BSD Portsscience/bagel 1.2.2.147 FreeBSD
Brilliantly Advanced General Electronic-structure Library
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
db8a20e23f- License
- GPLv3
- Categories
- science
- Package size
- 33809.2 KiB, 125576.3 KiB installed
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.
Install
Binary package:
pkg install bagelFrom the ports tree:
cd /usr/ports/science/bagel/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= bagel>0:science/bagel
LIB_DEPENDS= libbagel.so:science/bagelPackages
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 | 1.2.2.147 | 1.2.2.147 | - | - | - |
| FreeBSD:14:quarterly | 1.2.2.132_21 | 1.2.2.132_21 | n/a | - | - |
| FreeBSD:15:latest | 1.2.2.147 | 1.2.2.147 | n/a | - | - |
| FreeBSD:15:quarterly | 1.2.2.132_21 | 1.2.2.132_21 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 1.2.2.147 | 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.
Library 1
libboost_serialization.so: devel/boost-libs
Test 1
cblas>0: math/cblas
The full lists below include those, and their dependencies in turn.
Build dependencies 35
- archivers/liblz4
- archivers/zstd
- devel/autoconf
- devel/autoconf-switch
- devel/automake
- devel/binutils
- devel/boost-libs
- devel/gettext-runtime
- devel/gmake
- devel/hwloc2
- devel/icu
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libffi
- devel/libpciaccess
- devel/libtool
- devel/m4
- devel/readline
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- math/scalapack
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/libxc
- textproc/expat2
- textproc/libxml2
Run dependencies 29
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/boost-libs
- devel/gettext-runtime
- devel/hwloc2
- devel/icu
- devel/json-c
- devel/level-zero
- devel/libepoll-shim
- devel/libffi
- devel/libpciaccess
- devel/readline
- lang/gcc14
- lang/perl5.42
- lang/python312
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- math/scalapack
- misc/hwdata
- net/libfabric
- net/mpich
- print/indexinfo
- science/libxc
- textproc/expat2
- textproc/libxml2
No port depends on this one.
Configuration
Options name: science_bagel
| Option | Default | Description |
|---|---|---|
| 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 |
- USES
- autoreconf blaslapack:openblas compiler:c++11-lang fortran gmake libtool localbase python:build
- Service scripts
- none
Files
pkg-plist 63
- bin/BAGEL
- include/bagel.h
- lib/libbagel.so
- lib/libbagel.so.0
- lib/libbagel.so.0.0.0
- share/bagel/3-21g.json
- share/bagel/6-31g.json
- share/bagel/ano-rcc.json
- share/bagel/aug-cc-pcv5z.json
- share/bagel/aug-cc-pcvdz-dk.json
- share/bagel/aug-cc-pcvdz.json
- share/bagel/aug-cc-pcvqz-dk.json
- share/bagel/aug-cc-pcvqz.json
- share/bagel/aug-cc-pcvtz-dk.json
- share/bagel/aug-cc-pcvtz.json
- share/bagel/aug-cc-pv5z.json
- share/bagel/aug-cc-pv6z.json
- share/bagel/aug-cc-pvdz.json
- share/bagel/aug-cc-pvqz.json
- share/bagel/aug-cc-pvtz.json
- share/bagel/aug-cc-pwcv5z.json
- share/bagel/aug-cc-pwcvdz.json
- share/bagel/aug-cc-pwcvqz.json
- share/bagel/aug-cc-pwcvtz.json
- share/bagel/cc-pcv5z.json
- share/bagel/cc-pcvdz.json
- share/bagel/cc-pcvqz.json
- share/bagel/cc-pcvtz.json
- share/bagel/cc-pv5z-jkfit.json
- share/bagel/cc-pv5z-ri.json
- share/bagel/cc-pv5z.json
- share/bagel/cc-pv6z.json
- share/bagel/cc-pvdz-dk.json
- share/bagel/cc-pvdz-jkfit.json
- share/bagel/cc-pvdz-ri.json
- share/bagel/cc-pvdz.json
- share/bagel/cc-pvqz-jkfit.json
- share/bagel/cc-pvqz-ri.json
- share/bagel/cc-pvqz.json
- share/bagel/cc-pvtz-dk.json
- share/bagel/cc-pvtz-jkfit.json
- share/bagel/cc-pvtz-ri.json
- share/bagel/cc-pvtz.json
- share/bagel/complete.json
- share/bagel/d-aug-cc-pv5z.json
- share/bagel/d-aug-cc-pvdz.json
- share/bagel/d-aug-cc-pvqz.json
- share/bagel/d-aug-cc-pvtz.json
- share/bagel/def2-SVP-2c-ecp.json
- share/bagel/def2-SVP-ecp.json
- share/bagel/ecp10mdf.json
- share/bagel/ecp28mdf.json
- share/bagel/ecp46mdf.json
- share/bagel/ecp60mdf.json
- share/bagel/ecp78mdf.json
- share/bagel/lanl2dz-ecp.json
- share/bagel/qzvpp-jkfit.json
- share/bagel/qzvpp.json
- share/bagel/sto-3g.json
- share/bagel/svp-jkfit.json
- share/bagel/svp.json
- share/bagel/tzvpp-jkfit.json
- share/bagel/tzvpp.json
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| qsimulate-open-bagel-v1.2.2-147-gad8c7c89e_GH0.tar.gz | 3.5670548e+07 | 2842995488f32c72815d1ac981d0e491e9bd1f568d5eebd0aa663184a75ea6aa |