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Port details
latte Quantum chemistry: Density functional tight binding molecular dynamics
1.2.1 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
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 31 Oct 2018 23:08:04
License: GPLv3
A molecular dynamics package based around self-consistent-charge density
functional tight binding theory.

Features:
* Forces computed at the SCC-DFTB level.
* Provides forces and the potential component of the total energy.
* Integrates the electronic degrees of freedom (XL) (provides charges).
* Solves the electronic structure of the system.
* Several solvers such as SP2, Truncated SP2, Chebyshev polynomial
  expansion, etc.

WWW: https://github.com/lanl/LATTE
SVNWeb : Homepage : PortsMon
    Pseudo-pkg-plist information, but much better, from make generate-plist
    Expand this list (7 items)
  1. lib/liblatte.so
  2. bin/LATTE_MPI_DOUBLE
  3. /usr/local/share/licenses/latte-1.2.1/catalog.mk
  4. /usr/local/share/licenses/latte-1.2.1/LICENSE
  5. /usr/local/share/licenses/latte-1.2.1/GPLv3
  6. @postexec /usr/sbin/service ldconfig restart > /dev/null
  7. @postunexec /usr/sbin/service ldconfig restart > /dev/null
  8. Collapse this list.

To install the port: cd /usr/ports/science/latte/ && make install clean
To add the package: pkg install latte

PKGNAME: latte

distinfo:

TIMESTAMP = 1540963082
SHA256 (lanl-LATTE-v1.2.1_GH0.tar.gz) = 343f28174365bd2185ff957038ac727d33659ef1bdf82f11af5603af3d943f2c
SIZE (lanl-LATTE-v1.2.1_GH0.tar.gz) = 6673701


NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:
  1. cmake : devel/cmake
  2. gfortran7 : lang/gcc7
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran7 : lang/gcc7
Library dependencies:
  1. libmpi.so : net/openmpi
  2. libomp.so : devel/openmp
  3. libopenblas.so : math/openblas

This port is required by:

for Libraries * - deleted ports are only shown under the This port is required by section. It was harder to do for the Required section. Perhaps later...
Configuration Options
===> The following configuration options are available for latte-1.2.1:
     DBCSR=off: Use distributed block compressed sparse row matrix library
     MPI=on: MPI (Message Passing Interface) support
     OPENMP=on: Parallel processing support via OpenMP
===> Use 'make config' to modify these settings

USES:
blaslapack:openblas cmake:outsource,noninja fortran shebangfix

Conflicts:
  • CONFLICTS_INSTALL:
    • latte-integrale
Master Sites:
  1. https://codeload.github.com/lanl/LATTE/tar.gz/v1.2.1?dummy=/

Number of commits found: 2

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
06 Dec 2018 05:57:36
Original commit files touched by this commit  1.2.1
Revision:486735
yuri search for other commits by this committer
New port: math/latte-integrale: Software for counting lattice points/integration
over convex polytopes
31 Oct 2018 23:05:37
Original commit files touched by this commit  1.2.1
Revision:483624
yuri search for other commits by this committer
New port: science/latte: Quantum chemistry: Density functional tight binding
molecular dynamics

Number of commits found: 2

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