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Joshua Root
53 lines
2.3 KiB
Tcl
53 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 python 1.0
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name py-MDAnalysis
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version 1.0.0
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revision 0
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categories-append science
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platforms darwin
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license GPL-2+
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python.versions 27 36 37 38
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maintainers {gmail.com:giovanni.bussi @GiovanniBussi} openmaintainer
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description An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
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long_description ${description} \
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It also reads other formats (e.g. PDB files and XYZ format trajectories. \
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It can write most of the coordinate formats, too, together with atom selections for use \
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in Gromacs, CHARMM, VMD and PyMOL.
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homepage https://www.mdanalysis.org/
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master_sites pypi:[string index ${python.rootname} 0]/${python.rootname}
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distname ${python.rootname}-${version}
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checksums rmd160 6ac6c5ad4ad83ff1227ec596cf47de76587d4478 \
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sha256 f45a024aca45e390ff1c45ca90beb2180b78881be377e2a1aa9cd6c109bcfa81 \
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size 19552874
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patchfiles patch-unistd.diff
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if {${name} ne ${subport}} {
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# OpenMP is disabled now
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# See https://github.com/macports/macports-ports/pull/3902 for an attempt to fix the issue
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build.env-append MDA_USE_OPENMP=0
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depends_build-append port:py${python.version}-setuptools
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depends_lib-append port:py${python.version}-biopython \
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port:py${python.version}-GridDataFormats \
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port:py${python.version}-gsd \
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port:py${python.version}-joblib \
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port:py${python.version}-matplotlib \
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port:py${python.version}-mock \
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port:py${python.version}-mmtf-python \
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port:py${python.version}-networkx \
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port:py${python.version}-numpy \
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port:py${python.version}-scipy \
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port:py${python.version}-six \
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port:py${python.version}-tqdm
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livecheck.type none
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}
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