BSD Portsscience/dirac 26.1_1 FreeBSD
Program for atomic & molecular relativistic all-electron calculations
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
a8ce2f40d5- License
- LGPL21
- Categories
- science
- Package size
- 35958.6 KiB, 128904.7 KiB installed
Description
The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/dirac | 26.1_1 |
| DragonFly | science/dirac | 22.0_3 |
Install
Binary package:
pkg install dirac-quantum-chemistry-softwareFrom the ports tree:
cd /usr/ports/science/dirac/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= dirac-quantum-chemistry-software>0:science/diracPackages
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 | 26.1_1 | 26.1_1 | - | - | - |
| FreeBSD:14:quarterly | 26.1 | 26.1 | n/a | - | - |
| FreeBSD:15:latest | 26.1_1 | 26.1_1 | n/a | - | - |
| FreeBSD:15:quarterly | 26.1 | 26.1 | n/a | n/a | n/a |
| FreeBSD:16:latest | 26.1 | 26.1_1 | 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 1
gmake: devel/gmake
Library 3
libblas.so: math/blaslibhdf5.so: science/hdf5liblapack.so: math/lapack
Test 1
bash: shells/bash
The full lists below include those, and their dependencies in turn.
Build dependencies 26
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/gmake
- devel/jsoncpp
- devel/libffi
- devel/libunistring
- devel/libuv
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/python312
- math/blas
- math/gmp
- math/lapack
- math/mpc
- math/mpdecimal
- math/mpfr
- ports-mgmt/pkg
- print/indexinfo
- science/hdf5
- science/libaec
- security/rhash
- textproc/expat2
Run dependencies 18
Required by 1
Configuration
No options to configure.
- USES
- cmake:noninja,testing fortran localbase:ldflags python shebangfix
- Service scripts
- none
Files
pkg-plist 1123
- bin/diag-dirac
- bin/dirac_data-dirac
- bin/dirac_mointegral_export-dirac
- bin/merge_amf-dirac
- bin/mx2fit-dirac
- bin/pam-dirac
- bin/pcmo_addlabels-dirac
- bin/polfit-dirac
- bin/process_schema-dirac
- bin/twofit-dirac
- bin/vibcal-dirac
- include/adc_cfg.mod
- include/adc_fano.mod
- include/adc_fano_complex_routines.mod
- include/adc_fano_diag.mod
- include/adc_fano_exchange.mod
- include/adc_fano_matmul.mod
- include/adc_fano_real_routines.mod
- include/adc_fano_routines.mod
- include/adc_mat.mod
- include/allocator_cfg.mod
- include/allocator_eh.mod
- include/allocator_internal_a_1d_c.mod
- include/allocator_internal_a_1d_fixed_i8_indexing_r.mod
- include/allocator_internal_a_1d_i.mod
- include/allocator_internal_a_1d_r.mod
- include/allocator_internal_a_2d_c.mod
- include/allocator_internal_a_2d_i.mod
- include/allocator_internal_a_2d_r.mod
- include/allocator_internal_a_3d_c.mod
- include/allocator_internal_a_3d_i.mod
- include/allocator_internal_a_3d_r.mod
- include/allocator_internal_a_4d_c.mod
- include/allocator_internal_a_4d_i.mod
- include/allocator_internal_a_4d_r.mod
- include/allocator_internal_init_c.mod
- include/allocator_internal_init_i.mod
- include/allocator_internal_init_r.mod
- include/allocator_internal_p_1d_c.mod
- include/allocator_internal_p_1d_fixed_i8_indexing_r.mod
- include/allocator_internal_p_1d_i.mod
- include/allocator_internal_p_1d_r.mod
- include/allocator_internal_p_2d_c.mod
- include/allocator_internal_p_2d_i.mod
- include/allocator_internal_p_2d_r.mod
- include/allocator_internal_p_3d_c.mod
- include/allocator_internal_p_3d_i.mod
- include/allocator_internal_p_3d_r.mod
- include/allocator_internal_p_4d_c.mod
- include/allocator_internal_p_4d_i.mod
- include/allocator_internal_p_4d_r.mod
- include/allocator_legacy_dirac.mod
- include/allocator_parameters.mod
- include/allocator_track_if.mod
- include/amfdatastorage.mod
- include/amfh5interface.mod
- include/aobasis_collector.mod
- include/basis_set_datatypes.mod
- include/carsph.mod
- include/checkpoint.mod
- include/codata.mod
- include/common_matvec_op.mod
- include/conf_parameters.mod
- include/contraction.mod
- include/davidson.mod
- include/dcaspt2_restart_file.mod
- include/debug_mem_alloc.mod
- include/density_eval.mod
- include/dft_cfg.mod
- include/diagmod.mod
- include/dirac_ao_eval.mod
- include/dirac_ao_eval_sub.mod
- include/dirac_cfg.mod
- include/dirac_conmat_lao_utils.mod
- include/dirac_dmat_factory.mod
- include/dirac_interface.mod
- include/dirac_mo.mod
- include/dirac_mointegral_export.mod
- include/dirac_rsp_utils.mod
- include/dircmo.mod
- include/dirx2c.mod
- include/dyn_string.mod
- include/electrostatic_potential.mod
- include/eom_density.mod
- include/eom_driver.mod
- include/f77_work_interface.mod
- include/fde_cfg.mod
- include/fde_data.mod
- include/fde_dirac_matrices_integration.mod
- include/fde_evaluators_dirac.mod
- include/fde_export_data.mod
- include/fde_input.mod
- include/fde_input_dirac.mod
- include/fde_io.mod
- include/fde_mag_cfg.mod
- include/fde_max_block_length.mod
- include/fde_mod.mod
- include/fde_mpi.mod
- include/fde_nadd_derv.mod
- include/fde_types.mod
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| dirac-v26.1.tar.bz2 | 7.4382632e+07 | fdffaadc45c96a75e8b88fd28565dce5a0afcce80f2e27b9c35fbab4c13de443 |