| Port details |
- mp2d Program for calculating the MP2D dispersion energy
- f20190610 science
 =2      f20190610Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-12-07 12:09:21
- Last Update: 2022-12-07 12:04:25
- Commit Hash: 7a26105
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- License: MIT
- WWW:
- https://github.com/Chandemonium/MP2D
- 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
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/mp2d/ && make install clean
- To add the package, run one of these commands:
- pkg install science/mp2d
- pkg install mp2d
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: mp2d
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1670414281
SHA256 (Chandemonium-MP2D-f20190610-c6c7f86_GH0.tar.gz) = 57c4f15a9bb2e862dd173b944b50a9b389f9d9fda7c5294f44c28663ab045946
SIZE (Chandemonium-MP2D-f20190610-c6c7f86_GH0.tar.gz) = 28292
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- cmake : devel/cmake-core
- ninja : devel/ninja
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_mp2d
- USES:
- cmake:testing
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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