* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/propka/
@ 2017-12-01 23:01 David Seifert
0 siblings, 0 replies; 5+ messages in thread
From: David Seifert @ 2017-12-01 23:01 UTC (permalink / raw
To: gentoo-commits
commit: 68ba1643722477d31737b1de98850a2268be4049
Author: David Seifert <soap <AT> gentoo <DOT> org>
AuthorDate: Fri Dec 1 22:42:39 2017 +0000
Commit: David Seifert <soap <AT> gentoo <DOT> org>
CommitDate: Fri Dec 1 23:00:50 2017 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=68ba1643
sci-chemistry/propka: [QA] Fix DESCRIPTION.toolong
sci-chemistry/propka/propka-3.1_p140511.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/propka/propka-3.1_p140511.ebuild b/sci-chemistry/propka/propka-3.1_p140511.ebuild
index 2d34b8da5d5..4b90e9aeab9 100644
--- a/sci-chemistry/propka/propka-3.1_p140511.ebuild
+++ b/sci-chemistry/propka/propka-3.1_p140511.ebuild
@@ -7,7 +7,7 @@ PYTHON_COMPAT=( python2_7 )
inherit distutils-r1
-DESCRIPTION="Prediction of the pKa values of ionizable groups in proteins and protein-ligand complexes"
+DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
HOMEPAGE="http://propka.ki.ku.dk/"
SRC_URI="https://dev.gentoo.org/~jlec/distfiles/${P}.tar.xz"
^ permalink raw reply related [flat|nested] 5+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/propka/
@ 2020-06-30 23:16 Alexey Shvetsov
0 siblings, 0 replies; 5+ messages in thread
From: Alexey Shvetsov @ 2020-06-30 23:16 UTC (permalink / raw
To: gentoo-commits
commit: 35c53b263ca449cfa6602fc548d89f839eaae5ee
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Tue Jun 30 22:29:39 2020 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
CommitDate: Tue Jun 30 22:43:36 2020 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=35c53b26
sci-chemistry/propka: Version bump
Package-Manager: Portage-2.3.103, Repoman-2.3.23
Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org>
sci-chemistry/propka/Manifest | 2 +-
sci-chemistry/propka/metadata.xml | 12 +++++++----
...opka-3.1_p140511.ebuild => propka-3.2.0.ebuild} | 23 ++++++++++++----------
3 files changed, 22 insertions(+), 15 deletions(-)
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index 7e3748e1a98..4141de90904 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1 +1 @@
-DIST propka-3.1_p140511.tar.xz 151284 BLAKE2B 16b3528fb9ac224632f99c665c98b2349e49af92479a0b1ec411a08196724c14ba35199c69280d9f1c7e6126a347eede70e229ebd76392d887fe8bef7aad9283 SHA512 c2938af41ed386e267cd045b14e34779889b3c206016d747b68c400f2c8b37bd50cc3b74d055d931476065ac6817a2dd2cb87d68de9911adfff1c8e34a667fc3
+DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc
diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml
index 8937bad0b17..6bfad85b400 100644
--- a/sci-chemistry/propka/metadata.xml
+++ b/sci-chemistry/propka/metadata.xml
@@ -1,8 +1,12 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
+ <maintainer type="project">
+ <email>sci-chemistry@gentoo.org</email>
+ <name>Gentoo Chemistry Project</name>
+ </maintainer>
+ <upstream>
+ <remote-id type="pypi">propka</remote-id>
+ <remote-id type="github">jensengroup/propka</remote-id>
+ </upstream>
</pkgmetadata>
diff --git a/sci-chemistry/propka/propka-3.1_p140511.ebuild b/sci-chemistry/propka/propka-3.2.0.ebuild
similarity index 58%
rename from sci-chemistry/propka/propka-3.1_p140511.ebuild
rename to sci-chemistry/propka/propka-3.2.0.ebuild
index 4b90e9aeab9..b5dadd1825d 100644
--- a/sci-chemistry/propka/propka-3.1_p140511.ebuild
+++ b/sci-chemistry/propka/propka-3.2.0.ebuild
@@ -1,24 +1,28 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
-EAPI=5
+EAPI=7
-PYTHON_COMPAT=( python2_7 )
+PYTHON_COMPAT=( python3_{7,8} )
inherit distutils-r1
DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
-HOMEPAGE="http://propka.ki.ku.dk/"
-SRC_URI="https://dev.gentoo.org/~jlec/distfiles/${P}.tar.xz"
+HOMEPAGE="https://github.com/jensengroup/propka"
+SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
SLOT="0"
-LICENSE="all-rights-reserved"
+LICENSE="LGPL-2.1"
KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE=""
+IUSE="test"
-DEPEND="dev-python/setuptools[${PYTHON_USEDEP}]"
+RESTRICT="!test? ( test )"
-RESTRICT="mirror bindist"
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+BDEPEND="test? (
+ ${RDEPEND}
+ dev-python/pandas[${PYTHON_USEDEP}]
+)"
python_prepare_all() {
sed -e "/exclude/s:scripts:\', \'Tests:g" \
@@ -32,6 +36,5 @@ python_test() {
}
python_install_all() {
- dosym ${PN}31 /usr/bin/${PN}
distutils-r1_python_install_all
}
^ permalink raw reply related [flat|nested] 5+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/propka/
@ 2022-07-06 11:55 Andrew Ammerlaan
0 siblings, 0 replies; 5+ messages in thread
From: Andrew Ammerlaan @ 2022-07-06 11:55 UTC (permalink / raw
To: gentoo-commits
commit: b221e27e1e3759f47e118fb5342b5c31f9235ed6
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Wed Jul 6 11:54:33 2022 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Wed Jul 6 11:54:33 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b221e27e
sci-chemistry/propka: drop 3.2.0
Closes: https://bugs.gentoo.org/741376
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-chemistry/propka/Manifest | 1 -
sci-chemistry/propka/propka-3.2.0.ebuild | 40 --------------------------------
2 files changed, 41 deletions(-)
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index 3ed3d129ddbf..a3ae32cc089e 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1,2 +1 @@
-DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc
DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9
diff --git a/sci-chemistry/propka/propka-3.2.0.ebuild b/sci-chemistry/propka/propka-3.2.0.ebuild
deleted file mode 100644
index b5dadd1825d2..000000000000
--- a/sci-chemistry/propka/propka-3.2.0.ebuild
+++ /dev/null
@@ -1,40 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-PYTHON_COMPAT=( python3_{7,8} )
-
-inherit distutils-r1
-
-DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
-HOMEPAGE="https://github.com/jensengroup/propka"
-SRC_URI="mirror://pypi/${PN:0:1}/${PN}/${P}.tar.gz"
-
-SLOT="0"
-LICENSE="LGPL-2.1"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RESTRICT="!test? ( test )"
-
-RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
-BDEPEND="test? (
- ${RDEPEND}
- dev-python/pandas[${PYTHON_USEDEP}]
-)"
-
-python_prepare_all() {
- sed -e "/exclude/s:scripts:\', \'Tests:g" \
- -i setup.py || die
- distutils-r1_python_prepare_all
-}
-
-python_test() {
- cd Tests || die
- ${PYTHON} runtest.py || die
-}
-
-python_install_all() {
- distutils-r1_python_install_all
-}
^ permalink raw reply related [flat|nested] 5+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/propka/
@ 2022-07-06 11:55 Andrew Ammerlaan
0 siblings, 0 replies; 5+ messages in thread
From: Andrew Ammerlaan @ 2022-07-06 11:55 UTC (permalink / raw
To: gentoo-commits
commit: 75c1e5775adf387c9f56c5eb37f5c4114b6cef46
Author: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
AuthorDate: Wed Jul 6 11:53:15 2022 +0000
Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org>
CommitDate: Wed Jul 6 11:53:30 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=75c1e577
sci-chemistry/propka: add 3.4.0
Closes: https://bugs.gentoo.org/832251
Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org>
sci-chemistry/propka/Manifest | 1 +
sci-chemistry/propka/metadata.xml | 1 +
sci-chemistry/propka/propka-3.4.0.ebuild | 28 ++++++++++++++++++++++++++++
3 files changed, 30 insertions(+)
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index 4141de909047..3ed3d129ddbf 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1 +1,2 @@
DIST propka-3.2.0.tar.gz 73746 BLAKE2B f79e493d5a195b81dc5d11cc21b9ab16c8d1fa48f15f7e23e2b2936dfb8634fdb00c7838b8dbdb4a68726dab0f16e54522ad71d71b3273ac93c03a737ae06f04 SHA512 98f2240b28b33bab94cdbe9392062bb7f6b87e75b94c2af91e178f874a74d210601161ebc835c4d751b89d37b32348fdfb096e28cbf8e9237b3f472d3fb6b4fc
+DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9
diff --git a/sci-chemistry/propka/metadata.xml b/sci-chemistry/propka/metadata.xml
index 03810a218076..5153791d2361 100644
--- a/sci-chemistry/propka/metadata.xml
+++ b/sci-chemistry/propka/metadata.xml
@@ -9,4 +9,5 @@
<remote-id type="pypi">propka</remote-id>
<remote-id type="github">jensengroup/propka</remote-id>
</upstream>
+ <stabilize-allarches/>
</pkgmetadata>
diff --git a/sci-chemistry/propka/propka-3.4.0.ebuild b/sci-chemistry/propka/propka-3.4.0.ebuild
new file mode 100644
index 000000000000..81b20fbee2e0
--- /dev/null
+++ b/sci-chemistry/propka/propka-3.4.0.ebuild
@@ -0,0 +1,28 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..11} )
+DISTUTILS_USE_PEP517=setuptools
+
+inherit distutils-r1
+
+DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
+HOMEPAGE="https://github.com/jensengroup/propka"
+SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${PV}.tar.gz -> ${P}.gh.tar.gz"
+
+SLOT="0"
+LICENSE="LGPL-2.1"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+
+distutils_enable_tests pytest
+
+python_prepare_all() {
+ # Do not install the tests
+ sed -e "/exclude/s:scripts:\', \'tests:g" \
+ -i setup.py || die
+ distutils-r1_python_prepare_all
+}
^ permalink raw reply related [flat|nested] 5+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/propka/
@ 2024-07-30 21:13 Pacho Ramos
0 siblings, 0 replies; 5+ messages in thread
From: Pacho Ramos @ 2024-07-30 21:13 UTC (permalink / raw
To: gentoo-commits
commit: bb7946c448a325cf280c0c04c7362faed65f9b73
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Tue Jul 30 19:48:22 2024 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Tue Jul 30 21:11:52 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=bb7946c4
sci-chemistry/propka: add 3.5.1
Closes: https://bugs.gentoo.org/929761
Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
sci-chemistry/propka/Manifest | 1 +
sci-chemistry/propka/propka-3.5.1.ebuild | 28 ++++++++++++++++++++++++++++
2 files changed, 29 insertions(+)
diff --git a/sci-chemistry/propka/Manifest b/sci-chemistry/propka/Manifest
index a3ae32cc089e..18e3621e2c6f 100644
--- a/sci-chemistry/propka/Manifest
+++ b/sci-chemistry/propka/Manifest
@@ -1 +1,2 @@
DIST propka-3.4.0.gh.tar.gz 363641 BLAKE2B 87f495ba69028593cf3ebf98ed33da0944f7a3833f2d08cae4f0a0b5cbe2f3a67e9812685b896a7d89c88ba25653861f135dbac53dc6df7af426a290bacb3d22 SHA512 2ce431c66374d0692acb7504661caa870ab6460ace3a6478f88c1d46a7bfcd82c748bf153a1ce2ea6d1611bc4bbf2351c4f5149f4578e5f8a9f9ec8385298fe9
+DIST propka-3.5.1.gh.tar.gz 376176 BLAKE2B ef4f5f51a6d08da566aa8dc4d2ec73ca028137031dbe49ca329589fe9ceb7cdda672cac755735a11bed79db1f31be5401b083239214177c2d459207ae998ae29 SHA512 3a9a7fd773700850f14c3ef1cc4ef7614242ea1191001fdca6afd44953486f208cbc067b84752c89e97e82ef6bac5561907b2aeafbee80c4d83cbf3ab443aaa2
diff --git a/sci-chemistry/propka/propka-3.5.1.ebuild b/sci-chemistry/propka/propka-3.5.1.ebuild
new file mode 100644
index 000000000000..2c9eb2ee4f27
--- /dev/null
+++ b/sci-chemistry/propka/propka-3.5.1.ebuild
@@ -0,0 +1,28 @@
+# Copyright 1999-2024 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{10..12} )
+DISTUTILS_USE_PEP517=setuptools
+
+inherit distutils-r1
+
+DESCRIPTION="pKa-value prediction of ionizable groups in protein and protein-ligand complexes"
+HOMEPAGE="https://github.com/jensengroup/propka"
+SRC_URI="https://github.com/jensengroup/propka/archive/refs/tags/v${PV}.tar.gz -> ${P}.gh.tar.gz"
+
+SLOT="0"
+LICENSE="LGPL-2.1"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+RDEPEND="dev-python/numpy[${PYTHON_USEDEP}]"
+
+distutils_enable_tests pytest
+
+python_prepare_all() {
+ # Do not install the tests
+ sed -e "/exclude/s:scripts:\', \'tests:g" \
+ -i setup.py || die
+ distutils-r1_python_prepare_all
+}
^ permalink raw reply related [flat|nested] 5+ messages in thread
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2020-06-30 23:16 Alexey Shvetsov
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