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Port details on branch 2022Q3
py-gpaw DFT and beyond within the projector-augmented wave method in chemistry
22.1.0_5 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 22.1.0_4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-01 18:32:08
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
Also Listed In: python
License: GPLv3+
WWW:
https://wiki.fysik.dtu.dk/gpaw/
Description:
GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses plane-waves, atom-centered basis-functions or real-space uniform grids combined with multigrid methods.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

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:
  • ${PYTHON_PKGNAMEPREFIX}gpaw>0:science/py-gpaw@${PY_FLAVOR}
To install the port:
cd /usr/ports/science/py-gpaw/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-gpaw
  • pkg install py39-gpaw
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-gpaw listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py39-gpaw
Package flavors (<flavor>: <package>)
  • py39: py39-gpaw
distinfo:
TIMESTAMP = 1642067411 SHA256 (gpaw-22.1.0.tar.gz) = 2d2509e9e4b23205f5576ddfd1b0e9d9ac8cea1cf80ae1216af29513bd3cc42a SIZE (gpaw-22.1.0.tar.gz) = 1625694

Packages (timestamps in pop-ups are UTC):
py39-gpaw
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-22.1.0_5------
FreeBSD:13:quarterly-22.1.0_5------
FreeBSD:14:latest--------
FreeBSD:14:quarterly-22.1.0_5------
FreeBSD:15:latest-22.1.0_5n/a-n/a---
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
  2. gettext-runtime>=0.22_1 : devel/gettext-runtime
  3. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  4. python3.9 : lang/python39
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. py39-ase>0 : science/py-ase@py39
  2. py39-matplotlib>0 : math/py-matplotlib@py39
  3. py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
  4. py39-scipy>=0 : science/py-scipy@py39
  5. gpaw-setups>0 : science/gpaw-setups
  6. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  7. python3.9 : lang/python39
Library dependencies:
  1. libblas.so : math/blas
  2. libmpich.so : net/mpich
  3. libopenblas.so : math/openblas
  4. libxc.so : science/libxc
  5. libintl.so : devel/gettext-runtime
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_py-gpaw
USES:
gettext-runtime localbase python shebangfix
pkg-message:
For install:
You installed GPAW, the system for DFT computations in quantum chemistry. In order to use this package you most likely need to also install science/gpaw-setups that contains data files for electronic configurations for many elements of the periodic table.
Master Sites:
Expand this list (2 items)
Collapse this list.
  1. https://files.pythonhosted.org/packages/source/g/gpaw/
  2. https://pypi.org/packages/source/g/gpaw/
Collapse this list.

There are no commits on branch 2022Q3 for this port