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repo/sync/gentoo.git
master
stable
Sync-friendly git mirror of repo/gentoo with caches and metadata
Michał Górny <mgorny@gentoo.org>
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sci-chemistry
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Author
Age
Files
Lines
*
sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388
Arthur Zamarin
2022-07-06
1
-1
/
+1
*
sci-chemistry/dssp: Keyword 3.0.11 arm64, #856388
Arthur Zamarin
2022-07-06
1
-1
/
+1
*
sci-chemistry/gromacs: Update 9999
Alexey Shvetsov
2022-07-04
1
-1
/
+2
*
sci-chemistry/gromacs: arm was dropped upstream since 2022.x
Alexey Shvetsov
2022-07-04
3
-3
/
+6
*
sci-chemistry/gromacs: eneble py3.11
Alexey Shvetsov
2022-07-04
4
-4
/
+4
*
sci-chemistry/gromacs: enable py3.11
Alexey Shvetsov
2022-07-04
2
-2
/
+2
*
sci-chemistry/gromacs: enable py3.11
Alexey Shvetsov
2022-07-04
1
-1
/
+1
*
sci-chemistry/gromacs: enable py3.11
Alexey Shvetsov
2022-07-04
1
-1
/
+1
*
sci-chemistry/gromacs: drop 2022
Alexey Shvetsov
2022-07-04
2
-338
/
+0
*
sci-chemistry/gromacs: add 2022.2
Alexey Shvetsov
2022-07-04
2
-0
/
+338
*
sci-chemistry/molequeue: enable py3.10, py3.11 and disable py3.7
Andrew Ammerlaan
2022-06-15
1
-4
/
+8
*
sci-chemistry/votca: x86 stable wrt bug #846386
Agostino Sarubbo
2022-06-13
1
-1
/
+1
*
sci-chemistry/votca: amd64 stable wrt bug #846386
Agostino Sarubbo
2022-06-12
1
-1
/
+1
*
sci-chemistry/openbabel: fix build with GCC 12
Sam James
2022-06-12
2
-0
/
+36
*
sci-chemistry/molsketch: drop 0.4.1-r1
Pacho Ramos
2022-06-09
3
-72
/
+0
*
sci-chemistry/molsketch: Needs to be rebuilt with openbabel subslot changes
Pacho Ramos
2022-06-09
1
-1
/
+1
*
sci-chemistry/gromacs: Keyword 2022.1 arm, #834865
Sam James
2022-06-02
1
-1
/
+1
*
sci-chemistry/dssp: Keyword 3.0.11 arm, #834865
Sam James
2022-06-02
1
-2
/
+2
*
sci-chemistry/pymol: Fix desktop file, LICENSE and restrict values
Pacho Ramos
2022-05-22
1
-0
/
+98
*
sci-chemistry/vmd: drop 1.9.4_alpha51
Pacho Ramos
2022-05-20
2
-271
/
+0
*
sci-chemistry/vmd: add 1.9.4_alpha57
Pacho Ramos
2022-05-20
2
-0
/
+271
*
sci-chemistry/openbabel: [QA] use tc-check-openmp correctly
David Seifert
2022-05-16
2
-2
/
+10
*
sci-chemistry/tinker: [QA] tc-has-openmp → tc-check-openmp
David Seifert
2022-05-14
1
-2
/
+7
*
sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmp
David Seifert
2022-05-14
12
-36
/
+33
*
sci-chemistry/gromacs: dropped unused eclass
Alexey Shvetsov
2022-04-28
2
-2
/
+2
*
sci-chemistry/gromacs: add 2022.1
Alexey Shvetsov
2022-04-28
2
-0
/
+339
*
sci-chemistry/gelemental: add 2.0.1
Matthias Maier
2022-04-24
3
-0
/
+67
*
sci-chemistry/openbabel: Resurect opebabel[python]
Alexey Shvetsov
2022-04-15
1
-0
/
+104
*
sci-chemistry/modeller: enable py3.10
Alexey Shvetsov
2022-04-08
1
-3
/
+3
*
sci-chemistry/pymol: enable py3.10
Alexey Shvetsov
2022-04-08
1
-17
/
+3
*
sci-chemistry/openbabel-perl: Remove last-rited package
Andreas Sturmlechner
2022-04-05
4
-102
/
+0
*
sci-chemistry/votca-ctp: Remove last-rited package
Andreas Sturmlechner
2022-03-30
3
-87
/
+0
*
sci-chemistry/mm-align: treeclean
Jakov Smolić
2022-03-28
4
-55
/
+0
*
sci-chemistry/procheck: [QA] fix tc-get* quoting
Sam James
2022-03-20
1
-3
/
+3
*
sci-chemistry/mustang: [QA] fix tc-get* quoting
Sam James
2022-03-20
1
-2
/
+2
*
sci-chemistry/mopac7: [QA] fix tc-get* quoting
Sam James
2022-03-20
1
-2
/
+2
*
sci-chemistry/moldy: [QA] fix tc-get* quoting
Sam James
2022-03-20
1
-2
/
+2
*
sci-chemistry/gperiodic: [QA] fix tc-get* quoting
Sam James
2022-03-20
1
-2
/
+2
*
sci-chemistry/dssp: Keyword 4.0.4 x86, #834864
Jakov Smolić
2022-03-17
1
-1
/
+1
*
sci-chemistry/dssp: Bump to 4.0.4
Pacho Ramos
2022-03-13
2
-0
/
+32
*
sci-chemistry/openbabel: fix WhitespaceFound
Sam James
2022-03-10
2
-3
/
+3
*
sci-chemistry/openbabel: Drop 2.4.1-r2
Andreas Sturmlechner
2022-03-07
4
-268
/
+0
*
sci-chemistry/openbabel: Stabilize 3.1.1_p20210225 x86, #834115
Jakov Smolić
2022-03-07
1
-1
/
+1
*
sci-chemistry/openbabel: Stabilize 3.1.1_p20210225 amd64, #834115
Jakov Smolić
2022-03-07
1
-2
/
+2
*
sci-chemistry/tm-align: Drop 20150914 (r0)
Andreas Sturmlechner
2022-03-06
1
-26
/
+0
*
sci-chemistry/tm-align: x86 stable wrt bug #834302
Agostino Sarubbo
2022-03-06
1
-1
/
+1
*
sci-chemistry/tm-align: ppc64 stable wrt bug #834302
Agostino Sarubbo
2022-03-06
1
-1
/
+1
*
sci-chemistry/tm-align: amd64 stable wrt bug #834302
Agostino Sarubbo
2022-03-06
1
-1
/
+1
*
sci-chemistry/avogadro2: Drop 1.93.0
Andreas Sturmlechner
2022-03-05
2
-57
/
+0
*
sci-chemistry/avogadro2: add version 1.95.1
Andrew Ammerlaan
2022-03-04
3
-0
/
+99
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