| Port details |
- py-pymatgen Python Materials Genomics is a robust materials analysis code
- 2022.0.15 science
 =0      2022.0.12Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-06-15 23:49:49
- Last Update: 2021-10-22 15:58:25
- Commit Hash: 45bdca3
- Also Listed In: python
- License: MIT
- Description:
- Pymatgen (Python Materials Genomics) is a robust, open-source Python library
for materials analysis. These are some of the main features:
* Highly flexible classes for the representation of Element, Site, Molecule,
Structure objects.
* Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF,
Gaussian, XYZ, and many other file formats.
* Powerful analysis tools, including generation of phase diagrams, Pourbaix
diagrams, diffusion analyses, reactions, etc.
* Electronic structure analyses, such as density of states and band structure.
* Integration with the Materials Project REST API, Crystallography Open
Database.
WWW: https://pymatgen.org/
- SVNWeb : git : Homepage
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}pymatgen>0:science/py-pymatgen@${PY_FLAVOR}
- To install the port: cd /usr/ports/science/py-pymatgen/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-pymatgen
- pkg install py38-pymatgen
NOTE: This is a Python port. Instead of py38-pymatgen listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py38-pymatgen
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1634917092
SHA256 (pymatgen-2022.0.15.tar.gz) = bc5f075f8b57d57a276ed9d1e5efc71c67c2b0af55c94ff83e02c7ac2ab97de8
SIZE (pymatgen-2022.0.15.tar.gz) = 3340282
- 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:
-
- py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
- cython-3.8 : lang/cython@py38
- py38-setuptools>0 : devel/py-setuptools@py38
- python3.8 : lang/python38
- Runtime dependencies:
-
- py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
- py38-beautifulsoup>=4.9.3 : www/py-beautifulsoup@py38
- py38-matplotlib>=1.5 : math/py-matplotlib@py38
- py38-monty>0 : devel/py-monty@py38
- py38-networkx>0 : math/py-networkx@py38
- py38-palettable>=3.1.1 : misc/py-palettable@py38
- py38-pandas>0 : math/py-pandas@py38
- py38-plotly>0 : graphics/py-plotly@py38
- py38-requests>0 : www/py-requests@py38
- py38-ruamel.yaml>0 : devel/py-ruamel.yaml@py38
- py38-scipy>=1.5.0 : science/py-scipy@py38
- py38-six>0 : devel/py-six@py38
- py38-spglib>0 : science/py-spglib@py38
- py38-sympy>0 : math/py-sympy@py38
- py38-tabulate>0 : devel/py-tabulate@py38
- py38-typing-extensions>0 : devel/py-typing-extensions@py38
- py38-uncertainties>0 : math/py-uncertainties@py38
- py38-setuptools>0 : devel/py-setuptools@py38
- python3.8 : lang/python38
- This port is required by:
- for Build
-
- science/py-abipy
- Configuration Options:
- No options to configure
- Options name:
- science_py-pymatgen
- USES:
- compiler:c++11-lang python:3.7+
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: see SVNWeb link above for full details) |
| Date | By | Description |
|---|
22 Oct 2021 15:58:25
  2022.0.15
|
yuri |
science/py-pymatgen: Update 2022.0.14 -> 2022.0.15
Reported by: portscout |
16 Oct 2021 23:56:17
2022.0.14
|
yuri |
science/py-pymatgen: Update 2022.0.12 -> 2022.0.14
Reported by: portscout |
26 Aug 2021 17:45:42
2022.0.12
|
yuri |
science/py-pymatgen: Update 2022.0.11 -> 2022.0.12
Reported by: portscout |
05 Aug 2021 16:51:46
2022.0.11
|
yuri |
science/py-pymatgen: Update 2022.0.10 -> 2022.0.11
Reported by: portscout |
04 Jul 2021 19:26:49
2022.0.10
|
yuri |
science/py-pymatgen: Update 2022.0.9 -> 2022.0.10
Reported by: portscout |
22 Jun 2021 21:54:17
2022.0.9
|
yuri |
science/py-pymatgen: Update 2022.0.8 -> 2022.0.9
Reported by: portscout |
10 May 2021 17:45:56
2022.0.8
|
yuri |
science/py-pymatgen: Update 2022.0.7 -> 2022.0.8
Reported by: portscout |
05 May 2021 05:01:53
2022.0.7
|
yuri |
science/py-pymatgen: Update 2022.0.5 -> 2022.0.7
Reported by: portscout |
07 Apr 2021 08:09:01
2022.0.5
|
mat |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
06 Apr 2021 14:31:07
2022.0.5
|
mat |
Remove # $FreeBSD$ from Makefiles. |
20 Mar 2021 06:19:31
  2022.0.5
|
yuri |
science/py-pymatgen: Update 2022.0.4 -> 2022.0.5 |
10 Mar 2021 05:36:23
2022.0.4
|
yuri |
science/py-pymatgen: Update 2022.0.3 -> 2022.0.4 |
06 Mar 2021 12:13:58
2022.0.3
|
kai |
science/py-pymatgen: Fix packaging with Python 3.8
* Apply the same fix as in r559094 by stripping libraries by wildcard paths.
PR: 253815
Approved by: python (with hat) |
06 Mar 2021 09:09:23
2022.0.3
|
yuri |
science/py-pymatgen: Update 2021.3.3 -> 2022.0.3
Reported by: portscout |
05 Mar 2021 19:37:34
2021.3.3
|
yuri |
science/py-pymatgen: Update 2021.2.16 -> 2021.3.3 |
22 Feb 2021 21:48:14
2021.2.16
|
yuri |
science/py-pymatgen: Update 2021.2.14 -> 2021.2.16 |
16 Feb 2021 01:29:30
2021.2.14
|
yuri |
science/py-pymatgen: Update 2019.10.16 -> 2021.2.14 |
30 Jan 2021 13:29:58
2019.10.16
|
sunpoet |
Update USES=python: math/py-pandas 1.2.0 requires Python 3.7+
PR: 250103 |
26 May 2020 09:32:48
2019.10.16
|
amdmi3 |
- Update WWW
Approved by: portmgr blanket |
23 Jan 2020 10:44:41
2019.10.16
|
pkubaj |
science/py-pymatgen: fix build on GCC architectures
C++11 compiler is necessary:cc1plus:
error: unrecognized command line option "-std=c++11"
-march=native is specified in CXXFLAGS and may break runtime on some x86:
cc1plus: error: unrecognized command line option "-march=native"
Approved by: portmgr (ports compliance) |
18 Jan 2020 19:43:44
2019.10.16
|
yuri |
science/py-pymatgen: Update 2019.2.28 -> 2019.10.16
Reported by: portscout |
26 Jul 2019 20:46:57
2019.2.28_1
|
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 |
08 May 2019 05:49:01
2019.2.28
|
yuri |
science/py-pymatgen: Update 2019.1.24 -> 2019.2.28 |
04 Feb 2019 19:53:14
2019.1.24
|
yuri |
science/py-pymatgen: python-3 only |
04 Feb 2019 19:26:51
2019.1.24
|
yuri |
science/py-pymatgen: Update 2018.10.18 -> 2019.1.24
portscout has missed this update. |
26 Jan 2019 06:27:42
2018.10.18
|
yuri |
science/py-pymatgen: Update 2018.9.30 -> 2018.10.18
Reported by: repology |
12 Dec 2018 01:35:36
2018.9.30_1
|
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 |
08 Dec 2018 18:53:46
2018.9.30
|
yuri |
science/py-pymatgen: Update 2018.9.1 -> 2018.9.30
Reported by: repology |
17 Sep 2018 20:29:12
2018.9.1
|
yuri |
science/py-pymatgen: Update 2018.8.10 -> 2018.9.1
Reported by: repology |
20 Aug 2018 07:42:14
2018.8.10
|
yuri |
science/py-pymatgen: Update 2018.6.11 -> 2018.8.10
Reported by: repology |
20 Jun 2018 17:05:44
2018.6.11_1
|
mat |
Use PY_FLAVOR for dependencies.
FLAVOR is the current port's flavor, it should not be used outside of
this scope.
Sponsored by: Absolight |
19 Jun 2018 00:10:16
2018.6.11_1
|
yuri |
science/py-pymatgen: Add USE_PYTHON=concurrent |
15 Jun 2018 23:49:36
2018.6.11
|
yuri |
New port: science/py-pymatgen: Python Materials Genomics is a robust materials
analysis code |
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