<pre style='margin:0'>
David Strubbe (dstrubbe) pushed a commit to branch master
in repository macports-ports.
</pre>
<p><a href="https://github.com/macports/macports-ports/commit/04ee58007ca1349af4c45bbbede429f94d5f69d7">https://github.com/macports/macports-ports/commit/04ee58007ca1349af4c45bbbede429f94d5f69d7</a></p>
<pre style="white-space: pre; background: #F8F8F8"><span style='display:block; white-space:pre;color:#808000;'>commit 04ee58007ca1349af4c45bbbede429f94d5f69d7
</span>Author: David Strubbe <dstrubbe@macports.org>
AuthorDate: Mon Jun 29 20:50:42 2020 -0700
<span style='display:block; white-space:pre;color:#404040;'> wannier90: Update to 3.1.0. Comment on a few test failures.
</span>---
science/wannier90/Portfile | 42 +++++++++++++++++++++++++++++++++++-------
1 file changed, 35 insertions(+), 7 deletions(-)
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/wannier90/Portfile b/science/wannier90/Portfile
</span><span style='display:block; white-space:pre;color:#808080;'>index 94bbb3ac10f..8c8522010ee 100644
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>--- a/science/wannier90/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/wannier90/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -5,7 +5,8 @@ PortGroup compilers 1.0
</span> PortGroup linear_algebra 1.0
name wannier90
<span style='display:block; white-space:pre;background:#ffe0e0;'>-version 3.0.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+version 3.1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+revision 0
</span> categories science
platforms darwin
license GPL-2+
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -21,10 +22,10 @@ long_description Wannier90 uses inputs from an electronic-structure code \
</span> homepage http://www.wannier.org
master_sites https://github.com/wannier-developers/wannier90/archive
<span style='display:block; white-space:pre;background:#ffe0e0;'>-checksums rmd160 cf937b9854e64ea545fe81ce063a02689aefa8de \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- sha1 233773801b170d46200004dd1c0db8cdf7003ddd \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- sha256 f196e441dcd7b67159a1d09d2d7de2893b011a9f03aab6b30c4703ecbf20fe5b \
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>- size 71943515
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums rmd160 d9d1117c3ccc4dde4e5b4181ef230e84edd8e18c \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha1 1d4447775e245f43967ab8a37ba475c2f1547936 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha256 40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ size 101211573
</span>
distname v${version}
worksrcdir ${name}-${version}
<span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -59,12 +60,39 @@ compilers.choose f90
</span> compilers.setup require_fortran
variant threads requires atlas description {Build with threaded ATLAS} {}
<span style='display:block; white-space:pre;background:#ffe0e0;'>-# test fails with tiny discrepancies:
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>-# tests/testw90_example26 - gaas.win: **FAILED**
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# test fails with small discrepancies:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testpostw90_fe_kpathcurv - Fe.win: **FAILED**.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#bandcurvz
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: relative error 1.24e+02 greater than 1.00e+02. (Test: 5.9210191e-20. Benchmark: 4.7482879e-22.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testpostw90_fe_kpathmorbcurv - Fe.win: Passed.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testpostw90_fe_kslicecurv - Fe.win: **FAILED**.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#bandcurvz
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: relative error 1.24e+02 greater than 1.00e+02. (Test: 5.9210191e-20. Benchmark: 4.7482879e-22.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#bandcurvz
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: relative error 1.18e+02 greater than 1.00e+02. (Test: 5.8410051e-20. Benchmark: 4.914996e-22.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testw90_example26 - gaas.win: **FAILED**.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#final_spreads
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#final_spreads
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#final_spreads
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 3.53e-06 greater than 3.00e-06. (Test: 2.7477301. Benchmark: 2.74772657.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#omegaRest
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 1.06e-05 greater than 1.00e-05. (Test: 11.511365424. Benchmark: 11.511354835.)
</span>
test.run yes
test.target test-serial
<span style='display:block; white-space:pre;background:#e0ffe0;'>+# without threads small discrepancies for
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testw90_example03 - silicon.win: **FAILED**.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#final_spreads
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 3.37e-06 greater than 3.00e-06. (Test: 1.81247943. Benchmark: 1.81247606.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#tests/testpostw90_pt_kpathbandsshc - Pt.win: **FAILED**.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#shc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 1.11e-02 greater than 1.00e-02. (Test: -2.415645. Benchmark: -2.4267646.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+#shc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# ERROR: absolute error 1.11e-02 greater than 1.00e-02. (Test: -2.9992466. Benchmark: -2.9881258.)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span> livecheck.type regex
livecheck.url ${homepage}/download
livecheck.regex Wannier90 \\(v(\[0-9.\]+)\\)
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