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Port details
mp2d Program for calculating the MP2D dispersion energy
f20190610 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout f20190610Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-12-07 12:09:21
Last Update: 2022-12-07 12:04:25
Commit Hash: 7a26105
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
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (10 items)
Collapse this list.
  1. /usr/local/share/licenses/mp2d-f20190610/catalog.mk
  2. /usr/local/share/licenses/mp2d-f20190610/LICENSE
  3. /usr/local/share/licenses/mp2d-f20190610/MIT
  4. bin/mp2d
  5. share/mp2d/CKS_C6coeffs.dat
  6. share/mp2d/UCHF_C6coeffs.dat
  7. share/mp2d/mp2d_parameters.dat
  8. @owner
  9. @group
  10. @mode
Collapse this list.
Dependency lines:
  • mp2d>0:science/mp2d
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):
mp2d
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latestf20190610f20190610-f20190610f20190610---
FreeBSD:13:quarterlyf20190610f20190610f20190610f20190610f20190610f20190610f20190610f20190610
FreeBSD:14:latestf20190610f20190610f20190610f20190610f20190610f20190610-f20190610
FreeBSD:14:quarterlyf20190610f20190610-f20190610f20190610f20190610f20190610f20190610
FreeBSD:15:latestf20190610f20190610n/af20190610n/af20190610f20190610f20190610
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. 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:
Expand this list (1 items)
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  1. https://codeload.github.com/Chandemonium/MP2D/tar.gz/c6c7f86?dummy=/
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Number of commits found: 1

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
f20190610
07 Dec 2022 12:04:25
commit hash: 7a261059bb57625c890a0444e77c28bbfd67153ccommit hash: 7a261059bb57625c890a0444e77c28bbfd67153ccommit hash: 7a261059bb57625c890a0444e77c28bbfd67153ccommit hash: 7a261059bb57625c890a0444e77c28bbfd67153c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/mp2d: New port: Program for calculating the MP2D dispersion energy

Number of commits found: 1