[MacPorts] #50474: atompaw 4.0.0.12 new port
#50474: atompaw 4.0.0.12 new port ------------------------+-------------------------------- Reporter: cram5431@… | Owner: macports-tickets@… Type: submission | Status: new Priority: Normal | Milestone: Component: ports | Version: 2.3.4 Keywords: | Port: atompaw ------------------------+-------------------------------- Portfile for atomPAW, intended for the science category. atomPAW is a program to be used for the generation of atomic datasets needed by first-principle simulation software based on the "Projector Augmented-Wave" (PAW) approach: Abinit, gpaw, Quantum Espresso, ... -- Ticket URL: <https://trac.macports.org/ticket/50474> MacPorts <https://www.macports.org/> Ports system for OS X
#50474: atompaw 4.0.0.12 new port -------------------------+------------------------ Reporter: cram5431@… | Owner: dstrubbe@… Type: submission | Status: new Priority: Normal | Milestone: Component: ports | Version: 2.3.4 Resolution: | Keywords: Port: atompaw | -------------------------+------------------------ Changes (by dstrubbe@…): * owner: macports-tickets@… => dstrubbe@… -- Ticket URL: <https://trac.macports.org/ticket/50474#comment:1> MacPorts <https://www.macports.org/> Ports system for OS X
#50474: atompaw 4.0.0.12 new port -------------------------+------------------------ Reporter: cram5431@… | Owner: dstrubbe@… Type: submission | Status: closed Priority: Normal | Milestone: Component: ports | Version: 2.3.4 Resolution: fixed | Keywords: Port: atompaw | -------------------------+------------------------ Changes (by dstrubbe@…): * status: new => closed * resolution: => fixed Comment: Committed in r145312 with some improvements. -- Ticket URL: <https://trac.macports.org/ticket/50474#comment:2> MacPorts <https://www.macports.org/> Ports system for OS X
#50474: atompaw 4.0.0.12 new port -------------------------+------------------------ Reporter: cram5431@… | Owner: dstrubbe@… Type: submission | Status: closed Priority: Normal | Milestone: Component: ports | Version: 2.3.4 Resolution: fixed | Keywords: Port: atompaw | -------------------------+------------------------ Comment (by dstrubbe@…): * Since MPI is not used, the compilers portgroup should be used directly. * Improved the description to fix grammar issues. * The compilers.setup line is required to create variants. require_fortran makes it mandatory to set a Fortran variant. * Building shared libraries can be enabled. * The first pre-configure block (except for the libxc part) did not need to be in a particular phase. * The default destroot (from atompaw's own 'make install') works fine and installs more useful things than just the 'atompaw' binary. * Improved test phase: the F LDA example is run. -- Ticket URL: <https://trac.macports.org/ticket/50474#comment:3> MacPorts <https://www.macports.org/> Ports system for OS X
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