science/openmolcas 26.06 FreeBSD
Quantum chemistry software package
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
0e7500c996- License
- LGPL21
- Categories
- science
- Package size
- 46541.3 KiB, 1502863.7 KiB installed
Description
OpenMolcas is a quantum chemistry software package.
The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.
Install
Binary package:
pkg install openmolcasFrom the ports tree:
cd /usr/ports/science/openmolcas/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= openmolcas>0:science/openmolcasPackages
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 | 26.06 | 26.06 | - | - | - |
| FreeBSD:14:quarterly | 26.06 | 26.06 | n/a | - | - |
| FreeBSD:15:latest | 26.06 | 26.06 | n/a | - | - |
| FreeBSD:15:quarterly | 26.06 | 26.06 | n/a | n/a | n/a |
| FreeBSD:16:latest | 26.06 | 26.06 | 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}pyparsing>0: devel/py-pyparsingchemps2: science/chemps2
Library 6
libgmp.so: math/gmplibhdf5.so: science/hdf5libmpfr.so: math/mpfrlibsz.so: science/libaeclibwignernj.so: science/libwignernjlibxc.so: science/libxc
The full lists below include those, and their dependencies in turn.
Build dependencies 31
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/cmake-core
- devel/gettext-runtime
- devel/jsoncpp
- devel/libffi
- devel/libunistring
- devel/libuv
- devel/py-pyparsing
- devel/readline
- dns/libidn2
- lang/gcc14
- lang/python312
- math/flint
- math/gf2x
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/ntl
- math/openblas
- ports-mgmt/pkg
- print/indexinfo
- science/chemps2
- science/hdf5
- science/libaec
- science/libwignernj
- science/libxc
- security/rhash
- textproc/expat2
Run dependencies 22
No port depends on this one.
Configuration
No options to configure.
- USES
- cmake:testing fortran python shebangfix
- Service scripts
- none
Files
pkg-plist 218
- share/openmolcas/.molcashome
- share/openmolcas/.molcasversion
- share/openmolcas/basis_library/3-21G
- share/openmolcas/basis_library/4-31G
- share/openmolcas/basis_library/5-21G
- share/openmolcas/basis_library/6-311Gpp
- share/openmolcas/basis_library/6-31G
- share/openmolcas/basis_library/6-31Gpp
- share/openmolcas/basis_library/AHLRICHS_VDZ
- share/openmolcas/basis_library/AHLRICHS_VTZ
- share/openmolcas/basis_library/AIMP.README
- share/openmolcas/basis_library/ANO-DK3
- share/openmolcas/basis_library/ANO-L
- share/openmolcas/basis_library/ANO-ORCA
- share/openmolcas/basis_library/ANO-R
- share/openmolcas/basis_library/ANO-RCC
- share/openmolcas/basis_library/ANO-RCC.README
- share/openmolcas/basis_library/ANO-S
- share/openmolcas/basis_library/ANO-XS
- share/openmolcas/basis_library/AUG-CC-PV5Z
- share/openmolcas/basis_library/AUG-CC-PV6Z
- share/openmolcas/basis_library/AUG-CC-PVDZ
- share/openmolcas/basis_library/AUG-CC-PVQZ
- share/openmolcas/basis_library/AUG-CC-PVTZ
- share/openmolcas/basis_library/AUG-PC-0
- share/openmolcas/basis_library/AUG-PC-1
- share/openmolcas/basis_library/AUG-PC-2
- share/openmolcas/basis_library/AUG-PC-3
- share/openmolcas/basis_library/AUG-PC-4
- share/openmolcas/basis_library/CC-PV5Z
- share/openmolcas/basis_library/CC-PV5Z-DK
- share/openmolcas/basis_library/CC-PVDZ
- share/openmolcas/basis_library/CC-PVDZ-DK
- share/openmolcas/basis_library/CC-PVQZ
- share/openmolcas/basis_library/CC-PVQZ-DK
- share/openmolcas/basis_library/CC-PVTZ
- share/openmolcas/basis_library/CC-PVTZ-DK
- share/openmolcas/basis_library/CC-PWCV5Z-DK
- share/openmolcas/basis_library/CC-PWCVQZ-DK
- share/openmolcas/basis_library/CC-PWCVTZ-DK
- share/openmolcas/basis_library/CG-AIMP
- share/openmolcas/basis_library/DEF-SV-P
- share/openmolcas/basis_library/DEF-SVP
- share/openmolcas/basis_library/DEF-TZVP
- share/openmolcas/basis_library/DEF2-SVP
- share/openmolcas/basis_library/DEF2-TZVP
- share/openmolcas/basis_library/DEF2-TZVPP
- share/openmolcas/basis_library/EMB-AIMP
- share/openmolcas/basis_library/JGAUSS-DZP
- share/openmolcas/basis_library/LANL2DZ
- share/openmolcas/basis_library/LANL2DZ_NL
- share/openmolcas/basis_library/MCP-AQZP
- share/openmolcas/basis_library/MCP-ATZP
- share/openmolcas/basis_library/MCP-DZP
- share/openmolcas/basis_library/MCP-QZP
- share/openmolcas/basis_library/MCP-TZP
- share/openmolcas/basis_library/MUONIC
- share/openmolcas/basis_library/NP-AIMP
- share/openmolcas/basis_library/NR-AIMP
- share/openmolcas/basis_library/PC-0
- share/openmolcas/basis_library/PC-1
- share/openmolcas/basis_library/PC-2
- share/openmolcas/basis_library/PC-3
- share/openmolcas/basis_library/PC-4
- share/openmolcas/basis_library/QRPLIB
- share/openmolcas/basis_library/RAF-R
- share/openmolcas/basis_library/RYDBERG
- share/openmolcas/basis_library/SADLEJ_PVTZ
- share/openmolcas/basis_library/SARC2-QZVP-DKH2
- share/openmolcas/basis_library/STO-3G
- share/openmolcas/basis_library/STUTTGART
- share/openmolcas/basis_library/STUTTGART_NL
- share/openmolcas/basis_library/basis.tbl
- share/openmolcas/basis_library/basistype.tbl
- share/openmolcas/basis_library/c_Basis/DEF-SV-P
- share/openmolcas/basis_library/c_Basis/DEF-SVP
- share/openmolcas/basis_library/c_Basis/DEF-TZVP
- share/openmolcas/basis_library/c_Basis/basis.tbl
- share/openmolcas/basis_library/c_Basis/basistype.tbl
- share/openmolcas/basis_library/c_Basis/trans.tbl
- share/openmolcas/basis_library/j_Basis/DEF-SV-P
- share/openmolcas/basis_library/j_Basis/DEF-SVP
- share/openmolcas/basis_library/j_Basis/DEF-TZVP
- share/openmolcas/basis_library/j_Basis/basis.tbl
- share/openmolcas/basis_library/j_Basis/basistype.tbl
- share/openmolcas/basis_library/j_Basis/trans.tbl
- share/openmolcas/basis_library/jk_Basis/CC-PVTZ
- share/openmolcas/basis_library/jk_Basis/DEF-SV-P
- share/openmolcas/basis_library/jk_Basis/DEF-SVP
- share/openmolcas/basis_library/jk_Basis/basis.tbl
- share/openmolcas/basis_library/jk_Basis/basistype.tbl
- share/openmolcas/basis_library/jk_Basis/trans.tbl
- share/openmolcas/basis_library/trans.tbl
- share/openmolcas/bin/alaska.exe
- share/openmolcas/bin/averd.exe
- share/openmolcas/bin/caspt2.exe
- share/openmolcas/bin/casvb.exe
- share/openmolcas/bin/ccsdt.exe
- share/openmolcas/bin/chcc.exe
- share/openmolcas/bin/cht3.exe
The first 100 are listed.
distinfo 5
| File | Size | SHA256 |
|---|---|---|
| Reference-LAPACK-lapack-04b044e0_GH0.tar.gz | 7.933907e+06 | eaa79da0208c117fb0c4a68794f5cd90c716e63db3665d0326c274a5f18ddce8 |
| ilyak-libefp-7d1ff5fd_GH0.tar.gz | 5.614915e+06 | 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868 |
| mcodev31-libmsym-0e0b831c_GH0.tar.gz | 87556 | 6572464002360c455285db4423d208f7ca92ab4268ee425dcb7168fe2d02e948 |
| libwfa-libwfa-a44aca25_GH0.tar.gz | 195820 | a2452b16246fce3ad1dee33d4f48e5c1c2e385bfa579af06f0441326ea66d973 |
| Molcas-OpenMolcas-8355057f32d65706a35996b5ab07cac2962bb728_GL0.tar.gz | 4.4512507e+07 | 1c39984d20e3a4c5041586d96c9cfebc18103bc6e4ddb707c2d4e304b934236a |