BSD Portsmath/py-gau2grid 2.0.9 FreeBSD
Fast computation of a gaussian and its derivative on a grid
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
0e8add0163- License
- BSD3CLAUSE
- Categories
- math, python
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.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | math/py-gau2grid | 2.0.9 |
| DragonFly | math/py-gau2grid | 2.0.7_2 |
Install
Binary package:
pkg install py312-gau2gridFrom the ports tree:
cd /usr/ports/math/py-gau2grid/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= py312-gau2grid>0:math/py-gau2gridPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | - | 2.0.9 | - | 2.0.7_2 | 2.0.9 |
| FreeBSD:14:quarterly | - | 2.0.9 | n/a | 2.0.7_2 | 2.0.9 |
| FreeBSD:15:latest | - | 2.0.9 | n/a | 2.0.7_2 | 2.0.7_2 |
| FreeBSD:15:quarterly | - | 2.0.9 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 2.0.9 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 2
${PYTHON_PKGNAMEPREFIX}numpy>=1.16: math/py-numpycmake: devel/cmake-core
Runtime 1
${PYTHON_PKGNAMEPREFIX}numpy>=1.16: math/py-numpy
Test 1
${PYTHON_PKGNAMEPREFIX}pytest>0: devel/py-pytest
The full lists below include those, and their dependencies in turn.
Build dependencies 24
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/jsoncpp
- devel/libffi
- devel/libunistring
- devel/libuv
- devel/ninja
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- math/py-numpy
- ports-mgmt/pkg
- print/indexinfo
- security/rhash
- textproc/expat2
Run dependencies 16
Required by 1
Configuration
Options name: math_gau2grid
| Option | Default | Description |
|---|---|---|
| NATIVE | off | Use native optimization (-march=native) |
- USES
- cmake compiler:c11 python
- Service scripts
- none
Files
pkg-plist 21
- %%PYTHON_SITELIBDIR%%/gau2grid/RSH.py
- %%PYTHON_SITELIBDIR%%/gau2grid/__init__.py
- %%PYTHON_SITELIBDIR%%/gau2grid/_version.py
- %%PYTHON_SITELIBDIR%%/gau2grid/c_generator.py
- %%PYTHON_SITELIBDIR%%/gau2grid/c_pragma.py
- %%PYTHON_SITELIBDIR%%/gau2grid/c_util_generator.py
- %%PYTHON_SITELIBDIR%%/gau2grid/c_wrapper.py
- %%PYTHON_SITELIBDIR%%/gau2grid/codegen.py
- %%PYTHON_SITELIBDIR%%/gau2grid/docs_generator.py
- %%PYTHON_SITELIBDIR%%/gau2grid/extras.py
- %%PYTHON_SITELIBDIR%%/gau2grid/gg
- %%PYTHON_SITELIBDIR%%/gau2grid/order.py
- %%PYTHON_SITELIBDIR%%/gau2grid/python_reference.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/__init__.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/ref_basis.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/test_c_code.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/test_c_generator.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/test_helper.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/test_order.py
- %%PYTHON_SITELIBDIR%%/gau2grid/tests/test_rsh.py
- %%PYTHON_SITELIBDIR%%/gau2grid/utility.py
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| dgasmith-gau2grid-v2.0.9_GH0.tar.gz | 82540 | 7879bdddf3a52cd2a051086215977822bbe8d1af927fcf5b4fb0256a38b8a76c |