[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2024-06-05 Thread Alexey Shvetsov 
commit: 7efaff20543eff251c5493095db6febe5edb52e3
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Wed Jun  5 17:22:41 2024 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Wed Jun  5 17:22:41 2024 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7efaff20

sci-chemistry/MDAnalysis: enable py3.12

Signed-off-by: Alexey Shvetsov  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild
index d407b705b2c5..f83ee1eabaf1 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2023 Gentoo Authors
+# Copyright 1999-2024 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=8
 
-PYTHON_COMPAT=( python3_{9..11} )
+PYTHON_COMPAT=( python3_{10..12} )
 
 DISTUTILS_USE_PEP517=setuptools
 PYPI_NO_NORMALIZE=1
@@ -12,9 +12,9 @@ inherit distutils-r1 pypi
 
 DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
 HOMEPAGE="https://www.mdanalysis.org;
+LICENSE="GPL-2"
 
 SLOT="0"
-LICENSE="GPL-2"
 KEYWORDS="~amd64 ~amd64-linux"
 
 # TODO: fix this

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-10-14 Thread Alexey Shvetsov 
commit: 420e230bc8651f4c6dbc78a97fc9f6b9d26cf83c
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Sat Oct 14 06:17:11 2023 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Sat Oct 14 06:17:11 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=420e230b

sci-chemistry/MDAnalysis: add 2.6.1, drop 2.4.3

Signed-off-by: Alexey Shvetsov  gentoo.org>

 .../MDAnalysis/{MDAnalysis-2.4.3.ebuild => MDAnalysis-2.6.1.ebuild} | 0
 sci-chemistry/MDAnalysis/Manifest   | 2 +-
 2 files changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild
similarity index 100%
rename from sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
rename to sci-chemistry/MDAnalysis/MDAnalysis-2.6.1.ebuild

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index b24016480d20..7a670797adfa 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1 +1 @@
-DIST MDAnalysis-2.4.3.tar.gz 3747565 BLAKE2B 
733be78aa3e57e8bbb9c291606a86d9100cb904cc587fa3e44c4205596b4da7eb5c2247388655dcd145b45ca6ecb47a3f95d7d659d029232d1febd2ebc99ab51
 SHA512 
0870bc392ef8b8fbae68cf60d1df2f5d413f4d1235ca795421061fd32a8fe97867d5bd610288237a59d1075f31cc43d281ab2f1e7e8bb0767dac7d278b8453d8
+DIST MDAnalysis-2.6.1.tar.gz 4173280 BLAKE2B 
14aae62733ace3eff686f6ba6be8326f86ba24c55e3870aa2e5dd88a858ca0de8d89589a622687bec3aafd332d9ccb5d6e6166eb370f56eaf79af5081f3a003e
 SHA512 
421a27e508bcf7845b0c91f40c01bba4a48bf8ba9a3d3ed50fe555336c96fb1f64bccc5cf3ee048130d2eef9b18b8550ed5f73d3459f8962343ba694d00655bb

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-05-20 Thread Pacho Ramos 
commit: 15b653e65be7c5a5ef28b45bc93435027689054b
Author: Pacho Ramos  gentoo  org>
AuthorDate: Sat May 20 11:36:03 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Sat May 20 11:36:03 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=15b653e6

sci-chemistry/MDAnalysis: enable py3.11

Closes: https://bugs.gentoo.org/897194
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
index 0af1d80718b4..d407b705b2c5 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
@@ -3,7 +3,7 @@
 
 EAPI=8
 
-PYTHON_COMPAT=( python3_{9..10} )
+PYTHON_COMPAT=( python3_{9..11} )
 
 DISTUTILS_USE_PEP517=setuptools
 PYPI_NO_NORMALIZE=1

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-05-20 Thread Michał Górny 
commit: a5c4125c4178dda6ed3d31523cd213431ba51abe
Author: Michał Górny  gentoo  org>
AuthorDate: Sat May 20 06:29:21 2023 +
Commit: Michał Górny  gentoo  org>
CommitDate: Sat May 20 06:31:41 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a5c4125c

sci-chemistry/MDAnalysis: Remove old

Signed-off-by: Michał Górny  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild | 39 
 sci-chemistry/MDAnalysis/Manifest|  1 -
 2 files changed, 40 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
deleted file mode 100644
index 5e7d91b36bf3..
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
+++ /dev/null
@@ -1,39 +0,0 @@
-# Copyright 1999-2023 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=8
-
-PYTHON_COMPAT=( python3_{9..10} )
-
-DISTUTILS_USE_PEP517=setuptools
-PYPI_NO_NORMALIZE=1
-
-inherit distutils-r1 pypi
-
-DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="https://www.mdanalysis.org;
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-
-# TODO: fix this
-# ImportError: MDAnalysis not installed properly. This can happen if your C 
extensions have not been built.
-RESTRICT="test"
-
-RDEPEND="
-   >=dev-python/numpy-1.16.0[${PYTHON_USEDEP}]
-   >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
-   >=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
-   >=dev-python/networkx-1.0[${PYTHON_USEDEP}]
-   >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
-   >=dev-python/joblib-0.12[${PYTHON_USEDEP}]
-   >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
-   >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
-   >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
-   >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
-   dev-python/threadpoolctl[${PYTHON_USEDEP}]
-"
-BDEPEND="${RDEPEND}"
-
-distutils_enable_tests pytest

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index ce48cb3b96d6..b24016480d20 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1,2 +1 @@
-DIST MDAnalysis-2.4.1.tar.gz 3746899 BLAKE2B 
af63f74a31dcde8a68cbffe5158f2f955d5eda1345bcff6a19e8df3284101b1e85006de3326d29d4fe1867dc6b0c5f55467b9e3242704f97440c6a43b52f47b8
 SHA512 
796dad98c26bd36f30db166bea5ff782aa5e3ac5cddb1675b628fb753a4f645fb27e06d3986047e2ba21a22cd91f96d0ba8e529256ed960a2b7cf95204076927
 DIST MDAnalysis-2.4.3.tar.gz 3747565 BLAKE2B 
733be78aa3e57e8bbb9c291606a86d9100cb904cc587fa3e44c4205596b4da7eb5c2247388655dcd145b45ca6ecb47a3f95d7d659d029232d1febd2ebc99ab51
 SHA512 
0870bc392ef8b8fbae68cf60d1df2f5d413f4d1235ca795421061fd32a8fe97867d5bd610288237a59d1075f31cc43d281ab2f1e7e8bb0767dac7d278b8453d8

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-05-20 Thread Michał Górny 
commit: 4fa363bada3a444f79eaa7e7b2d46420c1a0e399
Author: Michał Górny  gentoo  org>
AuthorDate: Sat May 20 06:30:11 2023 +
Commit: Michał Górny  gentoo  org>
CommitDate: Sat May 20 06:31:42 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=4fa363ba

sci-chemistry/MDAnalysis: Remove ~x86 because of broken deps

Bug: https://bugs.gentoo.org/833832
Signed-off-by: Michał Górny  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
index 5e7d91b36bf3..0af1d80718b4 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
@@ -15,7 +15,7 @@ HOMEPAGE="https://www.mdanalysis.org;
 
 SLOT="0"
 LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+KEYWORDS="~amd64 ~amd64-linux"
 
 # TODO: fix this
 # ImportError: MDAnalysis not installed properly. This can happen if your C 
extensions have not been built.

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-05-02 Thread Pacho Ramos 
commit: 618bc6c662f2658d4e245c75143a2d3189015f91
Author: Pacho Ramos  gentoo  org>
AuthorDate: Tue May  2 18:33:23 2023 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Tue May  2 18:42:46 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=618bc6c6

sci-chemistry/MDAnalysis: add 2.4.3

Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild | 39 
 sci-chemistry/MDAnalysis/Manifest|  1 +
 2 files changed, 40 insertions(+)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
new file mode 100644
index ..5e7d91b36bf3
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.3.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2023 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{9..10} )
+
+DISTUTILS_USE_PEP517=setuptools
+PYPI_NO_NORMALIZE=1
+
+inherit distutils-r1 pypi
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
+HOMEPAGE="https://www.mdanalysis.org;
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+# TODO: fix this
+# ImportError: MDAnalysis not installed properly. This can happen if your C 
extensions have not been built.
+RESTRICT="test"
+
+RDEPEND="
+   >=dev-python/numpy-1.16.0[${PYTHON_USEDEP}]
+   >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+   >=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+   >=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+   >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+   >=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+   >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+   >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+   >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+   >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+   dev-python/threadpoolctl[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests pytest

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index 81a4e8053d86..ce48cb3b96d6 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1 +1,2 @@
 DIST MDAnalysis-2.4.1.tar.gz 3746899 BLAKE2B 
af63f74a31dcde8a68cbffe5158f2f955d5eda1345bcff6a19e8df3284101b1e85006de3326d29d4fe1867dc6b0c5f55467b9e3242704f97440c6a43b52f47b8
 SHA512 
796dad98c26bd36f30db166bea5ff782aa5e3ac5cddb1675b628fb753a4f645fb27e06d3986047e2ba21a22cd91f96d0ba8e529256ed960a2b7cf95204076927
+DIST MDAnalysis-2.4.3.tar.gz 3747565 BLAKE2B 
733be78aa3e57e8bbb9c291606a86d9100cb904cc587fa3e44c4205596b4da7eb5c2247388655dcd145b45ca6ecb47a3f95d7d659d029232d1febd2ebc99ab51
 SHA512 
0870bc392ef8b8fbae68cf60d1df2f5d413f4d1235ca795421061fd32a8fe97867d5bd610288237a59d1075f31cc43d281ab2f1e7e8bb0767dac7d278b8453d8

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2023-03-17 Thread Michał Górny 
commit: 06c822c1d19968c64d712610dff268baaf486c78
Author: Michał Górny  gentoo  org>
AuthorDate: Fri Mar 17 12:00:21 2023 +
Commit: Michał Górny  gentoo  org>
CommitDate: Fri Mar 17 15:28:39 2023 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=06c822c1

sci-chemistry/MDAnalysis: Use pypi.eclass

Signed-off-by: Michał Górny  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
index 346d11a4f660..5e7d91b36bf3 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
@@ -6,12 +6,12 @@ EAPI=8
 PYTHON_COMPAT=( python3_{9..10} )
 
 DISTUTILS_USE_PEP517=setuptools
+PYPI_NO_NORMALIZE=1
 
-inherit distutils-r1
+inherit distutils-r1 pypi
 
 DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
 HOMEPAGE="https://www.mdanalysis.org;
-SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
 
 SLOT="0"
 LICENSE="GPL-2"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2022-12-25 Thread Alexey Shvetsov 
commit: 1b327b9680ee5a6b83e2f600aa177da6796152a5
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Sun Dec 25 22:13:18 2022 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Sun Dec 25 22:14:59 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=1b327b96

sci-chemistry/MDAnalysis: Version bump. No longer depend on nose

Closes: https://bugs.gentoo.org/765160
Closes: https://bugs.gentoo.org/878723
Signed-off-by: Alexey Shvetsov  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild   | 37 --
 ...alysis-2.0.0.ebuild => MDAnalysis-2.4.1.ebuild} |  6 ++--
 sci-chemistry/MDAnalysis/Manifest  |  3 +-
 3 files changed, 5 insertions(+), 41 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
deleted file mode 100644
index 1f9c2ac3aa5e..
--- a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
+++ /dev/null
@@ -1,37 +0,0 @@
-# Copyright 1999-2022 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-PYTHON_COMPAT=( python3_{7..10} )
-
-inherit distutils-r1
-
-DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="https://www.mdanalysis.org;
-SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RDEPEND="
-   >=dev-python/numpy-1.13.3[${PYTHON_USEDEP}]
-   >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
-   >=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
-   >=dev-python/networkx-1.0[${PYTHON_USEDEP}]
-   >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
-   >=dev-python/joblib-0.12[${PYTHON_USEDEP}]
-   >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
-   dev-python/netcdf4-python[${PYTHON_USEDEP}]
-   >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
-   >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
-   dev-python/mock[${PYTHON_USEDEP}]
-   dev-python/duecredit[${PYTHON_USEDEP}]
-   >=dev-python/six-1.4.0[${PYTHON_USEDEP}]
-   >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
-"
-BDEPEND="${RDEPEND}"
-
-distutils_enable_tests nose

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
similarity index 91%
rename from sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
rename to sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
index aee4e82b683e..5d561772ca51 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.4.1.ebuild
@@ -1,10 +1,12 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=8
 
 PYTHON_COMPAT=( python3_{8..10} )
 
+DISTUTILS_USE_PEP517=setuptools
+
 inherit distutils-r1
 
 DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
@@ -34,4 +36,4 @@ RDEPEND="
 "
 BDEPEND="${RDEPEND}"
 
-distutils_enable_tests nose
+distutils_enable_tests pytest

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index 721870b0e526..81a4e8053d86 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1,2 +1 @@
-DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B 
dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f
 SHA512 
4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195
-DIST MDAnalysis-2.0.0.tar.gz 3436654 BLAKE2B 
b29734dd61bfa1e4e1d6ead0eb9a2d00869d1adce18edf95b9368bdcc16b0d71d0d6536a7df48787034a623bf52585e1636842dcaaa9dde08a69576868c1657b
 SHA512 
037eb3c709b9ddbdb2ba9b26a6632ff99a95331c3968176573076e4e208c8644c3ea262e1e9880f185eb080ff90180d887444cab0dfbfad04fc254d87f1ff986
+DIST MDAnalysis-2.4.1.tar.gz 3746899 BLAKE2B 
af63f74a31dcde8a68cbffe5158f2f955d5eda1345bcff6a19e8df3284101b1e85006de3326d29d4fe1867dc6b0c5f55467b9e3242704f97440c6a43b52f47b8
 SHA512 
796dad98c26bd36f30db166bea5ff782aa5e3ac5cddb1675b628fb753a4f645fb27e06d3986047e2ba21a22cd91f96d0ba8e529256ed960a2b7cf95204076927

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2022-01-13 Thread Alexey Shvetsov 
commit: 8d0960905e8f8f0a9502131aaf78a52e80163c00
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Thu Jan 13 16:15:00 2022 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Thu Jan 13 16:15:00 2022 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=8d096090

sci-chemistry/MDAnalysis: add py 3.10

Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Alexey Shvetsov  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
index 0b58e90489e4..1f9c2ac3aa5e 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2021 Gentoo Authors
+# Copyright 1999-2022 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=7
 
-PYTHON_COMPAT=( python3_{7..9} )
+PYTHON_COMPAT=( python3_{7..10} )
 
 inherit distutils-r1

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2021-12-28 Thread Andrew Ammerlaan 
commit: 92f34d724c7f8432501c18805fbab24a33e8122a
Author: Andrew Ammerlaan  gentoo  org>
AuthorDate: Tue Dec 28 13:59:50 2021 +
Commit: Andrew Ammerlaan  gentoo  org>
CommitDate: Tue Dec 28 14:15:01 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=92f34d72

sci-chemistry/MDAnalysis: add version 2.0.0, enable py3.10

Package-Manager: Portage-3.0.30, Repoman-3.0.3
Signed-off-by: Andrew Ammerlaan  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild | 37 
 sci-chemistry/MDAnalysis/Manifest|  1 +
 2 files changed, 38 insertions(+)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
new file mode 100644
index ..aee4e82b683e
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-2.0.0.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=8
+
+PYTHON_COMPAT=( python3_{8..10} )
+
+inherit distutils-r1
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
+HOMEPAGE="https://www.mdanalysis.org;
+SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+
+# TODO: fix this
+# ImportError: MDAnalysis not installed properly. This can happen if your C 
extensions have not been built.
+RESTRICT="test"
+
+RDEPEND="
+   >=dev-python/numpy-1.16.0[${PYTHON_USEDEP}]
+   >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+   >=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+   >=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+   >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+   >=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+   >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+   >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+   >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+   >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+   dev-python/threadpoolctl[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests nose

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index 5a903a9f3b7f..721870b0e526 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1 +1,2 @@
 DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B 
dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f
 SHA512 
4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195
+DIST MDAnalysis-2.0.0.tar.gz 3436654 BLAKE2B 
b29734dd61bfa1e4e1d6ead0eb9a2d00869d1adce18edf95b9368bdcc16b0d71d0d6536a7df48787034a623bf52585e1636842dcaaa9dde08a69576868c1657b
 SHA512 
037eb3c709b9ddbdb2ba9b26a6632ff99a95331c3968176573076e4e208c8644c3ea262e1e9880f185eb080ff90180d887444cab0dfbfad04fc254d87f1ff986

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2021-01-18 Thread David Seifert 
commit: aa90b8ac893c274dfdea2b0706dc7a8476d39974
Author: Jakov Smolic  sartura  hr>
AuthorDate: Mon Jan 18 10:14:10 2021 +
Commit: David Seifert  gentoo  org>
CommitDate: Mon Jan 18 10:14:10 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=aa90b8ac

sci-chemistry/MDAnalysis: Remove old

Signed-off-by: Jakov Smolic  sartura.hr>
Signed-off-by: David Seifert  gentoo.org>

 .../MDAnalysis/MDAnalysis-0.18.0-r1.ebuild | 34 --
 sci-chemistry/MDAnalysis/Manifest  |  1 -
 2 files changed, 35 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
deleted file mode 100644
index 688fa93d394..000
--- a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
+++ /dev/null
@@ -1,34 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-PYTHON_COMPAT=( python3_{6,7} )
-
-inherit distutils-r1
-
-DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="https://www.mdanalysis.org;
-SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RDEPEND="
-   dev-python/numpy[${PYTHON_USEDEP}]
-   dev-python/scipy[${PYTHON_USEDEP}]
-   sci-biology/biopython[${PYTHON_USEDEP}]
-   dev-python/networkx[${PYTHON_USEDEP}]
-   dev-python/GridDataFormats[${PYTHON_USEDEP}]
-   dev-python/netcdf4-python[${PYTHON_USEDEP}]
-   dev-python/mmtf-python[${PYTHON_USEDEP}]
-   dev-python/gsd[${PYTHON_USEDEP}]
-   dev-python/mock[${PYTHON_USEDEP}]
-   dev-python/duecredit[${PYTHON_USEDEP}]
-"
-BDEPEND="${RDEPEND}
-   test? ( dev-python/nose[${PYTHON_USEDEP}] )"
-
-RESTRICT="!test? ( test )"

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index 2936149307d..5a903a9f3b7 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1,2 +1 @@
-DIST MDAnalysis-0.18.0.tar.gz 11085390 BLAKE2B 
70b5530a0800370fbee2805d8c4cb495f2e339b29c13c0a2442e3310c1b941ccf459a19d0a490c47a28b77ffeeaca581100ef06b7196cb9fcdb1b71d5d0c871f
 SHA512 
b235471c04ab2e117fe25e972d88a6245b1641f96d30eafd2f68949c8af8c1360eed49b1ec9960d8c386c0bbca8b3749cec322eb19f9975f15225983af0f5819
 DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B 
dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f
 SHA512 
4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2021-01-12 Thread Pacho Ramos 
commit: 7325681c413ad11ed3bcfab315acf9abdd0eaded
Author: Pacho Ramos  gentoo  org>
AuthorDate: Tue Jan 12 20:22:46 2021 +
Commit: Pacho Ramos  gentoo  org>
CommitDate: Tue Jan 12 20:22:46 2021 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=7325681c

sci-chemistry/MDAnalysis: Bump to 1.0.0

Package-Manager: Portage-3.0.12, Repoman-3.0.2
Signed-off-by: Pacho Ramos  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild | 37 
 sci-chemistry/MDAnalysis/Manifest|  1 +
 2 files changed, 38 insertions(+)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
new file mode 100644
index 000..bf88aac4720
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-1.0.0.ebuild
@@ -0,0 +1,37 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+PYTHON_COMPAT=( python3_{6..9} )
+
+inherit distutils-r1
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
+HOMEPAGE="https://www.mdanalysis.org;
+SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+   >=dev-python/numpy-1.13.3[${PYTHON_USEDEP}]
+   >=dev-python/scipy-1.0.0[${PYTHON_USEDEP}]
+   >=sci-biology/biopython-1.71[${PYTHON_USEDEP}]
+   >=dev-python/networkx-1.0[${PYTHON_USEDEP}]
+   >=dev-python/GridDataFormats-0.4.0[${PYTHON_USEDEP}]
+   >=dev-python/joblib-0.12[${PYTHON_USEDEP}]
+   >=dev-python/matplotlib-1.5.1[${PYTHON_USEDEP}]
+   dev-python/netcdf4-python[${PYTHON_USEDEP}]
+   >=dev-python/mmtf-python-1.0.0[${PYTHON_USEDEP}]
+   >=dev-python/gsd-1.9.3[${PYTHON_USEDEP}]
+   dev-python/mock[${PYTHON_USEDEP}]
+   dev-python/duecredit[${PYTHON_USEDEP}]
+   >=dev-python/six-1.4.0[${PYTHON_USEDEP}]
+   >=dev-python/tqdm-4.43.0[${PYTHON_USEDEP}]
+"
+BDEPEND="${RDEPEND}"
+
+distutils_enable_tests nose

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
index 3f78fef8223..2936149307d 100644
--- a/sci-chemistry/MDAnalysis/Manifest
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -1 +1,2 @@
 DIST MDAnalysis-0.18.0.tar.gz 11085390 BLAKE2B 
70b5530a0800370fbee2805d8c4cb495f2e339b29c13c0a2442e3310c1b941ccf459a19d0a490c47a28b77ffeeaca581100ef06b7196cb9fcdb1b71d5d0c871f
 SHA512 
b235471c04ab2e117fe25e972d88a6245b1641f96d30eafd2f68949c8af8c1360eed49b1ec9960d8c386c0bbca8b3749cec322eb19f9975f15225983af0f5819
+DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B 
dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f
 SHA512 
4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2019-12-26 Thread David Seifert 
commit: 37e13bcc798fe5b8cd5d5a1335a07494db32bde2
Author: David Seifert  gentoo  org>
AuthorDate: Thu Dec 26 20:46:37 2019 +
Commit: David Seifert  gentoo  org>
CommitDate: Thu Dec 26 20:46:37 2019 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=37e13bcc

sci-chemistry/MDAnalysis: Remove Py2

Package-Manager: Portage-2.3.83, Repoman-2.3.20
Signed-off-by: David Seifert  gentoo.org>

 sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
index 0e9af8987fa..2a45b995a89 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
@@ -3,7 +3,7 @@
 
 EAPI=7
 
-PYTHON_COMPAT=( python2_7 python3_{5,6,7} )
+PYTHON_COMPAT=( python3_{5,6,7} )
 
 inherit distutils-r1

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2019-11-17 Thread Alexey Shvetsov 
commit: 01df3052f505005441ca849cf0d7e47fe8d48f6a
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Sun Nov 17 15:11:32 2019 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Sun Nov 17 15:12:13 2019 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=01df3052

sci-chemistry/MDAnalysis: move to py3.7 and eapi7

Package-Manager: Portage-2.3.79, Repoman-2.3.18
Signed-off-by: Alexey Shvetsov  gentoo.org>

 ...nalysis-0.18.0.ebuild => MDAnalysis-0.18.0-r1.ebuild} | 10 ++
 sci-chemistry/MDAnalysis/metadata.xml| 16 
 2 files changed, 18 insertions(+), 8 deletions(-)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
similarity index 85%
rename from sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild
rename to sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
index 65fd1f237e7..0e9af8987fa 100644
--- a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild
@@ -1,9 +1,9 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2019 Gentoo Authors
 # Distributed under the terms of the GNU General Public License v2
 
-EAPI=6
+EAPI=7
 
-PYTHON_COMPAT=( python{2_7,3_5,3_6} )
+PYTHON_COMPAT=( python2_7 python3_{5,6,7} )
 
 inherit distutils-r1
 
@@ -28,5 +28,7 @@ RDEPEND="
dev-python/mock[${PYTHON_USEDEP}]
dev-python/duecredit[${PYTHON_USEDEP}]
 "
-DEPEND="${RDEPEND}
+BDEPEND="${RDEPEND}
test? ( dev-python/nose[${PYTHON_USEDEP}] )"
+
+RESTRICT="!test? ( test )"

diff --git a/sci-chemistry/MDAnalysis/metadata.xml 
b/sci-chemistry/MDAnalysis/metadata.xml
index 8425c0d53cb..6b7aa8ce58a 100644
--- a/sci-chemistry/MDAnalysis/metadata.xml
+++ b/sci-chemistry/MDAnalysis/metadata.xml
@@ -1,8 +1,16 @@
 
 http://www.gentoo.org/dtd/metadata.dtd;>
 
-  
-s...@gentoo.org
-Gentoo Science Project
-  
+   
+   s...@gentoo.org
+   Gentoo Science Project
+   
+   
+   ale...@gentoo.org
+   Alexey Shvetsov
+   
+   
+   MDAnalysis
+   MDAnalysis/MDAnalysis
+

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/mdanalysis/, profiles/updates/

2018-06-28 Thread Alexey Shvetsov 
commit: e9411bcc454e0ce7757e44c1090792c61032b1fe
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Thu Jun 28 12:18:56 2018 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Thu Jun 28 12:20:20 2018 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e9411bcc

profiles/updates: sci-chemistry/mdanalysis is now sci-chemistry/MDAnalysis

Signed-off-by: Alexey Shvetsov  gentoo.org>

 profiles/updates/2Q-2018 |  1 +
 sci-chemistry/mdanalysis/Manifest|  1 -
 sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild | 34 
 sci-chemistry/mdanalysis/metadata.xml|  8 --
 4 files changed, 1 insertion(+), 43 deletions(-)

diff --git a/profiles/updates/2Q-2018 b/profiles/updates/2Q-2018
index 7627f33add8..bcaf83bb7dc 100644
--- a/profiles/updates/2Q-2018
+++ b/profiles/updates/2Q-2018
@@ -16,3 +16,4 @@ move kde-apps/okteta app-editors/okteta
 move games-puzzle/triptych-demo games-puzzle/triptych
 move media-sound/teamspeak-client-bin media-sound/teamspeak-client
 move media-sound/teamspeak-server-bin media-sound/teamspeak-server
+move sci-chemistry/mdanalysis sci-chemistry/MDAnalysis

diff --git a/sci-chemistry/mdanalysis/Manifest 
b/sci-chemistry/mdanalysis/Manifest
deleted file mode 100644
index f99fa2210e2..000
--- a/sci-chemistry/mdanalysis/Manifest
+++ /dev/null
@@ -1 +0,0 @@
-DIST MDAnalysis-0.7.7.tar.gz 3262287 BLAKE2B 
e1161e44f40de99b425e5f9667c9d207ecc7ec5fd93b1d29bfaad52a0dc532f09ed754dc9c5898a273363a770c9ecec863286fcc40dc0296dbc5e2e20a91a1a4
 SHA512 
c26085c767ec213d5aa27709029e5a3b9df786c10e23e3841ffc9644e2fd66c8add0358f013c51a95fa3452c5c900b44901db736830504b669916ea45a924712

diff --git a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild 
b/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
deleted file mode 100644
index adb280c4b63..000
--- a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
+++ /dev/null
@@ -1,34 +0,0 @@
-# Copyright 1999-2018 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit distutils-r1
-
-MY_PN="MDAnalysis"
-MY_P="${MY_PN}-${PV}"
-
-DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="https://www.mdanalysis.org;
-SRC_URI="https://mdanalysis.googlecode.com/files/${MY_P}.tar.gz;
-
-SLOT="0"
-LICENSE="GPL-2"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="test"
-
-RDEPEND="
-   dev-python/numpy[${PYTHON_USEDEP}]
-   sci-libs/scipy[${PYTHON_USEDEP}]
-   sci-biology/biopython[${PYTHON_USEDEP}]
-   dev-python/networkx[${PYTHON_USEDEP}]
-   dev-python/scientificpython[${PYTHON_USEDEP}]
-   dev-python/GridDataFormats[${PYTHON_USEDEP}]
-   dev-python/netcdf4-python[${PYTHON_USEDEP}]
-"
-DEPEND="${RDEPEND}
-   test? ( dev-python/nose[${PYTHON_USEDEP}] )"
-
-S="${WORKDIR}"/${MY_P}

diff --git a/sci-chemistry/mdanalysis/metadata.xml 
b/sci-chemistry/mdanalysis/metadata.xml
deleted file mode 100644
index 8425c0d53cb..000
--- a/sci-chemistry/mdanalysis/metadata.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-
-http://www.gentoo.org/dtd/metadata.dtd;>
-
-  
-s...@gentoo.org
-Gentoo Science Project
-  
-

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/MDAnalysis/

2018-06-28 Thread Alexey Shvetsov 
commit: 52b65f613d94a72a710c7f5a7efbda540516fb2e
Author: Alexey Shvetsov  gentoo  org>
AuthorDate: Thu Jun 28 12:17:31 2018 +
Commit: Alexey Shvetsov  gentoo  org>
CommitDate: Thu Jun 28 12:20:16 2018 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=52b65f61

sci-chemistry/MDAnalysis: Version bump

Package-Manager: Portage-2.3.40, Repoman-2.3.9

 sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild | 32 +++
 sci-chemistry/MDAnalysis/Manifest |  1 +
 sci-chemistry/MDAnalysis/metadata.xml |  8 ++
 3 files changed, 41 insertions(+)

diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild 
b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild
new file mode 100644
index 000..65fd1f237e7
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0.ebuild
@@ -0,0 +1,32 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python{2_7,3_5,3_6} )
+
+inherit distutils-r1
+
+DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
+HOMEPAGE="https://www.mdanalysis.org;
+SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+   dev-python/numpy[${PYTHON_USEDEP}]
+   sci-libs/scipy[${PYTHON_USEDEP}]
+   sci-biology/biopython[${PYTHON_USEDEP}]
+   dev-python/networkx[${PYTHON_USEDEP}]
+   dev-python/GridDataFormats[${PYTHON_USEDEP}]
+   dev-python/netcdf4-python[${PYTHON_USEDEP}]
+   dev-python/mmtf-python[${PYTHON_USEDEP}]
+   dev-python/gsd[${PYTHON_USEDEP}]
+   dev-python/mock[${PYTHON_USEDEP}]
+   dev-python/duecredit[${PYTHON_USEDEP}]
+"
+DEPEND="${RDEPEND}
+   test? ( dev-python/nose[${PYTHON_USEDEP}] )"

diff --git a/sci-chemistry/MDAnalysis/Manifest 
b/sci-chemistry/MDAnalysis/Manifest
new file mode 100644
index 000..3f78fef8223
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/Manifest
@@ -0,0 +1 @@
+DIST MDAnalysis-0.18.0.tar.gz 11085390 BLAKE2B 
70b5530a0800370fbee2805d8c4cb495f2e339b29c13c0a2442e3310c1b941ccf459a19d0a490c47a28b77ffeeaca581100ef06b7196cb9fcdb1b71d5d0c871f
 SHA512 
b235471c04ab2e117fe25e972d88a6245b1641f96d30eafd2f68949c8af8c1360eed49b1ec9960d8c386c0bbca8b3749cec322eb19f9975f15225983af0f5819

diff --git a/sci-chemistry/MDAnalysis/metadata.xml 
b/sci-chemistry/MDAnalysis/metadata.xml
new file mode 100644
index 000..8425c0d53cb
--- /dev/null
+++ b/sci-chemistry/MDAnalysis/metadata.xml
@@ -0,0 +1,8 @@
+
+http://www.gentoo.org/dtd/metadata.dtd;>
+
+  
+s...@gentoo.org
+Gentoo Science Project
+  
+

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/mdanalysis/

2018-05-16 Thread Aaron Bauman 
commit: a7376d65f0c6667ea04e3a8539a3358c518ac25a
Author: Michael Mair-Keimberger  gmail  com>
AuthorDate: Tue May 15 10:25:59 2018 +
Commit: Aaron Bauman  gentoo  org>
CommitDate: Wed May 16 22:56:50 2018 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=a7376d65

sci-chemistry/mdanalysis: use HTTPS

 sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild 
b/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
index 763061028d4..adb280c4b63 100644
--- a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
+++ b/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2018 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
 
 EAPI=5
@@ -11,7 +11,7 @@ MY_PN="MDAnalysis"
 MY_P="${MY_PN}-${PV}"
 
 DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="http://www.mdanalysis.org/;
+HOMEPAGE="https://www.mdanalysis.org;
 SRC_URI="https://mdanalysis.googlecode.com/files/${MY_P}.tar.gz;
 
 SLOT="0"

[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/mdanalysis/

2015-09-01 Thread Tobias Klausmann 
commit: e5b098f3877505ad2897a85614263511c4fc3081
Author: Tobias Klausmann  gentoo  org>
AuthorDate: Tue Sep  1 19:57:53 2015 +
Commit: Tobias Klausmann  gentoo  org>
CommitDate: Tue Sep  1 19:57:53 2015 +
URL:https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=e5b098f3

sci-chemistry/mdanalysis: Fixing HOMEPAGE move due to code.google.com shutdown

Package-Manager: portage-2.2.20.1

 sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild 
b/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
index aab3656..09aa042 100644
--- a/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
+++ b/sci-chemistry/mdanalysis/mdanalysis-0.7.7.ebuild
@@ -12,7 +12,7 @@ MY_PN="MDAnalysis"
 MY_P="${MY_PN}-${PV}"
 
 DESCRIPTION="A python library to analyze and manipulate molecular dynamics 
trajectories"
-HOMEPAGE="https://code.google.com/p/mdanalysis/;
+HOMEPAGE="http://www.mdanalysis.org/;
 SRC_URI="https://mdanalysis.googlecode.com/files/${MY_P}.tar.gz;
 
 SLOT="0"