BSD Portsscience/mp2d g20250131 FreeBSD
Program for calculating the MP2D dispersion energy
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- MIT
- Categories
- science
- Package size
- 37.7 KiB, 102.9 KiB installed
Description
MP2D is an open-source code (MIT license, see below) for calculating van der Waals dispersion for second-order Moller-Plesset pertubation theory. The calculation of the MP2D dispersion correction is analogous to MP2C: E_MP2D = E_MP2 - E_UCHF + E_CKS
The UCHF and CKS dispersion energies are calculated according to Grimme's D3 method. The CKS coefficients identical to those used in D3. The UCHF coefficients were calculated specifically for this work. Dispersion coefficients are currently available for the following elements: H, B, C, N, O, F, Ne, P, S, Cl, Ar, Br
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/mp2d | g20250131 |
| DragonFly | science/mp2d | f20190610 |
Install
Binary package:
pkg install mp2dFrom the ports tree:
cd /usr/ports/science/mp2d/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= mp2d>0:science/mp2dPackages
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 | g20250131 | g20250131 | f20190610 | f20190610 | g20250131 |
| FreeBSD:14:quarterly | g20250131 | g20250131 | n/a | f20190610 | g20250131 |
| FreeBSD:15:latest | g20250131 | g20250131 | n/a | f20190610 | f20190610 |
| FreeBSD:15:quarterly | g20250131 | g20250131 | n/a | n/a | n/a |
| FreeBSD:16:latest | g20250131 | g20250131 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
Build dependencies 15
No port depends on this one.
Configuration
No options to configure.
- USES
- cmake:testing
- Service scripts
- none
Files
pkg-plist 4
- bin/mp2d
- share/mp2d/CKS_C6coeffs.dat
- share/mp2d/UCHF_C6coeffs.dat
- share/mp2d/mp2d_parameters.dat
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| Chandemonium-MP2D-g20250131-cf2213f_GH0.tar.gz | 36989 | 3505c55f42d5d4210f36c46e547c9f8bf8639a6ddc735e8ffe59ef5ab9bd44eb |
Commit history 0
No commits in the history this site was built from.