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* sci-chemistry/chimera: add 1.17.3Pacho Ramos2023-10-192-0/+94
| | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chimera: update HOMEPAGEPacho Ramos2023-05-041-1/+1
| | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/pymol-plugins-psico: treecleanAndrew Ammerlaan2023-05-023-42/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/freeon: treecleanAndrew Ammerlaan2023-05-022-38/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/chimera: new package, add 1.17.1Pacho Ramos2023-04-283-0/+107
| | | | | | | | | By the way, as chimera-bin was dropped, use a non "-bin" name as there is no source version for this https://devmanual.gentoo.org/ebuild-writing/file-format/index.html#binary-packages Closes: https://bugs.gentoo.org/903559 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/rosetta-tools: treecleanAndrew Ammerlaan2023-04-253-41/+0
| | | | | Closes: https://bugs.gentoo.org/902383 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/nmrview: treecleanAndrew Ammerlaan2023-04-256-100/+0
| | | | | Bug: https://bugs.gentoo.org/902383 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/ligplot+: treecleanAndrew Ammerlaan2023-04-253-51/+0
| | | | | Bug: https://bugs.gentoo.org/902383 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/mage: treeclean, unavailable depsAndrew Ammerlaan2023-04-255-76/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/chimera-bin: treeclean, unavailable depsAndrew Ammerlaan2023-04-254-202/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/nmrpipe: add 8.7.20230206, drop 8.7.20200827Andrew Ammerlaan2023-02-242-7/+7
| | | | | Closes: https://bugs.gentoo.org/835334 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/gamess: quote SAndrew Ammerlaan2023-02-101-1/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/concoord: drop 2.1Andrew Ammerlaan2023-02-102-34/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/relion: Update relion ebuildsAlexey Shvetsov2023-02-014-2/+99
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/ctffind: add 4.1.10, 4.1.13Alexey Shvetsov2023-02-013-0/+76
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/relion: update ManifestAndrew Ammerlaan2023-01-031-1/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/relion: add 4.0.0, drop 3.1.1Alexey Shvetsov2022-12-283-4/+47
| | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* add github remote-id when possibleJérôme Carretero2022-11-152-0/+6
| | | | | | | | Semi-automatically done with: https://gitlab.com/cJ/gentoo-bug-881037-github-reproducible-downloads Closes: https://github.com/gentoo/sci/pull/1182 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* */*: virtual/jpeg deprecationAndrew Ammerlaan2022-05-023-3/+3
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/pyquante: drop dead packageAndrew Ammerlaan2022-01-263-49/+0
| | | | | | No upstream activity, not compatible with py3.9 and up Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/erkale: bump to snapshotAndrew Ammerlaan2022-01-252-6/+10
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/module2: drop dead packageAndrew Ammerlaan2022-01-253-59/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/MotionCor2: fix metadataAndrew Ammerlaan2022-01-231-3/+0
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/MotionCor2: remove cuda flagAndrew Ammerlaan2022-01-231-5/+0
| | | | | | note says it has cuda 11 support but I can't test due to fetch restriction Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/relion: drop USE cudaAndrew Ammerlaan2021-12-262-11/+8
| | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/jligand: drop UnusedInheritsAndrew Ammerlaan2021-12-162-2/+2
| | | | | Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/freeon: drop UnusedInheritsAndrew Ammerlaan2021-12-161-1/+1
| | | | | Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/pymol-plugins-psico: drop use minimalAndrew Ammerlaan2021-08-311-12/+1
| | | | | | | dep sci-chemistry/dssp::gentoo is being last-rited Package-Manager: Portage-3.0.22, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/gamess: pax_kernel --> pax-kernelAndrew Ammerlaan2021-08-312-5/+5
| | | | | | | since the flag has been renamed in ::gentoo as well Package-Manager: Portage-3.0.22, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/talosn: remove last-rited packAndrew Ammerlaan2021-08-313-77/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/MotionCor2: fix cuda flagAndrew Ammerlaan2021-06-011-1/+1
| | | | | Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/MotionCor2: drop support for cuda 9.2Andrew Ammerlaan2021-06-012-9/+2
| | | | | Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org>
* sci-chemistry/pymol-plugins-psico: inherit optfeatureAndrew Ammerlaan2021-05-081-1/+1
| | | | | Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/ctffind: fix use of wxwidgets eclassAndrew Ammerlaan2021-05-031-1/+7
| | | | | Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/hydronmr: remove masked packageAndrew Ammerlaan2021-03-193-73/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/nmrview: fix MisplacedVariableAndrew Ammerlaan2021-03-191-2/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/module2: fix MisplacedVariableAndrew Ammerlaan2021-03-191-1/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/gamess: fix MisplacedVariableAndrew Ammerlaan2021-03-191-3/+2
| | | | | Package-Manager: Portage-3.0.17, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/ligplot+: fix MisplacedVariableAndrew Ammerlaan2021-03-191-1/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/MotionCor2: fix MisplacedVariableAndrew Ammerlaan2021-03-191-2/+2
| | | | | Package-Manager: Portage-3.0.17, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/concoord: EAPI bumpAndrew Ammerlaan2021-03-052-12/+10
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/dl_poly: EAPI bump, fix fetch, fix buildAndrew Ammerlaan2021-03-054-46/+27
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/drawxtl: EAPI bumpAndrew Ammerlaan2021-03-052-14/+16
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/gamess: EAPI bumpAndrew Ammerlaan2021-03-051-5/+4
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/ligplot+: EAPI bumpAndrew Ammerlaan2021-03-051-3/+3
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/mage: EAPI bumpAndrew Ammerlaan2021-03-051-6/+6
| | | | | | | this is missing -lXp, which package provides it? Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/mics: EAPI bumpAndrew Ammerlaan2021-03-051-2/+3
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sch-chemistry/nmrview: EAPI bumpAndrew Ammerlaan2021-03-051-2/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/pales-bin: EAPI bumpAndrew Ammerlaan2021-03-051-3/+2
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/rosetta-tools: EAPI bumpAndrew Ammerlaan2021-03-051-3/+2
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>