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* 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>
* sci-chemistry/ssp: EAPI bumpAndrew Ammerlaan2021-03-051-5/+5
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/drawxtl: remove RedundantLongDescriptionAndrew Ammerlaan2021-03-041-4/+0
| | | | | Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/modeller: remove duplicate, exact same version is in ::gentooAndrew Ammerlaan2021-02-175-862/+0
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/ligplot+: use httpsAndrew Ammerlaan2021-02-051-1/+1
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/mics: use httpsAndrew Ammerlaan2021-02-051-3/+3
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/nmrview: update homepageAndrew Ammerlaan2021-02-051-2/+2
| | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/unio: remove pack, cannot fetchAndrew Ammerlaan2021-02-043-77/+0
| | | | | | HOMEPAGE gone, so cannot fetch SRC_URI of fetch RESTRICTed pack Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/panav: add keywordAndrew Ammerlaan2021-02-041-1/+1
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/jligand: EAPI bump, add keywordsAndrew Ammerlaan2021-02-041-8/+7
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/chimera-bin: remove dep on pythonAndrew Ammerlaan2021-02-012-12/+2
| | | | | | | | the documentation says that python2.7 comes bundled with the binaries Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/mddnmr: drop pack, py2 onlyAndrew Ammerlaan2021-02-013-75/+0
| | | | | | the manual says this only works with python2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/nmrpipe: remove non-existent blockersAndrew Ammerlaan2021-01-301-2/+0
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/freeon: rem. longdiscription closely matches descriptionAndrew Ammerlaan2021-01-301-3/+0
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/chimera-bin: add missing REQUIRED_USE="${PYTHON_REQUIRED_USE}"Andrew Ammerlaan2021-01-292-0/+4
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/chimera-bin: use python-r1 instead of python-any-r1Andrew Ammerlaan2021-01-292-2/+2
| | | | | | | | the python dep is runtime and not build time, so -any* is not the correct eclass here Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/chimera-bin: remove oldAndrew Ammerlaan2021-01-292-92/+0
| | | | | Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>
* sci-chemistry/chimera-bin: add version 1.15Andrew Ammerlaan2021-01-293-7/+115
| | | | | | | | | also fix the symlink to freetype and add dependency on python2_7 Closes: https://github.com/gentoo/sci/issues/1046 Closes: https://github.com/gentoo/sci/issues/1045 Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Andrew Ammerlaan <andrewammerlaan@riseup.net>