diff --git a/science/wannier90/Portfile b/science/wannier90/Portfile index 94bbb3ac10fde..8c8522010eef9 100644 --- a/science/wannier90/Portfile +++ b/science/wannier90/Portfile @@ -5,7 +5,8 @@ PortGroup compilers 1.0 PortGroup linear_algebra 1.0 name wannier90 -version 3.0.0 +version 3.1.0 +revision 0 categories science platforms darwin license GPL-2+ @@ -21,10 +22,10 @@ long_description Wannier90 uses inputs from an electronic-structure code \ homepage http://www.wannier.org master_sites https://github.com/wannier-developers/wannier90/archive -checksums rmd160 cf937b9854e64ea545fe81ce063a02689aefa8de \ - sha1 233773801b170d46200004dd1c0db8cdf7003ddd \ - sha256 f196e441dcd7b67159a1d09d2d7de2893b011a9f03aab6b30c4703ecbf20fe5b \ - size 71943515 +checksums rmd160 d9d1117c3ccc4dde4e5b4181ef230e84edd8e18c \ + sha1 1d4447775e245f43967ab8a37ba475c2f1547936 \ + sha256 40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254 \ + size 101211573 distname v${version} worksrcdir ${name}-${version} @@ -59,12 +60,39 @@ compilers.choose f90 compilers.setup require_fortran variant threads requires atlas description {Build with threaded ATLAS} {} -# test fails with tiny discrepancies: -# tests/testw90_example26 - gaas.win: **FAILED** +# test fails with small discrepancies: +#tests/testpostw90_fe_kpathcurv - Fe.win: **FAILED**. +#bandcurvz +# ERROR: relative error 1.24e+02 greater than 1.00e+02. (Test: 5.9210191e-20. Benchmark: 4.7482879e-22.) +#tests/testpostw90_fe_kpathmorbcurv - Fe.win: Passed. +#tests/testpostw90_fe_kslicecurv - Fe.win: **FAILED**. +#bandcurvz +# ERROR: relative error 1.24e+02 greater than 1.00e+02. (Test: 5.9210191e-20. Benchmark: 4.7482879e-22.) +#bandcurvz +# ERROR: relative error 1.18e+02 greater than 1.00e+02. (Test: 5.8410051e-20. Benchmark: 4.914996e-22.) +#tests/testw90_example26 - gaas.win: **FAILED**. +#final_spreads +# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.) +#final_spreads +# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.) +#final_spreads +# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.) +#omegaRest +# ERROR: absolute error 1.06e-05 greater than 1.00e-05. (Test: 11.511365424. Benchmark: 11.511354835.) test.run yes test.target test-serial +# without threads small discrepancies for +#tests/testw90_example03 - silicon.win: **FAILED**. +#final_spreads +# ERROR: absolute error 3.37e-06 greater than 3.00e-06. (Test: 1.81247943. Benchmark: 1.81247606.) +#tests/testpostw90_pt_kpathbandsshc - Pt.win: **FAILED**. +#shc +# ERROR: absolute error 1.11e-02 greater than 1.00e-02. (Test: -2.415645. Benchmark: -2.4267646.) +#shc +# ERROR: absolute error 1.11e-02 greater than 1.00e-02. (Test: -2.9992466. Benchmark: -2.9881258.) + livecheck.type regex livecheck.url ${homepage}/download livecheck.regex Wannier90 \\(v(\[0-9.\]+)\\)