| Port details on branch 2022Q2 |
- bagel Brilliantly Advanced General Electronic-structure Library
- 1.2.2.132_9 science
 =0      1.2.2.132_9Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-25 18:11:49
- Last Update: 2024-02-13 14:44:22
- Commit Hash: db61653
- License: GPLv3
- WWW:
- https://nubakery.org/
- Description:
- BAGEL is a parallel electronic-structure program licensed under the GNU General
Public License.
BAGEL is intended for use by researchers performing quantum chemistry
computations.
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- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/bagel/ && make install clean
- To add the package, run one of these commands:
- pkg install science/bagel
- pkg install bagel
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: bagel
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1655961216
SHA256 (qsimulate-open-bagel-v1.2.2-132-g2955e4d1a_GH0.tar.gz) = 15789ea304d28cd62203973772e198b80846bb1fa8d6c148289d6471abb26fcf
SIZE (qsimulate-open-bagel-v1.2.2-132-g2955e4d1a_GH0.tar.gz) = 35668444
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:
-
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- python3.9 : lang/python39
- as : devel/binutils
- autoconf>=2.71 : devel/autoconf
- automake>=1.16.5 : devel/automake
- libtoolize : devel/libtool
- Test dependencies:
-
- cblas>0 : math/cblas
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- Library dependencies:
-
- libboost_serialization.so : devel/boost-libs
- libxc.so : science/libxc
- libmpicxx.so : net/mpich
- libscalapack.so : math/scalapack
- libopenblas.so : math/openblas
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for bagel-1.2.2.132_9:
LIBXC=on: Build DFT with libxc
MPI=on: MPI (Message Passing Interface) support
SCALAPACK=on: Use ScaLapack library for parallelized linear algebra
SMITH=on: Compile SMITH generated code
===> Use 'make config' to modify these settings
- Options name:
- science_bagel
- USES:
- autoreconf blaslapack:openblas compiler:c++11-lang fortran gmake libtool localbase python:build
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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