* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2021-12-17 3:08 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2021-12-17 3:08 UTC (permalink / raw
To: gentoo-commits
commit: 391014de2542916def561381b42652c062839deb
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Fri Dec 17 03:07:39 2021 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Fri Dec 17 03:08:10 2021 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=391014de
sci-chemistry/votca: initial import
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/metadata.xml | 18 ++++++++
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 +++++++++++++++++++++++++++++++
sci-chemistry/votca/votca-9999.ebuild | 70 +++++++++++++++++++++++++++++++
4 files changed, 159 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
new file mode 100644
index 000000000000..655f50c45cdc
--- /dev/null
+++ b/sci-chemistry/votca/Manifest
@@ -0,0 +1 @@
+DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B 9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f SHA512 3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/metadata.xml b/sci-chemistry/votca/metadata.xml
new file mode 100644
index 000000000000..137114c8f259
--- /dev/null
+++ b/sci-chemistry/votca/metadata.xml
@@ -0,0 +1,18 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <maintainer type="person">
+ <email>junghans@gentoo.org</email>
+ <name>Christoph Junghans</name>
+ </maintainer>
+ <maintainer type="project">
+ <email>sci-chemistry@gentoo.org</email>
+ <name>Gentoo Chemistry Project</name>
+ </maintainer>
+ <use>
+ <flag name="gromacs">Add support for gromacs file formats through <pkg>sci-chemistry/gromacs</pkg></flag>
+ </use>
+ <upstream>
+ <remote-id type="github">votca/votca</remote-id>
+ </upstream>
+</pkgmetadata>
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild b/sci-chemistry/votca/votca-2022_rc2.ebuild
new file mode 100644
index 000000000000..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022_rc2.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == *9999 ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git"
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
diff --git a/sci-chemistry/votca/votca-9999.ebuild b/sci-chemistry/votca/votca-9999.ebuild
new file mode 100644
index 000000000000..6a1ae090460b
--- /dev/null
+++ b/sci-chemistry/votca/votca-9999.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == *9999 ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git"
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-01-16 3:02 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2022-01-16 3:02 UTC (permalink / raw
To: gentoo-commits
commit: 5cbfdbbdc1be3f2ae0c8b2fdc23488e1ee8c9025
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sun Jan 16 03:01:55 2022 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Sun Jan 16 03:02:19 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=5cbfdbbd
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.28, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.ebuild | 70 +++++++++++++++++++++++++++++++++++
2 files changed, 71 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 655f50c45cdc..21dca30b58dd 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B 9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f SHA512 3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
new file mode 100644
index 000000000000..f59f5347f3de
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -0,0 +1,70 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+inherit bash-completion-r1 cmake
+
+if [[ ${PV} == *9999 ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git"
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:= )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-02-20 14:58 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2022-02-20 14:58 UTC (permalink / raw
To: gentoo-commits
commit: 779099afac36901856782d1fd4dd69fa975e3f08
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sun Feb 20 14:57:51 2022 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Sun Feb 20 14:57:51 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=779099af
sci-chemistry/votca: fix deps
Bug: https://bugs.gentoo.org/833793
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
sci-chemistry/votca/votca-9999.ebuild | 4 ++--
2 files changed, 3 insertions(+), 3 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
index f59f5347f3de..a60728a6a6a9 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -37,7 +37,7 @@ RDEPEND="
dev-libs/expat
sci-libs/fftw:3.0=
dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
+ gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
sci-libs/hdf5[cxx]
sci-libs/libxc
sci-libs/libint:2
diff --git a/sci-chemistry/votca/votca-9999.ebuild b/sci-chemistry/votca/votca-9999.ebuild
index 6a1ae090460b..a60728a6a6a9 100644
--- a/sci-chemistry/votca/votca-9999.ebuild
+++ b/sci-chemistry/votca/votca-9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -37,7 +37,7 @@ RDEPEND="
dev-libs/expat
sci-libs/fftw:3.0=
dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
+ gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
sci-libs/hdf5[cxx]
sci-libs/libxc
sci-libs/libint:2
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-02-20 14:58 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2022-02-20 14:58 UTC (permalink / raw
To: gentoo-commits
commit: 55dfd0a05bc6cda092e969ba5c80ae88d9ca2bf8
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Sun Feb 20 14:56:02 2022 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Sun Feb 20 14:56:02 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=55dfd0a0
sci-chemistry/votca: remove old
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022_rc2.ebuild | 70 -------------------------------
2 files changed, 71 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 21dca30b58dd..84be7c9f6881 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
-DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B 9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f SHA512 3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961
diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild b/sci-chemistry/votca/votca-2022_rc2.ebuild
deleted file mode 100644
index 6a1ae090460b..000000000000
--- a/sci-chemistry/votca/votca-2022_rc2.ebuild
+++ /dev/null
@@ -1,70 +0,0 @@
-# Copyright 1999-2021 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit bash-completion-r1 cmake
-
-if [[ ${PV} == *9999 ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git"
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
-HOMEPAGE="https://www.votca.org/"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:= )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617"
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w"
- einfo
-}
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-02-21 16:18 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2022-02-21 16:18 UTC (permalink / raw
To: gentoo-commits
commit: 24d49d50d85c465cabe555d7185fc9f1eed12a59
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Mon Feb 21 16:18:20 2022 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Mon Feb 21 16:18:36 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=24d49d50
sci-chemistry/votca: fix python dep
Closes: https://bugs.gentoo.org/833818
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 12 +++++++++++-
sci-chemistry/votca/votca-9999.ebuild | 12 +++++++++++-
2 files changed, 22 insertions(+), 2 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == *9999 ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/"
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
diff --git a/sci-chemistry/votca/votca-9999.ebuild b/sci-chemistry/votca/votca-9999.ebuild
index a60728a6a6a9..0962e065f91d 100644
--- a/sci-chemistry/votca/votca-9999.ebuild
+++ b/sci-chemistry/votca/votca-9999.ebuild
@@ -2,8 +2,9 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
-inherit bash-completion-r1 cmake
+inherit bash-completion-r1 cmake python-single-r1
if [[ ${PV} == *9999 ]]; then
inherit git-r3
@@ -25,12 +26,14 @@ HOMEPAGE="https://www.votca.org/"
LICENSE="Apache-2.0"
SLOT="0"
IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
RESTRICT="!test? ( test )"
RDEPEND="
!sci-libs/votca-tools
!sci-chemistry/votca-csg
!sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
app-shells/bash:*
>=dev-cpp/eigen-3.3
dev-libs/boost:=
@@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig"
DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
src_configure() {
local mycmakeargs=(
-DENABLE_TESTING=$(usex test)
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-06-12 12:20 Agostino Sarubbo
0 siblings, 0 replies; 12+ messages in thread
From: Agostino Sarubbo @ 2022-06-12 12:20 UTC (permalink / raw
To: gentoo-commits
commit: a327e1218dc1322a781528d782ae1ec3e6cf7a46
Author: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 12 12:20:45 2022 +0000
Commit: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
CommitDate: Sun Jun 12 12:20:45 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a327e121
sci-chemistry/votca: amd64 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="amd64"
Signed-off-by: Agostino Sarubbo <ago <AT> gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
index 0962e065f91d..dc82ac6b007f 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-06-13 7:13 Agostino Sarubbo
0 siblings, 0 replies; 12+ messages in thread
From: Agostino Sarubbo @ 2022-06-13 7:13 UTC (permalink / raw
To: gentoo-commits
commit: 1b8ba90cd3f3ee864dbd90991c20ec607278065e
Author: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
AuthorDate: Mon Jun 13 07:13:34 2022 +0000
Commit: Agostino Sarubbo <ago <AT> gentoo <DOT> org>
CommitDate: Mon Jun 13 07:13:34 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b8ba90c
sci-chemistry/votca: x86 stable wrt bug #846386
Package-Manager: Portage-3.0.30, Repoman-3.0.3
RepoMan-Options: --include-arches="x86"
Signed-off-by: Agostino Sarubbo <ago <AT> gentoo.org>
sci-chemistry/votca/votca-2022.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
index dc82ac6b007f..95c32eda807a 100644
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ b/sci-chemistry/votca/votca-2022.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2022-12-23 16:44 Christoph Junghans
0 siblings, 0 replies; 12+ messages in thread
From: Christoph Junghans @ 2022-12-23 16:44 UTC (permalink / raw
To: gentoo-commits
commit: f71992f304dd2dc178bd633057ff5481212cf8ee
Author: Christoph Junghans <junghans <AT> gentoo <DOT> org>
AuthorDate: Fri Dec 23 16:43:42 2022 +0000
Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org>
CommitDate: Fri Dec 23 16:43:42 2022 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=f71992f3
sci-chemistry/votca: version bump
Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org>
sci-chemistry/votca/Manifest | 1 +
sci-chemistry/votca/votca-2022.1.ebuild | 80 +++++++++++++++++++++++++++++++++
2 files changed, 81 insertions(+)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index 84be7c9f6881..a1f13dfe694f 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1 +1,2 @@
+DIST votca-2022.1.tar.gz 61692029 BLAKE2B c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e SHA512 dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild b/sci-chemistry/votca/votca-2022.1.ebuild
new file mode 100644
index 000000000000..0962e065f91d
--- /dev/null
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -0,0 +1,80 @@
+# Copyright 1999-2022 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+PYTHON_COMPAT=( python3_{8..10} )
+
+inherit bash-completion-r1 cmake python-single-r1
+
+if [[ ${PV} == *9999 ]]; then
+ inherit git-r3
+ EGIT_REPO_URI="https://github.com/votca/votca.git"
+else
+ if [[ ${PV} = *_rc[1-9] ]]; then
+ MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
+ else
+ MY_PV="${PV}"
+ fi
+ SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
+ KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ S="${WORKDIR}/votca-${MY_PV}"
+fi
+
+DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
+HOMEPAGE="https://www.votca.org/"
+
+LICENSE="Apache-2.0"
+SLOT="0"
+IUSE="+gromacs test"
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+RESTRICT="!test? ( test )"
+
+RDEPEND="
+ !sci-libs/votca-tools
+ !sci-chemistry/votca-csg
+ !sci-chemistry/votca-xtp
+ ${PYTHON_DEPS}
+ app-shells/bash:*
+ >=dev-cpp/eigen-3.3
+ dev-libs/boost:=
+ dev-libs/expat
+ sci-libs/fftw:3.0=
+ dev-lang/perl
+ gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
+ sci-libs/hdf5[cxx]
+ sci-libs/libxc
+ sci-libs/libint:2
+"
+DEPEND="${RDEPEND}"
+BDEPEND="virtual/pkgconfig"
+
+DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
+
+src_prepare() {
+ # espressopp was removed from gentoo
+ rm -r ./csg-tutorials/spce/ibi_espressopp || die
+ python_fix_shebang .
+ cmake_src_prepare
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DENABLE_TESTING=$(usex test)
+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
+ -DBUILD_CSGAPPS=ON
+ -DINSTALL_RC_FILES=OFF
+ -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
+ )
+ cmake_src_configure
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
+ einfo "https://doi.org/10.1021/acs.jctc.8b00617"
+ einfo
+ einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
+ einfo "https://dx.doi.org/10.1021/ct900369w"
+ einfo
+}
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2023-05-06 13:36 Pacho Ramos
0 siblings, 0 replies; 12+ messages in thread
From: Pacho Ramos @ 2023-05-06 13:36 UTC (permalink / raw
To: gentoo-commits
commit: 8f054f25a3dbc089f1443c410604abafc213f1e2
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sat May 6 13:35:49 2023 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sat May 6 13:36:10 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8f054f25
sci-chemistry/votca: enable py3.11
Closes: https://bugs.gentoo.org/897206
Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
sci-chemistry/votca/votca-2022.1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild b/sci-chemistry/votca/votca-2022.1.ebuild
index 5c883cbd44b8..22872e4c773c 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -2,7 +2,7 @@
# Distributed under the terms of the GNU General Public License v2
EAPI=7
-PYTHON_COMPAT=( python3_{9..10} )
+PYTHON_COMPAT=( python3_{9..11} )
inherit bash-completion-r1 cmake python-single-r1
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2023-12-16 16:17 Arthur Zamarin
0 siblings, 0 replies; 12+ messages in thread
From: Arthur Zamarin @ 2023-12-16 16:17 UTC (permalink / raw
To: gentoo-commits
commit: fbd1c19d15b9c9b97838b91a0f9460fd1ec71a3c
Author: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
AuthorDate: Sat Dec 16 16:17:02 2023 +0000
Commit: Arthur Zamarin <arthurzam <AT> gentoo <DOT> org>
CommitDate: Sat Dec 16 16:17:02 2023 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=fbd1c19d
sci-chemistry/votca: Stabilize 2022.1 amd64, #920126
Signed-off-by: Arthur Zamarin <arthurzam <AT> gentoo.org>
sci-chemistry/votca/votca-2022.1.ebuild | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild b/sci-chemistry/votca/votca-2022.1.ebuild
index 22872e4c773c..f6ccde06ed4a 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1.ebuild
@@ -16,7 +16,7 @@ else
MY_PV="${PV}"
fi
SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="~amd64 ~x86 ~amd64-linux"
+ KEYWORDS="amd64 ~x86 ~amd64-linux"
S="${WORKDIR}/votca-${MY_PV}"
fi
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2024-03-24 21:03 Andreas Sturmlechner
0 siblings, 0 replies; 12+ messages in thread
From: Andreas Sturmlechner @ 2024-03-24 21:03 UTC (permalink / raw
To: gentoo-commits
commit: 3dfa73898c0b4e81b84db78485c8a58b6edd2469
Author: Andreas Sturmlechner <asturm <AT> gentoo <DOT> org>
AuthorDate: Thu Mar 7 13:53:40 2024 +0000
Commit: Andreas Sturmlechner <asturm <AT> gentoo <DOT> org>
CommitDate: Sun Mar 24 21:02:43 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=3dfa7389
sci-chemistry/votca: drop 2022
Signed-off-by: Andreas Sturmlechner <asturm <AT> gentoo.org>
sci-chemistry/votca/Manifest | 1 -
sci-chemistry/votca/votca-2022.ebuild | 80 -----------------------------------
2 files changed, 81 deletions(-)
diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest
index a1f13dfe694f..9b95b56c1e77 100644
--- a/sci-chemistry/votca/Manifest
+++ b/sci-chemistry/votca/Manifest
@@ -1,2 +1 @@
DIST votca-2022.1.tar.gz 61692029 BLAKE2B c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e SHA512 dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a
-DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83
diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild
deleted file mode 100644
index 89d10678c31f..000000000000
--- a/sci-chemistry/votca/votca-2022.ebuild
+++ /dev/null
@@ -1,80 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-PYTHON_COMPAT=( python3_{9..10} )
-
-inherit bash-completion-r1 cmake python-single-r1
-
-if [[ ${PV} == *9999 ]]; then
- inherit git-r3
- EGIT_REPO_URI="https://github.com/votca/votca.git"
-else
- if [[ ${PV} = *_rc[1-9] ]]; then
- MY_PV="${PV%%_rc*}-rc.${PV##*_rc}"
- else
- MY_PV="${PV}"
- fi
- SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz"
- KEYWORDS="amd64 ~x86 ~amd64-linux"
- S="${WORKDIR}/votca-${MY_PV}"
-fi
-
-DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications"
-HOMEPAGE="https://www.votca.org/"
-
-LICENSE="Apache-2.0"
-SLOT="0"
-IUSE="+gromacs test"
-REQUIRED_USE="${PYTHON_REQUIRED_USE}"
-RESTRICT="!test? ( test )"
-
-RDEPEND="
- !sci-libs/votca-tools
- !sci-chemistry/votca-csg
- !sci-chemistry/votca-xtp
- ${PYTHON_DEPS}
- app-shells/bash:*
- >=dev-cpp/eigen-3.3
- dev-libs/boost:=
- dev-libs/expat
- sci-libs/fftw:3.0=
- dev-lang/perl
- gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
- sci-libs/libxc
- sci-libs/libint:2
-"
-DEPEND="${RDEPEND}"
-BDEPEND="virtual/pkgconfig"
-
-DOCS=( README.rst NOTICE.rst CHANGELOG.rst )
-
-src_prepare() {
- # espressopp was removed from gentoo
- rm -r ./csg-tutorials/spce/ibi_espressopp || die
- python_fix_shebang .
- cmake_src_prepare
-}
-
-src_configure() {
- local mycmakeargs=(
- -DENABLE_TESTING=$(usex test)
- -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs)
- -DBUILD_CSGAPPS=ON
- -DINSTALL_RC_FILES=OFF
- -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON
- )
- cmake_src_configure
-}
-
-pkg_postinst() {
- einfo
- einfo "Please read and cite:"
- einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)"
- einfo "https://doi.org/10.1021/acs.jctc.8b00617"
- einfo
- einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). "
- einfo "https://dx.doi.org/10.1021/ct900369w"
- einfo
-}
^ permalink raw reply related [flat|nested] 12+ messages in thread
* [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/
@ 2024-04-23 20:37 Sam James
0 siblings, 0 replies; 12+ messages in thread
From: Sam James @ 2024-04-23 20:37 UTC (permalink / raw
To: gentoo-commits
commit: 0327d02cf9b0bc7399ccc57d8e3431100cbf35d9
Author: Sam James <sam <AT> gentoo <DOT> org>
AuthorDate: Tue Apr 23 20:30:09 2024 +0000
Commit: Sam James <sam <AT> gentoo <DOT> org>
CommitDate: Tue Apr 23 20:33:27 2024 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=0327d02c
sci-chemistry/votca: add subslot dep on sci-libs/hdf5
Signed-off-by: Sam James <sam <AT> gentoo.org>
sci-chemistry/votca/{votca-2022.1.ebuild => votca-2022.1-r1.ebuild} | 4 ++--
sci-chemistry/votca/votca-9999.ebuild | 4 ++--
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/sci-chemistry/votca/votca-2022.1.ebuild b/sci-chemistry/votca/votca-2022.1-r1.ebuild
similarity index 96%
rename from sci-chemistry/votca/votca-2022.1.ebuild
rename to sci-chemistry/votca/votca-2022.1-r1.ebuild
index f6ccde06ed4a..ad5aa680498e 100644
--- a/sci-chemistry/votca/votca-2022.1.ebuild
+++ b/sci-chemistry/votca/votca-2022.1-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -41,7 +41,7 @@ RDEPEND="
sci-libs/fftw:3.0=
dev-lang/perl
gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
+ sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2
"
diff --git a/sci-chemistry/votca/votca-9999.ebuild b/sci-chemistry/votca/votca-9999.ebuild
index 5c883cbd44b8..04064219f641 100644
--- a/sci-chemistry/votca/votca-9999.ebuild
+++ b/sci-chemistry/votca/votca-9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -41,7 +41,7 @@ RDEPEND="
sci-libs/fftw:3.0=
dev-lang/perl
gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] )
- sci-libs/hdf5[cxx]
+ sci-libs/hdf5:=[cxx]
sci-libs/libxc
sci-libs/libint:2
"
^ permalink raw reply related [flat|nested] 12+ messages in thread
end of thread, other threads:[~2024-04-23 20:37 UTC | newest]
Thread overview: 12+ messages (download: mbox.gz follow: Atom feed
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2022-06-13 7:13 [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/votca/ Agostino Sarubbo
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2024-04-23 20:37 Sam James
2024-03-24 21:03 Andreas Sturmlechner
2023-12-16 16:17 Arthur Zamarin
2023-05-06 13:36 Pacho Ramos
2022-12-23 16:44 Christoph Junghans
2022-06-12 12:20 Agostino Sarubbo
2022-02-21 16:18 Christoph Junghans
2022-02-20 14:58 Christoph Junghans
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