mirror of
https://github.com/macports/macports-ports.git
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Renee Otten
e1ba05f2f6
Upstream decided to change the library name libgsl.25.dylib to libgsl.27.dylib in a minor patch release....
60 lines
2.3 KiB
Tcl
60 lines
2.3 KiB
Tcl
# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
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PortSystem 1.0
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PortGroup compilers 1.0
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name ape
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version 2.3.1
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revision 1
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categories science
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platforms darwin
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license GPL-2+
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maintainers {dstrubbe @dstrubbe}
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description A tool for generating atomic pseudopotentials within a Density-Functional Theory framework.
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long_description APE (Atomic Pseudopotentials Engine) is a computer package designed to generate \
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and test norm-conserving pseudo-potentials within Density Functional Theory. \
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The generated pseudo-potentials can be either non-relativistic, scalar \
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relativistic or fully relativistic and can explicitly include \
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semi-core states. A wide range of exchange-correlation functionals is included. \
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APE can generate pseudopotential files for use with SIESTA, Abinit, Octopus, \
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and Quantum Espresso.
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homepage http://www.tddft.org/programs/APE
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master_sites https://www.tddft.org/programs/APE/download/${version}
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checksums rmd160 c7b047ef4319086aac02439f6aa75d6ba8793c62 \
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sha256 b0f30fba1098deef92715f5b77a095acf79d4996fc1a47f8691ccd211431e5ed \
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size 641243
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depends_lib port:libxc4 port:gsl
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configure.args --with-libxc-prefix=${prefix}
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configure.optflags-append -ffree-line-length-none
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compilers.choose fc cc cpp
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compilers.setup require_fortran -g95 -clang
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# g95 is disabled because of constructs regarded as illegal by this compiler.
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# :info:build In file mesh_ape.f90:58
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# :info:build
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# :info:build integer, private :: type !mesh type
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# :info:build 1
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# :info:build Error: PRIVATE attribute at (1) is not allowed in a TYPE definition
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compilers.enforce_fortran libxc4
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# libxc does not have universal variant, so APE cannot either
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universal_variant no
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post-destroot {
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# avoid conflict with octopus
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delete ${destroot}${prefix}/include/liboct_parser.h
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}
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# Note: a few tests may fail.
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test.run yes
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test.target check
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livecheck.type regex
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livecheck.url https://gitlab.com/ape/ape/tags
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livecheck.regex Release (\[0-9.\]+)
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