BSD Ports

science/libint2-psi4 0.1.2.8.1_2 FreeBSD

Evaluate the integrals in modern atomic and molecular theory (psi4)

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
Last update
Commit
97a84ef467
License
GPLv3
Categories
science

Description

Libint is a library for evaluating ERI (electron replusion integral) over Cartesian Gaussian fuctions for modern atomic and molecular theory.

Spacial build for science/psi4.

Install

Binary package:

pkg install libint2-psi4

From the ports tree:

cd /usr/ports/science/libint2-psi4/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	libint2-psi4>0:science/libint2-psi4
LIB_DEPENDS=	libint2.so:science/libint2-psi4

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest-0.1.2.8.1_2---
FreeBSD:14:quarterly-0.1.2.8.1_2n/a--
FreeBSD:15:latest-0.1.2.8.1_2n/a--
FreeBSD:15:quarterly-0.1.2.8.1_2n/an/an/a
FreeBSD:16:latest-0.1.2.8.1_2n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

As this port's Makefile names them.

Library 2

The full lists below include those, and their dependencies in turn.

Build dependencies 27
Run dependencies 6
Required by 1

Configuration

No options to configure.

USES
cmake:testing eigen:3 python:build
Service scripts
none
Conflicts with
libint2

Files

pkg-plist 146
  • include/libint2.h
  • include/libint2.hpp
  • include/libint2/atom.h
  • include/libint2/basis.h
  • include/libint2/boys.h
  • include/libint2/boys_cheb7.h
  • include/libint2/boys_cheb7_v2.h
  • include/libint2/boys_fwd.h
  • include/libint2/braket.h
  • include/libint2/cartesian.h
  • include/libint2/cgshell_ordering.h
  • include/libint2/cgshellinfo.h
  • include/libint2/chemistry/elements.h
  • include/libint2/chemistry/sto3g_atomic_density.h
  • include/libint2/config.h
  • include/libint2/cxxapi.h
  • include/libint2/deriv_iter.h
  • include/libint2/deriv_map.h
  • include/libint2/diis.h
  • include/libint2/engine.h
  • include/libint2/engine.impl.h
  • include/libint2/initialize.h
  • include/libint2/lcao/1body.h
  • include/libint2/lcao/molden.h
  • include/libint2/libint2_iface.h
  • include/libint2/libint2_params.h
  • include/libint2/libint2_types.h
  • include/libint2/numeric.h
  • include/libint2/shell.h
  • include/libint2/shgshell_ordering.h
  • include/libint2/solidharmonics.h
  • include/libint2/statics_definition.h
  • include/libint2/tenno_cheb.h
  • include/libint2/tenno_cheb15.h
  • include/libint2/tensor.h
  • include/libint2/util/any.h
  • include/libint2/util/array_adaptor.h
  • include/libint2/util/compressed_pair.h
  • include/libint2/util/configuration.h
  • include/libint2/util/cxxstd.h
  • include/libint2/util/deprecated.h
  • include/libint2/util/generated/libint2_iface.h
  • include/libint2/util/generated/libint2_params.h
  • include/libint2/util/generated/libint2_types.h
  • include/libint2/util/intpart_iter.h
  • include/libint2/util/intrinsic_operations.h
  • include/libint2/util/intrinsic_types.h
  • include/libint2/util/memory.h
  • include/libint2/util/singleton.h
  • include/libint2/util/small_vector.h
  • include/libint2/util/timer.h
  • include/libint2/util/type_traits.h
  • include/libint2/util/vector.h
  • include/libint2/util/vector_ppc.h
  • include/libint2/util/vector_x86.h
  • lib/cmake/libint2/libint2-config-version.cmake
  • lib/cmake/libint2/libint2-config.cmake
  • lib/cmake/libint2/libint2-targets-.cmake
  • lib/cmake/libint2/libint2-targets.cmake
  • lib/libint2.so
  • libdata/pkgconfig/libint2.pc
  • share/libint/%%VER%%/basis/3-21g.g94
  • share/libint/%%VER%%/basis/6-311g**.g94
  • share/libint/%%VER%%/basis/6-311gss.g94
  • share/libint/%%VER%%/basis/6-31g**.g94
  • share/libint/%%VER%%/basis/6-31g*.g94
  • share/libint/%%VER%%/basis/6-31g.g94
  • share/libint/%%VER%%/basis/6-31gs.g94
  • share/libint/%%VER%%/basis/6-31gss.g94
  • share/libint/%%VER%%/basis/ano-rcc.g94
  • share/libint/%%VER%%/basis/aug-cc-pv5z-cabs.g94
  • share/libint/%%VER%%/basis/aug-cc-pvdz-cabs.g94
  • share/libint/%%VER%%/basis/aug-cc-pvqz-cabs.g94
  • share/libint/%%VER%%/basis/aug-cc-pvtz-cabs.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pv5z-jkfit.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pv5z-ri.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pv5z.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pv6z-ri.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pv6z.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvdz-jkfit.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvdz-ri.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvdz.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvqz-jkfit.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvqz-ri.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvqz.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvtz-jkfit.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvtz-ri.g94
  • share/libint/%%VER%%/basis/augmentation-cc-pvtz.g94
  • share/libint/%%VER%%/basis/cc-pv5z-jkfit.g94
  • share/libint/%%VER%%/basis/cc-pv5z-ri.g94
  • share/libint/%%VER%%/basis/cc-pv5z.g94
  • share/libint/%%VER%%/basis/cc-pv6z-ri.g94
  • share/libint/%%VER%%/basis/cc-pv6z.g94
  • share/libint/%%VER%%/basis/cc-pvdz-f12-cabs.g94
  • share/libint/%%VER%%/basis/cc-pvdz-f12.g94
  • share/libint/%%VER%%/basis/cc-pvdz-jkfit.g94
  • share/libint/%%VER%%/basis/cc-pvdz-ri.g94
  • share/libint/%%VER%%/basis/cc-pvdz.g94
  • share/libint/%%VER%%/basis/cc-pvqz-f12-cabs.g94
  • share/libint/%%VER%%/basis/cc-pvqz-f12.g94

The first 100 are listed.

distinfo 1
FileSizeSHA256
libint-2.8.1-7-7-4-12-7-5_mm10f12ob2_0.tgz8.69888939e+08208e380f8a342306436d3641d6acc07024c2717b6ecb55c94443fa21cfc15783
Master sites 1
  • https://github.com/loriab/libint/releases/download/v${DISTVERSION:C/-.*//}/

Commit history 2

DateCommitCreditsLog message
97a84ef467 Dima Panov */*: update boost consumers after boost-1.92
4be1b97e7a Yuri Victorovich science/libint2-psi4: Update tarball used in build to make psi4 to succeed