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源码包: nwchem (7.0.2-3)

nwchem 的相关链接

本源码包构建了以下这些二进制包:

nwchem: High-performance computational chemistry software (default MPI)
nwchem-data: High-performance computational chemistry software (data files)
nwchem-mpich: High-performance computational chemistry software (MPICH build)
nwchem-openmpi: High-performance computational chemistry software (OpenMPI build)

adep: autotools-dev (>> 20100122.1~)

Update infrastructure for config.{guess,sub} files
adep: csh

Shell with C-like syntax
adep: debhelper-compat (= 13)

软件包暂时不可用
adep: dh-python

Debian helper tools for packaging Python libraries and applications
adep: gfortran

GNU Fortran 95 compiler
adep: libarmci-mpi-dev (>= 0.3.1~beta-2~)

ARMCI-MPI (Development version)
adep: libblas-dev

Basic Linear Algebra Subroutines 3, static library
adep: libglobalarrays-dev (>= 5.8.1-4~)

Distributed Shared-Memory Programming Environment (development)
adep: liblapack-dev

Library of linear algebra routines 3 - static version
adep: libscalapack-mpi-dev (>= 2)

Scalable Linear Algebra Package - Dev files for MPI
adep: libscalapack-mpich-dev (>= 2)

Scalable Linear Algebra Package - Dev files for MPICH
adep: libscalapack-openmpi-dev (>= 2)

Scalable Linear Algebra Package - Dev files for OpenMPI
adep: mpi-default-bin

Standard MPI runtime programs (metapackage)
adep: mpi-default-dev

Standard MPI development files (metapackage)
adep: libmpich-dev

Development files for MPICH
adep: libopenmpi-dev

high performance message passing library -- header files
adep: openssh-client

secure shell (SSH) client, for secure access to remote machines
adep: pkg-config

manage compile and link flags for libraries
adep: python3-dev

header files and a static library for Python (default)
adep: zlib1g-dev

compression library - development