy: Update 2.2.0 -> 2.3.0
Reported by: portscout |
2.2.0 02 Aug 2019 20:59:35 |
yuri |
science/py-phonopy: Update 2.1.4 -> 2.2.0
Reported by: portscout |
2.1.4_1 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 |
2.1.4 28 Jun 2019 05:04:05 |
yuri |
science/py-phonopy: Update 2.1.3 -> 2.1.4
Reported by: portscout |
2.1.3 08 May 2019 06:35:50 |
yuri |
science/py-phonopy: Update 2.0.0 -> 2.1.3 |
2.0.0 08 May 2019 06:11:16 |
yuri |
science/py-phonopy: 1.13.2.107 -> 2.0.0 |
1.13.2.107_1 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 |
1.13.2.107 17 Oct 2018 07:04:50 |
yuri |
science/py-phonopy: Fix tests |
1.13.2.107 14 Sep 2018 05:01:18 |
yuri |
New port: science/py-phonopy: Package for phonon calculations at harmonic and
quasi-harmonic levels |