Port details on branch 2022Q3 |
- py-gau2grid Fast computation of a gaussian and its derivative on a grid
- 2.0.7_2 math =0 2.0.7_2Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-07 09:18:40
- Last Update: 2023-07-14 15:01:27
- Commit Hash: 1b33f997
- Also Listed In: python
- License: BSD3CLAUSE
- WWW:
- https://github.com/dgasmith/gau2grid
- Description:
- gau2grid is a python-generated C library for vectorized computation of grid to
gaussian collocation matrices.
The core of gau2grid is generating the collocation matrices between a real space
grid and a gaussian basis set expanded to a given angular momenta.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}gau2grid>0:math/py-gau2grid@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/math/py-gau2grid/ && make install clean
- To add the package, run one of these commands:
- pkg install math/py-gau2grid
- pkg install py39-gau2grid
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-gau2grid listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-gau2grid
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1610499660
SHA256 (dgasmith-gau2grid-v2.0.7_GH0.tar.gz) = 66e7205646e1e3685e5dd4eea8281fc92b0b8b45ce97ae24b72a09e15a3fd62f
SIZE (dgasmith-gau2grid-v2.0.7_GH0.tar.gz) = 84398
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-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- cmake : devel/cmake-core
- cmake : devel/cmake-core
- ninja : devel/ninja
- python3.9 : lang/python39
- Test dependencies:
-
- py39-pytest>0 : devel/py-pytest@py39
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- python3.9 : lang/python39
- This port is required by:
- for Build
-
- science/psi4
- for Run
-
- science/psi4
Configuration Options:
- ===> The following configuration options are available for py39-gau2grid-2.0.7_2:
NATIVE=off: Use native optimization (-march=native)
===> Use 'make config' to modify these settings
- Options name:
- math_py-gau2grid
- USES:
- cmake compiler:c11 python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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