Port details on branch 2022Q2 |
- py-ase Atomic simulation environment
- 3.22.1_1 science =0 3.22.1_1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-01 18:18:07
- Last Update: 2023-12-01 06:39:02
- Commit Hash: 8efcc1c
- Also Listed In: python
- License: LGPL21
- WWW:
- https://wiki.fysik.dtu.dk/ase/
- Description:
- ASE is a set of tools and Python modules for setting up, manipulating,
running, visualizing and analyzing atomistic simulations.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-ase/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-ase
- pkg install py39-ase
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 py39-ase listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-ase
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1641274608
SHA256 (ase-3.22.1.tar.gz) = 004df6b0ea04b1114c790fadfe45d4125eb0e53125c66a93425af853d82ab432
SIZE (ase-3.22.1.tar.gz) = 2807134
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:
-
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- py39-pytest-mock>0 : devel/py-pytest-mock@py39
- py39-pytest-xdist>=1.30.0 : devel/py-pytest-xdist@py39
- py39-asap3>0 : science/py-asap3@py39
- py39-flask>0 : www/py-flask@py39
- py39-netCDF4>0 : science/py-netCDF4@py39
- py39-spglib>0 : science/py-spglib@py39
- py39-pytest>=7,1 : devel/py-pytest@py39
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-matplotlib>=3.1.0 : math/py-matplotlib@py39
- py39-scipy>=1.1.0 : science/py-scipy@py39
- nwchem : science/nwchem
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- This port is required by:
- for Build
-
- science/votca
- for Run
-
- science/py-asap3
- science/py-gpaw
- science/py-hiphive
- science/votca
Configuration Options:
- No options to configure
- Options name:
- science_py-ase
- USES:
- python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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