science/multicharge 0.5.0_1 FreeBSD
Electronegativity equilibration model for atomic partial charges
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- APACHE20
- Categories
- science
- Package size
- 301.8 KiB, 480.9 KiB installed
Description
Electronegativity equilibration models for atomic partial charges.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/multicharge | 0.5.0_1 |
| DragonFly | science/multicharge | 0.3.0_1 |
Install
Binary package:
pkg install multichargeFrom the ports tree:
cd /usr/ports/science/multicharge/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= multicharge>0:science/multicharge
LIB_DEPENDS= libmulticharge.so:science/multichargePackages
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 | 0.5.0_1 | 0.5.0_1 | - | 0.3.0_1 | 0.5.0_1 |
| FreeBSD:14:quarterly | 0.5.0_1 | 0.5.0_1 | n/a | 0.3.0_1 | 0.5.0_1 |
| FreeBSD:15:latest | 0.5.0_1 | 0.5.0_1 | n/a | 0.3.0_1 | 0.3.0_1 |
| FreeBSD:15:quarterly | 0.5.0_1 | 0.5.0_1 | n/a | n/a | n/a |
| FreeBSD:16:latest | 0.5.0_1 | 0.5.0_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
mstore>0: science/mstore
Library 2
libmctc-lib.so: science/mctc-liblibopenblas.so: math/openblas
The full lists below include those, and their dependencies in turn.
Build dependencies 20
Run dependencies 10
Required by 3
Configuration
No options to configure.
- USES
- cmake:testing fortran
- Service scripts
- none
Files
pkg-plist 30
- bin/multicharge
- include/multicharge/multicharge.mod
- include/multicharge/multicharge_blas.mod
- include/multicharge/multicharge_charge.mod
- include/multicharge/multicharge_ewald.mod
- include/multicharge/multicharge_lapack.mod
- include/multicharge/multicharge_model.mod
- include/multicharge/multicharge_model_cache.mod
- include/multicharge/multicharge_model_eeq.mod
- include/multicharge/multicharge_model_eeqbc.mod
- include/multicharge/multicharge_model_type.mod
- include/multicharge/multicharge_output.mod
- include/multicharge/multicharge_param.mod
- include/multicharge/multicharge_param_eeq2019.mod
- include/multicharge/multicharge_param_eeqbc2025.mod
- include/multicharge/multicharge_version.mod
- include/multicharge/multicharge_wignerseitz.mod
- lib/cmake/multicharge/Findcustom-blas.cmake
- lib/cmake/multicharge/Findcustom-lapack.cmake
- lib/cmake/multicharge/Findmctc-lib.cmake
- lib/cmake/multicharge/Findmstore.cmake
- lib/cmake/multicharge/multicharge-config-version.cmake
- lib/cmake/multicharge/multicharge-config.cmake
- lib/cmake/multicharge/multicharge-targets-.cmake
- lib/cmake/multicharge/multicharge-targets.cmake
- lib/cmake/multicharge/multicharge-utils.cmake
- lib/libmulticharge.so
- lib/libmulticharge.so.0
- lib/libmulticharge.so.0.5.0
- libdata/pkgconfig/multicharge.pc
distinfo 2
| File | Size | SHA256 |
|---|---|---|
| grimme-lab-multicharge-v0.5.0_GH0.tar.gz | 70088 | 6b137db34c89ab73f8cc8f2849db1679b2efa1fdec255cd77fca672d7fc8ea5c |
| dab74514e5af03aba9eb8a84a9f1028fe31756f4.patch | 3386 | c4c3cecf127787594c90e99b63738925db46aa849f71dc88483367bcb808bf77 |
Commit history 0
No commits in the history this site was built from.