science/xtb 6.7.1
Semiempirical Extended Tight-Binding Program Package
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
52e70e5827- License
- GPLv3
- Categories
- science
Description
Semiempirical Extended Tight-Binding Program Package
xtb implements a variety of semiempirical, tight-binding, and force field methods for computational chemistry and materials science.
Install
As a binary package — by origin, or by package name:
pkg install science/xtb
pkg install xtbFrom the ports tree:
cd /usr/ports/science/xtb/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= xtb>0:science/xtb
LIB_DEPENDS= libxtb.so:science/xtbPackages
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 | - | 6.7.1 | - | - | 6.7.1 |
| FreeBSD:14:quarterly | - | 6.7.1 | n/a | - | 6.7.1 |
| FreeBSD:15:latest | - | 6.7.1 | n/a | - | 6.5.1_4 |
| FreeBSD:15:quarterly | - | 6.7.1 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 6.7.1 | 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
test-drive>0: devel/test-drive
Library 1
libmctc-lib.so: science/mctc-lib
Test 1
test-drive>0: devel/test-drive
The full lists below include those, and their dependencies in turn.
All build dependencies 20
All run dependencies 10
No port depends on this one.
Configuration
No options to configure.
- USES
- cmake:testing fortran blaslapack:openblas
- Service scripts
- none
Files
pkg-plist 21
- bin/xtb
- include/xtb.h
- lib/cmake/xtb/Findcpcmx.cmake
- lib/cmake/xtb/Findmctc-lib.cmake
- lib/cmake/xtb/Findtblite.cmake
- lib/cmake/xtb/Findtest-drive.cmake
- lib/cmake/xtb/xtb-config-version.cmake
- lib/cmake/xtb/xtb-config.cmake
- lib/cmake/xtb/xtb-targets-.cmake
- lib/cmake/xtb/xtb-targets.cmake
- lib/cmake/xtb/xtb-utils.cmake
- lib/libxtb.a
- lib/libxtb.so
- lib/libxtb.so.6
- lib/libxtb.so.6.7.1
- share/xtb/.param_gfnff.xtb
- share/xtb/param_gfn0-xtb.txt
- share/xtb/param_gfn1-si-xtb.txt
- share/xtb/param_gfn1-xtb.txt
- share/xtb/param_gfn2-xtb.txt
- share/xtb/param_ipea-xtb.txt
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| grimme-lab-xtb-v6.7.1_GH0.tar.gz | 1.679314e+06 | 52506a689147cdb4695bf1c666158b6d6d6b31726fecaa5bf53af7f4e3f3d20d |