<pre style='margin:0'>
Renee Otten (reneeotten) pushed a commit to branch master
in repository macports-ports.
</pre>
<p><a href="https://github.com/macports/macports-ports/commit/e9515bd5a35ebe173c7b31504de9c25c9d51d327">https://github.com/macports/macports-ports/commit/e9515bd5a35ebe173c7b31504de9c25c9d51d327</a></p>
<pre style="white-space: pre; background: #F8F8F8"><span style='display:block; white-space:pre;color:#808000;'>commit e9515bd5a35ebe173c7b31504de9c25c9d51d327
</span>Author: jwhowarth <howarth.mailing.lists@gmail.com>
AuthorDate: Thu Jun 6 11:24:53 2024 -0400
<span style='display:block; white-space:pre;color:#404040;'> propka: new port, version 3.5.1
</span>---
science/propka/Portfile | 45 +++++++++++++++++++++++++++++++++++++++++++++
1 file changed, 45 insertions(+)
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/propka/Portfile b/science/propka/Portfile
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 00000000000..dbc28a0e93b
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/propka/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,45 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# -*- 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
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortSystem 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup python 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup github 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+github.setup jensengroup propka 3.5.1 v
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+github.tarball_from tarball
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+revision 0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+categories science python
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+supported_archs noarch
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+platforms {darwin any}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+license LGPL-2.1
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+maintainers {gmail.com:howarth.at.macports @jwhowarth} openmaintainer
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+description Heuristic pKa calculations with ligands
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+long_description {*}${description}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums rmd160 c4654d7cff915449bc4bb33c90357da9f2e5f025 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha256 9f25ba5e57ecbc138692a87dd73c777af53acb544606a9d6a34478997abb0b18 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ size 376314
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+python.default_version 312
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+depends_test-append port:py${python.version}-numpy
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+test.run yes
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+post-destroot {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ln -fs ${python.prefix}/bin/propka3 ${destroot}/${prefix}/bin/propka
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# remove after June 17, 2025
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+pre-activate {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # pdb2pqr previously provided a c-based version of propka binary
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # which now is provided from its own python-based package.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {![catch {lindex [registry_active pdb2pqr] 0} installed]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set _version [lindex $installed 1]
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {[vercmp $_version 3.6.1] < 0} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # pdb2pqr used to install propka executable now provided by propka
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ registry_deactivate_composite pdb2pqr "" [list ports_nodepcheck 1]
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
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