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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
Commit message (
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Author
Age
Files
Lines
*
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
*
sci-chemistry/votca-csg: Drop 1.5.1
Andreas Sturmlechner
2022-03-01
2
-102
/
+0
*
sci-chemistry/votca-csgapps: Drop 1.5.1
Andreas Sturmlechner
2022-03-01
2
-33
/
+0
*
sci-chemistry/tm-align: update EAPI 6 -> 8
Sam James
2022-02-27
1
-0
/
+24
*
sci-chemistry/pdbmat: port to EAPI 8
Sam James
2022-02-27
2
-10
/
+11
*
sci-chemistry/pdbcat: port to EAPI 8
Sam James
2022-02-27
1
-6
/
+9
*
sci-chemistry/molsketch: add some new deps required for new 0.7.2 version
Andrew Ammerlaan
2022-02-24
1
-0
/
+2
*
sci-chemistry/molsketch: add version 0.7.2
Andrew Ammerlaan
2022-02-24
2
-0
/
+38
*
sci-chemistry/gromacs: New release
Alexey Shvetsov
2022-02-22
3
-33
/
+6
*
sci-chemistry/gromacs: Fix build for musl
Alexey Shvetsov
2022-02-21
3
-0
/
+29
*
sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022
Alexey Shvetsov
2022-02-21
2
-0
/
+27
*
sci-chemistry/votca: fix python dep
Christoph Junghans
2022-02-21
2
-2
/
+22
*
sci-chemistry/votca: fix deps
Christoph Junghans
2022-02-20
2
-3
/
+3
*
sci-chemistry/votca: remove old
Christoph Junghans
2022-02-20
2
-71
/
+0
*
sci-chemistry/votca-xtp: git version moved to sci-chemistry/votca
Christoph Junghans
2022-02-20
1
-52
/
+0
*
sci-chemistry/votca-xtp: remove old
Christoph Junghans
2022-02-20
3
-96
/
+0
*
sci-chemistry/votca-csg: git version moved to sci-chemistry/votca
Christoph Junghans
2022-02-20
1
-86
/
+0
*
sci-chemistry/votca-csg: remove old
Christoph Junghans
2022-02-20
3
-176
/
+0
*
sci-chemistry/votca-csg: fix deps
Christoph Junghans
2022-02-20
5
-10
/
+10
*
sci-chemistry/molden: add version 6.9
Andrew Ammerlaan
2022-02-19
3
-0
/
+169
*
sci-chemistry/gromacs: Fix misspelling
Alexey Shvetsov
2022-02-16
1
-1
/
+1
*
sci-chemistry/ParmEd: Initial import
Alexey Shvetsov
2022-02-16
3
-0
/
+35
*
sci-chemistry/gromacs: Cleanup
Alexey Shvetsov
2022-02-16
2
-354
/
+0
*
sci-chemistry/gromacs: Fix gromacs citaton
Alexey Shvetsov
2022-02-16
12
-37
/
+25
*
sci-chemistry/gromacs: Add missing inherit
Alexey Shvetsov
2022-02-16
2
-2
/
+2
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