summaryrefslogtreecommitdiff
path: root/sci-chemistry
diff options
context:
space:
mode:
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/Manifest.gzbin15360 -> 15034 bytes
-rw-r--r--sci-chemistry/apbs/Manifest2
-rw-r--r--sci-chemistry/apbs/apbs-1.4.1-r2.ebuild4
-rw-r--r--sci-chemistry/bodr/Manifest4
-rw-r--r--sci-chemistry/bodr/bodr-10.ebuild4
-rw-r--r--sci-chemistry/bodr/bodr-9-r1.ebuild4
-rw-r--r--sci-chemistry/chemical-mime-data/Manifest4
-rw-r--r--sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r3.ebuild8
-rw-r--r--sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuild5
-rw-r--r--sci-chemistry/easychem/Manifest2
-rw-r--r--sci-chemistry/easychem/easychem-0.6-r1.ebuild4
-rw-r--r--sci-chemistry/elem/Manifest2
-rw-r--r--sci-chemistry/elem/elem-1.0.3-r2.ebuild6
-rw-r--r--sci-chemistry/gabedit/Manifest8
-rw-r--r--sci-chemistry/gabedit/files/CONFIG.Gentoo14
-rw-r--r--sci-chemistry/gabedit/gabedit-2.4.6.ebuild67
-rw-r--r--sci-chemistry/gabedit/gabedit-2.4.7.ebuild67
-rw-r--r--sci-chemistry/gabedit/gabedit-2.4.8.ebuild67
-rw-r--r--sci-chemistry/gabedit/metadata.xml11
-rw-r--r--sci-chemistry/ghemical/Manifest5
-rw-r--r--sci-chemistry/ghemical/files/2.99.2-docs.patch22
-rw-r--r--sci-chemistry/ghemical/files/3.0.0-fix-gcc9.patch37
-rw-r--r--sci-chemistry/ghemical/ghemical-3.0.0.ebuild56
-rw-r--r--sci-chemistry/ghemical/metadata.xml20
-rw-r--r--sci-chemistry/gromacs/Manifest3
-rw-r--r--sci-chemistry/gromacs/gromacs-2019.6.ebuild316
-rw-r--r--sci-chemistry/modeller/Manifest4
-rw-r--r--sci-chemistry/modeller/modeller-9.20.ebuild8
-rw-r--r--sci-chemistry/modeller/modeller-9.22.ebuild8
-rw-r--r--sci-chemistry/pymol-plugins-emovie/Manifest2
-rw-r--r--sci-chemistry/pymol-plugins-emovie/pymol-plugins-emovie-1.0.4.ebuild4
-rw-r--r--sci-chemistry/pymol-plugins-promol/Manifest2
-rw-r--r--sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild4
-rw-r--r--sci-chemistry/rasmol/Manifest2
-rw-r--r--sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild4
-rw-r--r--sci-chemistry/theseus/Manifest4
-rw-r--r--sci-chemistry/theseus/theseus-3.0.0.ebuild4
-rw-r--r--sci-chemistry/theseus/theseus-3.3.0.ebuild4
38 files changed, 366 insertions, 426 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz
index e96185e50b2c..c2c2183fe140 100644
--- a/sci-chemistry/Manifest.gz
+++ b/sci-chemistry/Manifest.gz
Binary files differ
diff --git a/sci-chemistry/apbs/Manifest b/sci-chemistry/apbs/Manifest
index a89d41a10537..f00e4eaa7c6d 100644
--- a/sci-chemistry/apbs/Manifest
+++ b/sci-chemistry/apbs/Manifest
@@ -2,5 +2,5 @@ AUX apbs-1.4.1-manip.patch 1462 BLAKE2B f4559008a1fc4dc367bc770ed29b7fa9ae9489ab
AUX apbs-1.4.1-multilib.patch 3301 BLAKE2B 4268a21ec878d780c7a1efe433bf2c82ef2e72f49a6071b6df695bf672ee999be9c29fed06e949b80cc230333d8deca1094c946662ec657d31e3b6f86e873969 SHA512 cdd72fd23a57ee8413f72bf674ae246543b1c9f326727ff07c3b8848d59f98ab7d2daf28677460cb4726f919832079c1d280bcdc86a8bef5c0875583c789b7c0
AUX apbs-1.4.1-python.patch 3979 BLAKE2B b21633655df329f5d445c4e53140367b0a8a6cfbfafccba8943206ed9bae46839bae532e3efd19d75e89bc70a1fa59d05f3ed977b1a59f949649d3e89b887a96 SHA512 a38ca3bbf692f42268d192aff61949ece95d9b043ac10b4eec33e383773beec1c60425a12e84843a602e828528f6cf0ed6b8c90e99aeea679c5abc8c093c68ae
DIST apbs-1.4.1.zip 37999283 BLAKE2B 2301deb7ab4eb2f20098cf63df180bb53189e42a89cd5559357cdcf08e84d27a44eafe8557bb460574802d24d29741ad4606dc3bd7f32911d0d0f2c7453d6470 SHA512 3a127af3940054e5a43b3c0c620507f4f9baa69049e5a0933d8e8825458ad2faba840392752de49fe68d91e2054fb1394cf87bb5bb1c0b48305368e2f404cf6a
-EBUILD apbs-1.4.1-r2.ebuild 3032 BLAKE2B 7e8c4f17445e54a201d1d9279f80feee228f20d4d33a4596dfeee15f0ce066904c34c978db13a453e7e5589c356b26cfab2aa0bc80f38fa56dda8a8f7f025295 SHA512 ab8592cdf95689aecbadfee6f3ebd0b121f04e9e95dd5307f2d353c6e80609328a633417fe47d4a2f9e2572a965268354d99cf0aba5641aa6d42443d1d27f765
+EBUILD apbs-1.4.1-r2.ebuild 3033 BLAKE2B c5373211c86c086bd7fd1898ba2437496c4a9fb8971a7847625b5a5a438ae21b10a2c733d323c692b5a6f1a8c94c78b4630a326c7af84bb90b3200f8970a197c SHA512 7fba09a563be088193ab58b57c5f45288497f222058ab2189decc755f6a761ec15ceacf5fe5a8619224c75603e80db86d427c77f37ec4edb163f6d75d63747ef
MISC metadata.xml 1048 BLAKE2B 53a61bd7e05e53b294f0cbd1a21b86f391429ad5f23a545e7cbb27625b152589247a08db06c5d7f6658425de032be970fae0230ad1ac14ac4f6de42663d6c97c SHA512 7d68049cb9b044676430fe879890cc4cd869b99f85696f579d9cbf3b156081301792fd7f03205a9b9d429d71c9a35b4815f4236573f68d3ef6b4718e6e1f0bb3
diff --git a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild b/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild
index 88910ddde996..4ea1cfcd1fad 100644
--- a/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild
+++ b/sci-chemistry/apbs/apbs-1.4.1-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -96,7 +96,7 @@ src_configure() {
fi
}
-src_compile(){
+src_compile() {
cmake-utils_src_compile
if use python; then
append-ldflags -L"${S}"/lib
diff --git a/sci-chemistry/bodr/Manifest b/sci-chemistry/bodr/Manifest
index 1a169671a107..7e54019fd82e 100644
--- a/sci-chemistry/bodr/Manifest
+++ b/sci-chemistry/bodr/Manifest
@@ -1,5 +1,5 @@
DIST bodr-10.tar.bz2 225671 BLAKE2B cda3d66da530cb28898389080807c4ed8602bb8871ee9e9ff75ba4a7a40ee676308539adb26d61b3361b53f37c099fa784438def9b768828a941c3693c7315a2 SHA512 a3e0e7195914938d8824127aa4777c4054c302ef7811d82d1e012d9be5d7a13d7f2225d4216f4a30ae7dbf70eb3b0b38571c3ee0dbe1d97af15f04171dd51bec
DIST bodr-9.tar.bz2 210548 BLAKE2B 91efe4e216c0b07378e69739925fe603a091cc29551b85461dc146d8ba5d855bd33f1432cb159a52f2520cbda8c5228b93c90a23497ca6262f705852fc886c92 SHA512 5bcdd682729e11a0bc48f9306262e03fa2a3ca3a805633c2b40d7f94608ce6e2e778cc89ed0c57ec3bf6105c2f759204e158ac6f29c9e6ee3aa37190f8f0d772
-EBUILD bodr-10.ebuild 587 BLAKE2B 173585c166b3b6f6079e21620791d889a8e2e103099aa9308e735057c26d1e7896cd522f3011b24095beafd2d0bfe86ef121af4a778128678a1a68407bc24011 SHA512 076d180852dc5f1e312bb817de7f5642410b6d9006f0fc578ba714c43fefee38abe4810ad9ae536b19ac6637dd4acf64c1fc4b4faf606032d8b13181a453718a
-EBUILD bodr-9-r1.ebuild 587 BLAKE2B 173585c166b3b6f6079e21620791d889a8e2e103099aa9308e735057c26d1e7896cd522f3011b24095beafd2d0bfe86ef121af4a778128678a1a68407bc24011 SHA512 076d180852dc5f1e312bb817de7f5642410b6d9006f0fc578ba714c43fefee38abe4810ad9ae536b19ac6637dd4acf64c1fc4b4faf606032d8b13181a453718a
+EBUILD bodr-10.ebuild 585 BLAKE2B 645d4a136eebe975101b4b4b87e19db89157f62983c146d5891bb803205d175b96734962236192da71cbcaeb54ee5338b38b26d068519c28db9f39acb06882f2 SHA512 8faf4644cc5ec6afbca8fec153262db33a0e9804cc711d48a4a2a5ca48ff08d6dc74ffd7aacc7ca7a9006b1093d6522bd3988e25f8b8cdb3cdff9a42a1b0e508
+EBUILD bodr-9-r1.ebuild 585 BLAKE2B 645d4a136eebe975101b4b4b87e19db89157f62983c146d5891bb803205d175b96734962236192da71cbcaeb54ee5338b38b26d068519c28db9f39acb06882f2 SHA512 8faf4644cc5ec6afbca8fec153262db33a0e9804cc711d48a4a2a5ca48ff08d6dc74ffd7aacc7ca7a9006b1093d6522bd3988e25f8b8cdb3cdff9a42a1b0e508
MISC metadata.xml 691 BLAKE2B 1cb2f68315ca1fc3ee1576ea5f13ffbac8ac3552090eac4ed36b85a7411e5d456da29f38627b1c36552d37e9a260a36ae62bd314b3b735c505931f2f9302c899 SHA512 40092a5f0956a1fb3ab8fcad065fbb3d3549d97c5687acf26fe68f07754ff4909b7c6bc84dcb2e097ab5637fecd11f7057026967fd86b4302a5a6f718cea3e1c
diff --git a/sci-chemistry/bodr/bodr-10.ebuild b/sci-chemistry/bodr/bodr-10.ebuild
index 1d5763a1ba8a..4a8ecabc18c3 100644
--- a/sci-chemistry/bodr/bodr-10.ebuild
+++ b/sci-chemistry/bodr/bodr-10.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -17,7 +17,7 @@ RDEPEND=""
DOCS=( "THANKS" "AUTHORS" "README" "ChangeLog" )
-src_prepare(){
+src_prepare() {
sed -i -e "s/COPYING//g" Makefile.* || die
}
diff --git a/sci-chemistry/bodr/bodr-9-r1.ebuild b/sci-chemistry/bodr/bodr-9-r1.ebuild
index 1d5763a1ba8a..4a8ecabc18c3 100644
--- a/sci-chemistry/bodr/bodr-9-r1.ebuild
+++ b/sci-chemistry/bodr/bodr-9-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -17,7 +17,7 @@ RDEPEND=""
DOCS=( "THANKS" "AUTHORS" "README" "ChangeLog" )
-src_prepare(){
+src_prepare() {
sed -i -e "s/COPYING//g" Makefile.* || die
}
diff --git a/sci-chemistry/chemical-mime-data/Manifest b/sci-chemistry/chemical-mime-data/Manifest
index 1ea5baf98461..1a972a59a0fa 100644
--- a/sci-chemistry/chemical-mime-data/Manifest
+++ b/sci-chemistry/chemical-mime-data/Manifest
@@ -4,6 +4,6 @@ AUX chemical-mime-data-0.1.94-pigz.patch 481 BLAKE2B dee47e41645b5d196326fb7439e
AUX chemical-mime-data-0.1.94-rsvg-convert.patch 1039 BLAKE2B 2eff2aa39206181f56bc802c30b4b043a0aeccef55c5d4e34755dcca69cc3afadd6cac364307729d8d83c88b7ba1d91d7200a80c7bd577e22c6ec5aec3b1921d SHA512 9c12f96f16e7982a5ba11fc546293a2e74f8918ef6eb274e3b1a618fc28aff244402c9b28ffebc2e01c8f6eb0e9e2516da82852bd0f9142c10e97f027670e60d
AUX chemical-mime-data-0.1.94-turbomole.patch 2451 BLAKE2B 86b4b08b2af4503e0f8a525ebaa4231a3d0d3727c951b9e957c9fdac790bc41b7f01092350099a64cce66dbb61bc4cbd3654ef91834310c6c7cd1dc156ca87e8 SHA512 1bfa8818d159f0f917a24a06b0bfe926f0854f4242d8c2dbbedcd4210ffd38a459298862dc1d1aedbbe648a933db99c5d647c5409af74f88b03dd3033946df54
DIST chemical-mime-data-0.1.94.tar.bz2 146077 BLAKE2B 9996c240446dc9571b6b4afbcdc6cf16a08e11314da9f785490b1b20933b6d18a333132492e30315c08f4441c048ec593a111815253050cfb5ab562aadb784f1 SHA512 7f3d967149f27ab1de53c948dc055959e661e1be9d778e3d56d06bea95769da7770ab5fb66afab6607747ef91ffb1dbbcf921e5f06e3303351781968594b5f00
-EBUILD chemical-mime-data-0.1.94-r3.ebuild 1007 BLAKE2B 20203fada235e55c4614a8f5f80271adb91ecb8e21e553aeaf3ef2d0bb9f94b78ae7f4905db9698f2d4a0971cc309eb863277261dae0cb4fc19d60cc6a8037c4 SHA512 421ee83448926cc336065c22f270d2c8d4f7fdd0517b684ecd4faa002b16bad0113d9de3fb88a548a7e35e028d3572932a7fc8907d516d3878cc4cafb1474131
-EBUILD chemical-mime-data-0.1.94-r4.ebuild 1132 BLAKE2B aade2545fbe6e9c255ed7d1f3da543bb05456355d56acbded2f599e10f24117daba19cb9d51090e8dbb79090a722d39a0c8c2573672beea1c8373557c715e781 SHA512 8b5e5fcd3a83b046341b2afeabc397c8416f97f7bb47edd6b4b5270540377dd46c01ac1cc342d6ed2f6994bb063bccbb29c0fcda7cb82212a188cd135ad72dba
+EBUILD chemical-mime-data-0.1.94-r3.ebuild 924 BLAKE2B 16f1360fe9d074a4eb52d40e3951ec334780664e8fef794362ce1d48e582ac1b70fa1a150be610a4f41bba2fe606336f5b6221aafe1f40296467c2d14d48e3d1 SHA512 c90b05d4fecc6649b1449f42d1cb520867c3ec2991e87b00a83d1fa32001d4971b8c2f44834c17b2cd9fa63783d514f1d1dc4e2efa2a9c5973f97523065d7893
+EBUILD chemical-mime-data-0.1.94-r4.ebuild 1091 BLAKE2B d48e62af64089a866ffc7fa07d7165a934039e4289fffb914b2dd351397ffaa7a7ca97950ce398bb20b7786b844863d4d0709ac428e2cd6f5aa8e589b9dbcd21 SHA512 f0bd3338089a3897ac41903411314fc3df2200a1c057e5cc7bba10ec4f70bd631c607f23ce4db0d29ae99555e687d3b3eb1821287f2800e895d1892daed37014
MISC metadata.xml 474 BLAKE2B c4d6ffbdf66f856fc9e404202d9a9956d8bbfaeb31eb1eb056300ca5049c02d0499ead32a2013080e397eba272bd3a290b81f343baab1fb40204364bfa5208ec SHA512 59cfe759a75bf49fb020652168434fb610c2d5ba56507945253f556b5542a119bc9c9dc4f2b71ceed93f6672b31e5713cc9d76c433e95b0a08c51e9e577bac00
diff --git a/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r3.ebuild b/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r3.ebuild
index a25326ccb709..7989cf9ef6dc 100644
--- a/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r3.ebuild
+++ b/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r3.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -41,9 +41,5 @@ src_prepare() {
}
src_configure() {
- local myeconfargs=(
- --disable-update-database
- --htmldir=/usr/share/doc/${PF}/html
- )
- econf ${myeconfargs[@]}
+ econf --disable-update-database
}
diff --git a/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuild b/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuild
index ad703d678720..3abec36ba7d1 100644
--- a/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuild
+++ b/sci-chemistry/chemical-mime-data/chemical-mime-data-0.1.94-r4.ebuild
@@ -10,7 +10,7 @@ SRC_URI="mirror://sourceforge/${PN/-data/}/${P}.tar.bz2"
LICENSE="LGPL-2.1"
SLOT="0"
-KEYWORDS="~amd64 ~arm ~arm64 ~x86"
+KEYWORDS="amd64 ~arm ~arm64 ~x86"
IUSE=""
RDEPEND="
@@ -48,6 +48,5 @@ src_configure() {
--disable-update-database \
--without-gnome-mime \
--without-pixmaps \
- --without-kde-mime \
- --htmldir=/usr/share/doc/${PF}/html
+ --without-kde-mime
}
diff --git a/sci-chemistry/easychem/Manifest b/sci-chemistry/easychem/Manifest
index e330c56bcce3..c5c420dd34f7 100644
--- a/sci-chemistry/easychem/Manifest
+++ b/sci-chemistry/easychem/Manifest
@@ -1,4 +1,4 @@
AUX 0.6-gentoo.patch 1770 BLAKE2B c355edd4187e4fc4928cc520b4a58a5aaea314342dd66e9448e4bddf2989d233611eb41ebe6576f745725d67c32bdc1faa76432d8c0d15c45cc19bea42d4c575 SHA512 bf641ed0d0f01d895de9ff5892c475bda14b7d14d44898e02126d3f56bfdad59f425b722031e5e983f7b9633308d6463653422fa16323e06cf22cd3f9b88f261
DIST easychem-0.6.tar.gz 265458 BLAKE2B 673100e6d01653ea16a70a8384dc8c598c8e113e241851b19882b333c95e6118fc180a1123e770c021245417640310a05a9026e55a57ae589bde59cf9e5b4766 SHA512 83f877d1813287592a460f4dc3769feda88e45d8f77cd728c4055b60521babe253b4432033941ff429c753cfe675a642714052a01736534147398d6972e47051
-EBUILD easychem-0.6-r1.ebuild 811 BLAKE2B baf0a33eb1ac2086ca3b4d5518ae501f12ba6f6a19e51be540db74f32b9116aef057fd17a536aa1f2068acdf0edf8d3515e1ec51b19d4bdc6f98da33e5bfab57 SHA512 3321fd6357d06960f0d5dd1cdf96cb2db39d362785a1be8dd2571df9a53f1b30fa469d301c6730d7447f35b51fc82069f801af826e20b0eda1c14b113eac8667
+EBUILD easychem-0.6-r1.ebuild 807 BLAKE2B 9ae7df3170e694a26e24bf2566e528b0684ffed71efd66a05e1e702792c2afa37413fe4b23eb4b4e6cb65f51b088dc9ba7c29cca6a2f0c50bc590f0592c14e9d SHA512 d725ece334db0466722012c5d045cd8a09cd60dbe8e79a17b855b443cbbe216d8792002afc344bcfffa7bbc068e9ac0e2030e99c8a607eaf8d3912f4a21e5c86
MISC metadata.xml 758 BLAKE2B e03f2d584016eb1bf52a93b6bbcf0d77734e50ee7e1ab4fb15cfd15032bb28437d994698e9f221dec7dbe88ca7f3234734ec5819ffce8e103a03ca639984ee8e SHA512 e07eda8ec2fd7a721628cf0ccc1a50876f6cd8aff0a27903366ca03587d8c9dbb5cd830da9dfcfe2aa5d6b64eb577b36f3b5173b5fa6e39b19c6e97d8764a825
diff --git a/sci-chemistry/easychem/easychem-0.6-r1.ebuild b/sci-chemistry/easychem/easychem-0.6-r1.ebuild
index 650c236dfeaf..f299712514b9 100644
--- a/sci-chemistry/easychem/easychem-0.6-r1.ebuild
+++ b/sci-chemistry/easychem/easychem-0.6-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2014 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -33,7 +33,7 @@ src_compile() {
C_FLAGS="${CFLAGS}" emake -e
}
-src_install () {
+src_install() {
dobin easychem
dodoc TODO
}
diff --git a/sci-chemistry/elem/Manifest b/sci-chemistry/elem/Manifest
index db952304a6d8..eb14680d00f4 100644
--- a/sci-chemistry/elem/Manifest
+++ b/sci-chemistry/elem/Manifest
@@ -1,5 +1,5 @@
AUX elem-1.0.3-fix-build-system.patch 2544 BLAKE2B 174bfc3e2036a17d918534d02b51def6d933e8799c15cc3e6b75a8580155be614b5691b3241e1fcf88ea7e8124c3e65d73101d862c21f7603a9a8b794d640e6a SHA512 2d691f1d0fdc0a786a45706b68243fab17706328e0417cf805f657576c462315551719a7168ad8e58e651c695a0d53da3f776f479dc540b6b01af899e1b97208
AUX elem-1.0.3-missing-stdlib.patch 133 BLAKE2B 2ab00632e93401db578910b4e44e8f0ad4e899fb3afce5b9d1b6612ba181fd0fc3922c8cc229404164bdef562850337f006cce4047e52b2e459954419bc05529 SHA512 769c5e19928ed64b5595cd37f16d4df893889c3c0ea7e6673e182646bcaca89a6e46e7c6611c586c9213a417c439de043c0beb84a9543e478f78e4d9843a1c3e
DIST elem-src-1.0.3-Linux.tgz 58364 BLAKE2B bdedb844ca62f928fdae5b01b13b88e5f43f5e37f40b47f7b8b9b1a2cb11053b9aefa7b1b4bb78a8632f3329f37afeadfc34eddee1b9f7cd109bee89aa9cdf32 SHA512 24b163c5cc3019c1beb677ce7b432b21289352f7cdbad686ab9161c628d3aadbb90d8abf9bef49f1c7d077b706bbd4ea6b381f356cc85adf907f3c15a4f4893c
-EBUILD elem-1.0.3-r2.ebuild 665 BLAKE2B 865ddeecb1c7c9be1d3467d320454bf057359d84cd8cf4566c475d605d9355c83a34c452e5cac1505c362521ea7c720a60d1b9b7aeea25f6f58b43dc29b3f3e1 SHA512 e00037731116bab8060dddf9d461f607299b564e201053101afe2129bfb69d9080831801eb391a21f03365f6ad65b2e2216ea2c0b4597d94c7923862b272b8c3
+EBUILD elem-1.0.3-r2.ebuild 660 BLAKE2B add5eb74f17cd4a45283ef9f7012509d7b4e9ad3052249dd7035f6c7089b30baf55d558fa3e07066ddbb9cfba16fb262888ddfeca3e48ad94ae8a09c25b474ff SHA512 4694f0365e306d5ad9353f7b5436cb28ca2065c87734cb2ef5055af8fa153a4db2c085a7132f33fac8cf0addb877669fa2ad47b23f0c84ac42bb0e0d9e506484
MISC metadata.xml 339 BLAKE2B 73c4ef3e56cdf6f1061537c5c3a3932b7c38af40ec483cb4f12c21722a65dbeb0ce2dc162911a96a8f4147150a232eb398e2a4fecf7bde60ba2738994dc7a534 SHA512 daecddff7728e2a0b00d5e16bb4fc1c88bd316783f8921705dc76b41f427a8918ead92e663fa202ff57508242daa454cae2c04057c8bf9cf767b95d59e43c177
diff --git a/sci-chemistry/elem/elem-1.0.3-r2.ebuild b/sci-chemistry/elem/elem-1.0.3-r2.ebuild
index daade3396d36..67290b4c6d85 100644
--- a/sci-chemistry/elem/elem-1.0.3-r2.ebuild
+++ b/sci-chemistry/elem/elem-1.0.3-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -26,11 +26,11 @@ src_configure() {
tc-export CC
}
-src_compile () {
+src_compile() {
emake all
}
-src_install () {
+src_install() {
dobin elem elem-de elem-en
rm -rf doc/CVS || die
diff --git a/sci-chemistry/gabedit/Manifest b/sci-chemistry/gabedit/Manifest
deleted file mode 100644
index 6fec52ebe132..000000000000
--- a/sci-chemistry/gabedit/Manifest
+++ /dev/null
@@ -1,8 +0,0 @@
-AUX CONFIG.Gentoo 349 BLAKE2B 181ce2fd202b9f7c173957b381910e93d545700a4f48752de32f0494f96bd61c36c8cd74335e3e62a31e93e3386f4b0727286c04ef7a556b84a27d1f18f6154c SHA512 bb028864b3810183add9d26607ae2fb59cc391de9254e5a3593dc1db0efa609a4a02309336816fa9111489b6463a9f448b7dd3040afc40c3eb3bda4a6b095eb7
-DIST GabeditSrc246.tar.gz 1964406 BLAKE2B 1d8bfef73b29f4a28883c3b2bc978531e7c3801594d7babb93136e995d621c89a2f63dcde30bf8d7d27c26a3251f1375591ff744c119d7723e80b9abe4d6d75e SHA512 fbd92ff532ce21e97dcc2d012927fb0d19f4634956e88122a8e9a41e9484592ede455c3a88670cbd1c6387a4d0916425f897d2ade1957ebf4b25b89c7365a076
-DIST GabeditSrc247.tar.gz 1990187 BLAKE2B e287bc31fe2ee9328df1c1cfd11b77a0f6de09152b63f01d5b7fd75cd75fdac4944fe67abfabf354129992af8277734a675f541b17485702caa33d563c97d030 SHA512 a562dd650f9dc90a3c28a6d6b45212dc1d945548c9021f84e25a96022e67f95309030ded30bc20c052526783d0613f328830c640955822237828fcbac6d91b95
-DIST GabeditSrc248.tar.gz 1992373 BLAKE2B 79ef2f7711282a6c571770e8e5f4a70ebc72b0e310f72434fa34759e16fc9ff375466ed1590615132adfccee0d80c710efebd7df34aaf0192f44610dc7ffba8f SHA512 d06b54693c4887e3cecb6bb20b98307db8aeb7f32ff87b85af536a4034f2d6af04f30809c04e29ed6fb4744e6290dcd276c9f85b2940daa71a595f6bd5f154da
-EBUILD gabedit-2.4.6.ebuild 1347 BLAKE2B f974bb7cedc9ae4a4a6bfcee990a8db13dff0d502a9ea975fdef5b3f52611008831b931ed630c642983cae9503e356152a6215696d7fa8fa95716b925d3b3443 SHA512 e31ac44e026dae879c27bd318f4a7002616588d22cde029af80faf8ece841c13698d6152d6d0ca970089a609a4232a9772737c177af8a453ad251614a98e53b1
-EBUILD gabedit-2.4.7.ebuild 1349 BLAKE2B 478095a11f1a72e4afe4d7d058fd6ded22b271e539065e0b11476591063050ea5ea48d4d94abe6ae8d0f07c9b3bd4d19bb5fb48ad84f95df5cde82070f365898 SHA512 9a481026b8395bf7c2d743b129e03d2e9a21e048becd2da93fa41b35fcb85574334486ab80118a042b7bbe8d818370dcef3e9f6c5eb25933cc7317f82ec97d1c
-EBUILD gabedit-2.4.8.ebuild 1349 BLAKE2B 1a3c5e4868597cf6c9a478449f4e8822935cffc9cb96bab461f4a3f6d0669d0726d9ebfaafd88a90b7a59c0b294c6d40b8ec1273547ba677bd11e2551ad779f1 SHA512 a34c323240c2b8bbdd6dcd64bc65c0f5084a9a18fed42016e6082752bb376f635e6d2477488cb8616c74e760a3956dfd8dab78241df9c24e93720ebbcbd08955
-MISC metadata.xml 352 BLAKE2B aad77445584ae7eb84c0b8e54c49baef47f12f9c4a11d80b47850a60df202d0b26178c51e357484419710c3edcbdb71c235b9906fc64337bc2c8f2a1d8804a0d SHA512 d4d34b084d7aeffa74d5d19e75fda4048af684fdebcf8ee1f336238c40ca514fa1cf35802edcb4c718b310f710353fd8264e3caf78fa6bcf1d9d43f2035fd381
diff --git a/sci-chemistry/gabedit/files/CONFIG.Gentoo b/sci-chemistry/gabedit/files/CONFIG.Gentoo
deleted file mode 100644
index 9cf387c752eb..000000000000
--- a/sci-chemistry/gabedit/files/CONFIG.Gentoo
+++ /dev/null
@@ -1,14 +0,0 @@
-GTKLIB = `pkg-config --libs gtk+-2.0 gtkglext-1.0`
-GTKCFLAGS = `pkg-config --cflags gtk+-2.0 gtkglext-1.0`
-OGLLIB = `pkg-config --libs glu`
-OGLCFLAGS = `pkg-config --cflags glu`
-X11LIB = `pkg-config --libs x11`
-LIBPTHREAD = -lpthread
-RM = rm -f
-MAKE = make
-MKDIR = mkdir -p
-WIN32LIB =
-
-#DRAWGEOMGL=
-DRAWGEOMGL=-DDRAWGEOMGL
-
diff --git a/sci-chemistry/gabedit/gabedit-2.4.6.ebuild b/sci-chemistry/gabedit/gabedit-2.4.6.ebuild
deleted file mode 100644
index 59be69442ad2..000000000000
--- a/sci-chemistry/gabedit/gabedit-2.4.6.ebuild
+++ /dev/null
@@ -1,67 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit eutils toolchain-funcs versionator
-
-MY_PN=${PN/g/G}
-MY_PV=$(delete_all_version_separators)
-MY_P="${MY_PN}Src${MY_PV}"
-
-DESCRIPTION="GUI for computational chemistry packages"
-HOMEPAGE="http://gabedit.sourceforge.net/"
-SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
-
-LICENSE="MIT"
-SLOT="0"
-KEYWORDS="amd64 x86"
-IUSE="openmp"
-
-RDEPEND="
- dev-libs/glib:2
- x11-libs/cairo
- x11-libs/gdk-pixbuf:2
- x11-libs/gtk+:2
- x11-libs/gtkglext
- x11-libs/gl2ps
- x11-libs/pango
- virtual/opengl
- virtual/glu"
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-S=${WORKDIR}/${MY_P}
-
-src_prepare() {
- sed -i "/rmdir tmp/d" "${S}"/Makefile || die
- sed \
- -e "/GTK_DISABLE_DEPRECATED/s:define:undef:g" \
- -i "${S}/Config.h" || die
- sed -e 's:-g::g' -i Makefile || die
- cp "${FILESDIR}"/CONFIG.Gentoo "${S}"/CONFIG
-
- if use openmp && tc-has-openmp; then
- cat <<- EOF >> "${S}/CONFIG"
- OMPLIB=-fopenmp
- OMPCFLAGS=-DENABLE_OMP -fopenmp
- EOF
- fi
- echo "COMMONCFLAGS = ${CFLAGS} -DENABLE_DEPRECATED \$(OMPCFLAGS) \$(DRAWGEOMGL)" >> CONFIG
-
- tc-export CC
-}
-
-src_compile() {
- emake clean
- emake external_gl2ps=1
-}
-
-src_install() {
- local size
- dobin ${PN}
- dodoc ChangeLog
- for size in 16 24 32 48; do
- doicon -s ${size} icons/Gabedit${size}.*
- done
-}
diff --git a/sci-chemistry/gabedit/gabedit-2.4.7.ebuild b/sci-chemistry/gabedit/gabedit-2.4.7.ebuild
deleted file mode 100644
index 755e1928327a..000000000000
--- a/sci-chemistry/gabedit/gabedit-2.4.7.ebuild
+++ /dev/null
@@ -1,67 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit eutils toolchain-funcs versionator
-
-MY_PN=${PN/g/G}
-MY_PV=$(delete_all_version_separators)
-MY_P="${MY_PN}Src${MY_PV}"
-
-DESCRIPTION="GUI for computational chemistry packages"
-HOMEPAGE="http://gabedit.sourceforge.net/"
-SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
-
-LICENSE="MIT"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="openmp"
-
-RDEPEND="
- dev-libs/glib:2
- x11-libs/cairo
- x11-libs/gdk-pixbuf:2
- x11-libs/gtk+:2
- x11-libs/gtkglext
- x11-libs/gl2ps
- x11-libs/pango
- virtual/opengl
- virtual/glu"
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-S=${WORKDIR}/${MY_P}
-
-src_prepare() {
- sed -i "/rmdir tmp/d" "${S}"/Makefile || die
- sed \
- -e "/GTK_DISABLE_DEPRECATED/s:define:undef:g" \
- -i "${S}/Config.h" || die
- sed -e 's:-g::g' -i Makefile || die
- cp "${FILESDIR}"/CONFIG.Gentoo "${S}"/CONFIG
-
- if use openmp && tc-has-openmp; then
- cat <<- EOF >> "${S}/CONFIG"
- OMPLIB=-fopenmp
- OMPCFLAGS=-DENABLE_OMP -fopenmp
- EOF
- fi
- echo "COMMONCFLAGS = ${CFLAGS} -DENABLE_DEPRECATED \$(OMPCFLAGS) \$(DRAWGEOMGL)" >> CONFIG
-
- tc-export CC
-}
-
-src_compile() {
- emake clean
- emake external_gl2ps=1
-}
-
-src_install() {
- local size
- dobin ${PN}
- dodoc ChangeLog
- for size in 16 24 32 48; do
- doicon -s ${size} icons/Gabedit${size}.*
- done
-}
diff --git a/sci-chemistry/gabedit/gabedit-2.4.8.ebuild b/sci-chemistry/gabedit/gabedit-2.4.8.ebuild
deleted file mode 100644
index 54436b2cabba..000000000000
--- a/sci-chemistry/gabedit/gabedit-2.4.8.ebuild
+++ /dev/null
@@ -1,67 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-inherit eutils toolchain-funcs versionator
-
-MY_PN=${PN/g/G}
-MY_PV=$(delete_all_version_separators)
-MY_P="${MY_PN}Src${MY_PV}"
-
-DESCRIPTION="GUI for computational chemistry packages"
-HOMEPAGE="http://gabedit.sourceforge.net/"
-SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tar.gz"
-
-LICENSE="MIT"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="openmp"
-
-RDEPEND="
- dev-libs/glib:2
- x11-libs/cairo
- x11-libs/gdk-pixbuf:2
- x11-libs/gtk+:2
- x11-libs/gtkglext
- x11-libs/gl2ps
- x11-libs/pango
- virtual/opengl
- virtual/glu"
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-S=${WORKDIR}/${MY_P}
-
-src_prepare() {
- sed -i "/rmdir tmp/d" "${S}"/Makefile || die
- sed \
- -e "/GTK_DISABLE_DEPRECATED/s:define:undef:g" \
- -i "${S}/Config.h" || die
- sed -e 's:-g::g' -i Makefile || die
- cp "${FILESDIR}"/CONFIG.Gentoo "${S}"/CONFIG
-
- if use openmp && tc-has-openmp; then
- cat <<- EOF >> "${S}/CONFIG"
- OMPLIB=-fopenmp
- OMPCFLAGS=-DENABLE_OMP -fopenmp
- EOF
- fi
- echo "COMMONCFLAGS = ${CFLAGS} -DENABLE_DEPRECATED \$(OMPCFLAGS) \$(DRAWGEOMGL)" >> CONFIG
-
- tc-export CC
-}
-
-src_compile() {
- emake clean
- emake external_gl2ps=1
-}
-
-src_install() {
- local size
- dobin ${PN}
- dodoc ChangeLog
- for size in 16 24 32 48; do
- doicon -s ${size} icons/Gabedit${size}.*
- done
-}
diff --git a/sci-chemistry/gabedit/metadata.xml b/sci-chemistry/gabedit/metadata.xml
deleted file mode 100644
index 958aa61e8b1c..000000000000
--- a/sci-chemistry/gabedit/metadata.xml
+++ /dev/null
@@ -1,11 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <upstream>
- <remote-id type="sourceforge">gabedit</remote-id>
- </upstream>
-</pkgmetadata>
diff --git a/sci-chemistry/ghemical/Manifest b/sci-chemistry/ghemical/Manifest
deleted file mode 100644
index b551bd472773..000000000000
--- a/sci-chemistry/ghemical/Manifest
+++ /dev/null
@@ -1,5 +0,0 @@
-AUX 2.99.2-docs.patch 785 BLAKE2B c731e7366ad44dde7c8754dc6e450e26436f69f4dda5547c61e73d4aa2da69be66cf46204481b1726a7ca746712f0a35c3e689f9da99d4376bc62097512958ec SHA512 0d8754b31eeec184a0d3becb75d3c69c2e922abbe00c175c8cb23d7ea96838896db2da90de45653a7612a041975975f062d289d7d362f6f1abae1d916dbc4b89
-AUX 3.0.0-fix-gcc9.patch 2020 BLAKE2B 40cb4ff6b6b245178aca446a37d9be8876b136b3b0473e41997f538c79c1f47be7a6a940ab97d4f945b1ec7126c6c15ea02ec4bbe0565fcb1623ceb589a1a51a SHA512 9b4764bf0704f9db587d07495b59402c2db87a5cfef0e3f1182f6428fa0b6e25081126714cd47b42bebe7243b5e78fa5a33cd0b5989a5235d01bc0f27ac281a6
-DIST ghemical-3.0.0.tar.gz 2196716 BLAKE2B 62008667c58cb058beb8eb3946bb96fb03aceff7cc93f64aecc697a7648946936208063b419aca57f740d5760a90d923d81f8cc8d80fb68bdf924b23cd2061b3 SHA512 d4dd0b063a4dea33fa7430e77a2da253c74079fd8b5f21e8c2b5da1383f3689b93305417e1bf0d4908b87c91afb33c3266dd6bd6fbcd768cc98614a3f730ee94
-EBUILD ghemical-3.0.0.ebuild 1304 BLAKE2B 518deae5395eb251fb9710ea31dd69a25cce77a70b495de50c3d8e1c19ab3451e1b17fc66ec4d3526654d80c1e49a8ea44b1a080bb281fddf1b633481d910fcd SHA512 772abfdf8ee8f0bf5de652157ba54953090a553b67c4dbbc246cbe47ad6182dddf89c20d3f67f544fa7b68e0f5938f4e55049db6a6984dfbcbd6b748f83a35b8
-MISC metadata.xml 851 BLAKE2B 119f8bdb334c7e1391c821aa99b59e9433ea1856a79e5216d1d35fa1349b36dff1288a3fb816af9547d451a95d8266889df7e6a79cf73748094fce7876125074 SHA512 bde362ad42f9648cd8e5f32e1c9b9e10159bf9b850a86e80012f067530d6e5912bfc54eb22c170a8eeb0a8ba705db4ecc3c0559b431eaee8ea474d4f9c82de93
diff --git a/sci-chemistry/ghemical/files/2.99.2-docs.patch b/sci-chemistry/ghemical/files/2.99.2-docs.patch
deleted file mode 100644
index 85f31dfd729f..000000000000
--- a/sci-chemistry/ghemical/files/2.99.2-docs.patch
+++ /dev/null
@@ -1,22 +0,0 @@
-diff --git a/docs/user-docs/Makefile.am b/docs/user-docs/Makefile.am
-index 030f67c..dcb207b 100644
---- a/docs/user-docs/Makefile.am
-+++ b/docs/user-docs/Makefile.am
-@@ -1,6 +1,6 @@
- SUBDIRS = images
-
--helpfilesdir = $(datadir)/ghemical/@APPVERSION@/user-docs
-+helpfilesdir = $(datadir)/doc/ghemical-@APPVERSION@/html
- helpfiles_DATA = *.css *.html
-
- EXTRA_DIST = $(helpfiles_DATA)
-diff --git a/docs/user-docs/images/Makefile.am b/docs/user-docs/images/Makefile.am
-index fae0ffd..a569151 100644
---- a/docs/user-docs/images/Makefile.am
-+++ b/docs/user-docs/images/Makefile.am
-@@ -1,4 +1,4 @@
--helpimagesdir = $(datadir)/ghemical/@APPVERSION@/user-docs/images
-+helpimagesdir = $(datadir)/doc/ghemical-@APPVERSION@/html/images
- helpimages_DATA = *.png
-
- EXTRA_DIST = $(helpimages_DATA)
diff --git a/sci-chemistry/ghemical/files/3.0.0-fix-gcc9.patch b/sci-chemistry/ghemical/files/3.0.0-fix-gcc9.patch
deleted file mode 100644
index d3d80bbd00ba..000000000000
--- a/sci-chemistry/ghemical/files/3.0.0-fix-gcc9.patch
+++ /dev/null
@@ -1,37 +0,0 @@
-https://bugs.gentoo.org/687450
-
-project.h:210:14: error: friend declaration of ‘bool ReadGPR_OLD(project&, std::istream&, bool, bool)’ specifies default arguments and isn’t a definition [-fpermissive]
- 210 | friend bool ReadGPR_OLD(project &, istream &, bool, bool = false); ///< this is for the very old version.
- | ^~~~~~~~~~~
-
---- a/src/project.h
-+++ b/src/project.h
-@@ -122,6 +122,12 @@
- graphical user interface.
- */
-
-+class project;
-+bool ReadGPR_OLD(project &, istream &, bool, bool = false);
-+bool ReadGPR_v100(project &, istream &, bool, bool = false);
-+bool ReadGPR_v110(project &, istream &, bool, bool = false);
-+bool ReadGPR(project &, istream &, bool, bool = false);
-+
- class project :
- public custom_transformer_client,
- public model
-@@ -207,11 +213,11 @@
-
- // methods for file I/O : ReadGPR and WriteGPR are friend functions so that it would be easier to "borrow" them elsewhere...
- // ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-- friend bool ReadGPR_OLD(project &, istream &, bool, bool = false); ///< this is for the very old version.
-- friend bool ReadGPR_v100(project &, istream &, bool, bool = false); ///< this is for the version 1.00.
-- friend bool ReadGPR_v110(project &, istream &, bool, bool = false); ///< this is for the version 1.10.
-+ friend bool ReadGPR_OLD(project &, istream &, bool, bool); ///< this is for the very old version.
-+ friend bool ReadGPR_v100(project &, istream &, bool, bool); ///< this is for the version 1.00.
-+ friend bool ReadGPR_v110(project &, istream &, bool, bool); ///< this is for the version 1.10.
- /// This is an input function for the v1.11 ghemical file format.
-- friend bool ReadGPR(project &, istream &, bool, bool = false);
-+ friend bool ReadGPR(project &, istream &, bool, bool);
-
- friend void WriteGPR_v100(project &, ostream &); ///< this is for the version 1.00.
- /// This is an output function for the v1.11 ghemical file format.
diff --git a/sci-chemistry/ghemical/ghemical-3.0.0.ebuild b/sci-chemistry/ghemical/ghemical-3.0.0.ebuild
deleted file mode 100644
index 477c41439c28..000000000000
--- a/sci-chemistry/ghemical/ghemical-3.0.0.ebuild
+++ /dev/null
@@ -1,56 +0,0 @@
-# Copyright 1999-2019 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=7
-
-inherit autotools desktop
-
-DESCRIPTION="Chemical quantum mechanics and molecular mechanics"
-HOMEPAGE="http://bioinformatics.org/ghemical/"
-SRC_URI="http://bioinformatics.org/ghemical/download/current/${P}.tar.gz"
-
-LICENSE="GPL-2"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="openbabel seamonkey threads"
-
-RDEPEND="
- dev-libs/glib:2
- gnome-base/libglade:2.0
- sci-chemistry/mpqc
- >=sci-libs/libghemical-3.0.0:=
- >=x11-libs/liboglappth-1.0.0:=
- virtual/opengl
- x11-libs/pango:0=
- x11-libs/gtk+:2
- x11-libs/gtkglext:0=
- openbabel? ( sci-chemistry/openbabel )"
-DEPEND="${RDEPEND}
- virtual/pkgconfig"
-
-PATCHES=(
- "${FILESDIR}"/2.99.2-docs.patch
- "${FILESDIR}"/3.0.0-fix-gcc9.patch
-)
-
-src_prepare() {
- default
- eautoreconf
-}
-
-src_configure() {
- # With amd64, if you want gamess I recommend adding gamess and gtk-gamess to package.provided for now.
-
- # Change the built-in help browser.
- sed -e "s|mozilla|$(usex seamonkey seamonkey firefox)|g" \
- -i src/gtk_app.cpp || die "sed failed for $(usex seamonkey seamonkey firefox)!"
-
- econf \
- $(use_enable openbabel) \
- $(use_enable threads)
-}
-
-src_install() {
- default
- make_desktop_entry ghemical Ghemical /usr/share/ghemical/${PV}/pixmaps/ghemical.png
-}
diff --git a/sci-chemistry/ghemical/metadata.xml b/sci-chemistry/ghemical/metadata.xml
deleted file mode 100644
index 90f25b17693e..000000000000
--- a/sci-chemistry/ghemical/metadata.xml
+++ /dev/null
@@ -1,20 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
- <longdescription>
-Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models
-and molecular mechanics models (there is an experimental Tripos 5.2-like force
-field for organic molecules). Also a tool for reduced protein models is
-included. Geometry optimization, molecular dynamics and a large set of
-visualization tools are currently available.
-</longdescription>
- <use>
- <flag name="openbabel">Use <pkg>sci-chemistry/openbabel</pkg> for file
- conversions</flag>
- <flag name="seamonkey">Add support for the Seamonkey web-browser</flag>
- </use>
-</pkgmetadata>
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index b3569e237fad..a4dbd284f957 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,13 +1,16 @@
AUX gromacs-2020_beta1-pytest.patch 630 BLAKE2B 1036e06589c24459006f0b579ee89c9d9c4623c7ca32fae90b21646db13280549a23cad717ef7481b03cbf9f2629b6804c0727d4b8c7f3274d0463d2735f976a SHA512 b5880d3a21635892d52b2ac09cbf456194a3db0fa0676bbdd2c2500964da89fbb7f4ebed7ac7843304159bf11f44e279eb505b2af8833127d2e21f10cb254c1e
DIST gromacs-2018.8.tar.gz 29913703 BLAKE2B 8780032305928067fbfe1559efe9eedc4d47e27ab2f6ab54d6dba39edfcbeefbee4673d8910009048a850620b5a08ba8feb622db652c439cfa50a149ec5f0015 SHA512 6717895942f2ab7b54019511ed2aebadadde8e96d3c4b7414bb9168ffe418432d2dee330192e199f7b9d2f665c71f5d4f1ef0911aa7243d525a2ca182ef5b122
DIST gromacs-2019.5.tar.gz 33445791 BLAKE2B 1e2e2764b0c8774c878abf4f32c2fa7ddd9b46f464cf1256deb48335433d92ef1b315f5534cdec9f766ae928a71361b5a4dd4a4def638269eb260ff98dbbe8bb SHA512 fdd177e4dfd29629b72bfbb4d61ff7bcdb37279f534883a9df8fd57569212fe1e9f8b8c9cec347fcc607539f31412d604d11ee3c0eb797251960435962b1bec6
+DIST gromacs-2019.6.tar.gz 33446147 BLAKE2B adc21fb6b841b06d499607f8c0166a673645ef5af0b40bd823d0fff5ea24397e6301c5e1e0070986ae1ce1deba8a42052b66da148b071c1e21f2fe3908fee275 SHA512 7c227a9539e5775d5d128ae9e872a24181d79cdcd2852b86453597987e8d7332ecec371da65d089f6e610c54aafbccc8824ce298743383dd6240719ebee692a8
DIST gromacs-2020.tar.gz 28928068 BLAKE2B 72d4ff8f6b383284e61df9d3b2b53c51300f6961d4c19810670c8ee9ba2f1864d2a325e2774093b9338db785cb91a94461bf93f16cdf4caf0f690298a672d51c SHA512 15f0d58cd8d217eab39ef8e3535dec34127708797eaf6575fb340292cbee2303cd25deb84b3d4417a787076f4ae7be9e4958ec3a347a3aa9aed52ef337a4587c
DIST regressiontests-2018.8.tar.gz 67855469 BLAKE2B 34c9b339f6229f483afbb5192ee6ba8b8f72d5c26907a853af9c53dfece0d88739e48f6b44b78d1c010f988f9385d077285300522164f533a5861e9dda879275 SHA512 3642389d27bd1942cd0f091c940ae97b197b94856a387fe581dc516b0d4169480f16551d4ba357f9282b3337d605c286d51dd38112ac87c826dda634904836bb
DIST regressiontests-2019.5.tar.gz 67643634 BLAKE2B c4d9535d9a8a650869d67544ad5f367324f45e55325bb5074ece9b010f232f2f0dd97c9af97924d3f2368ed63015ca7330baff1cc681310e1439ec330b70ee8d SHA512 7c0917b76e7db35ab4e3271d523d268e0e2d858091e68ead863bfe6d1e56b381e30fdbf44f479f6e065c029e2eb27cfa0dbaa1b243f185144321aaf5084c55ce
+DIST regressiontests-2019.6.tar.gz 67643195 BLAKE2B 1e054e24b187946f7ea28090d4f20cf8e1d79a26253f57ba07d130e0773d8541b8a1552a38023d31a68ce8bc62d8e0af1d98609234bb3e7d3e6d567307ebb386 SHA512 eacf1c55b982515a305c29459fe80a7cd558a8481e5689962aa956148af542568b1d1ce59c6784ecb0afd4768c2b664afa21e12af2d89ae2b06b1ba61ad72036
DIST regressiontests-2020.tar.gz 48536146 BLAKE2B 9511db78b5d6a5ea431fdb73782f28dde4b94655139886c0ad519888ef3e435fe81807f158d66c1a4284cb88fe730f62d039ac23549f17d0ce5984764ef35f10 SHA512 5a35aaf6fe2f3b146c7045e9c967dc1c8bf754748cc1f2a7300193ae3f206a9f5058329380ae7b03b181410303bcd434584571e6161a75f99e52bd48f8ba1821
EBUILD gromacs-2018.8.ebuild 8784 BLAKE2B 8c08b6c4f4278ed6455a0489b765c97c748835e49973bb83b7fe8e15d9453c8c9b6c6e26cd27a2d5a927aa87a36bfdef3874020f6658c9b2dcb774043e4547e3 SHA512 b66644847daa453b9a764faaa7f3145e16f3819d0d7ffdad12c1209a398cd03dbf7c2d60e0510f514b18f6ed8c09dfadb77bca6ff2f1eb044c65632842a7499a
EBUILD gromacs-2018.9999.ebuild 8787 BLAKE2B 9edbb2ae0bd3f76af41cee9971b70fdc957f22bb61ec131abd3cf44a2da56c208b0b103f72754e17cccfa054d79c1e95a9477228b0c14f4476e58bd7656b641a SHA512 c4548c8436dadf1daaf7f4f41e3c957029a10f5eb7fd11c5c8f42046d2ba38c6baf9f47e69fb8e8eeef550e0463d76bf738d6f708ffce6b4cf556e29d725ed5a
EBUILD gromacs-2019.5-r1.ebuild 9270 BLAKE2B 7bc19e1950bb824a0d30b6340ea181f0089f44237e324ec926698aaacfddfc33cc6a59644bf63ce56498f6fed80c3720e143f65fbd27f3b1e4fbbd021d08573d SHA512 651a096ed78b067b5d27591d64d552c2b31b759237375a278865afcb9123986a3e5c3785d46d54b71facf54b5d62ec76610eda0f7df6aed583c3b1e6b0a940e7
+EBUILD gromacs-2019.6.ebuild 9273 BLAKE2B f60f3d2c19fcbb406cee16e3ca0743eb72fffcfe7d0565ec69299c4315f72786197d83ae88b32b7f51312e82453555df3a82ea6d28f7ea40ab9f4628e66d62bb SHA512 5d5fb26afbd6c17ecf39685706337fe893171048bd745c4b6b2a6cf5d62a25c6b48f5b0ebff00b7d3a00d6731b0ef56701ed5236ac7ac1abf1d431a426638be5
EBUILD gromacs-2019.9999.ebuild 9272 BLAKE2B 6d6484a75d2f6ec9d97a33766ff42f0a3b364f8d71f9d8c0af8265e1dffd9eee93dce6a4e7edf93fe316abef0dd8ec1ee0beb9b7cfa04f0ffbe8aa15cefb6c04 SHA512 c0e81e4312accad7377e9e221b636c1870fdf85928ca221c8272b7af6d2d422c2c44b4e6e3cca9818b922e7f194f1e45208e545d5a65e77d57aa29df1d0474dc
EBUILD gromacs-2020-r1.ebuild 9831 BLAKE2B 0d20f9e04a318eb2313d1b84adb9a747f4b70cc57446031da410e05bc37d2e3b53489110b803b69bcb235ea87dd913e9a7de6531c2e32b6afb9505c44a4d2dbe SHA512 c2edca500cd77e9b88f6b83cb4b3f11819adf313e4b68250d8b446466187e963bdd925665ca3aa532ae2c88b611f15b860f722cdf17c2b145d7cd58a56cb2c17
EBUILD gromacs-2020.9999.ebuild 9831 BLAKE2B 0d20f9e04a318eb2313d1b84adb9a747f4b70cc57446031da410e05bc37d2e3b53489110b803b69bcb235ea87dd913e9a7de6531c2e32b6afb9505c44a4d2dbe SHA512 c2edca500cd77e9b88f6b83cb4b3f11819adf313e4b68250d8b446466187e963bdd925665ca3aa532ae2c88b611f15b860f722cdf17c2b145d7cd58a56cb2c17
diff --git a/sci-chemistry/gromacs/gromacs-2019.6.ebuild b/sci-chemistry/gromacs/gromacs-2019.6.ebuild
new file mode 100644
index 000000000000..755bafef447a
--- /dev/null
+++ b/sci-chemistry/gromacs/gromacs-2019.6.ebuild
@@ -0,0 +1,316 @@
+# Copyright 1999-2020 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+
+CMAKE_MAKEFILE_GENERATOR="ninja"
+
+PYTHON_COMPAT=( python2_7 )
+
+inherit bash-completion-r1 cmake-utils cuda eutils multilib python-single-r1 readme.gentoo-r1 toolchain-funcs xdg-utils
+
+if [[ $PV = *9999* ]]; then
+ EGIT_REPO_URI="git://git.gromacs.org/gromacs.git
+ https://gerrit.gromacs.org/gromacs.git
+ https://github.com/gromacs/gromacs.git
+ https://repo.or.cz/r/gromacs.git"
+ [[ $PV = 9999 ]] && EGIT_BRANCH="master" || EGIT_BRANCH="release-${PV:0:4}"
+ inherit git-r3
+else
+ SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${PN}-${PV/_/-}.tar.gz
+ test? ( http://gerrit.gromacs.org/download/regressiontests-${PV/_/-}.tar.gz )"
+ KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos ~x86-macos"
+fi
+
+ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2"
+
+DESCRIPTION="The ultimate molecular dynamics simulation package"
+HOMEPAGE="http://www.gromacs.org/"
+
+# see COPYING for details
+# https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING
+# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib
+LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )"
+SLOT="0/${PV}"
+IUSE="X blas cuda +doc -double-precision +fftw +gmxapi +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +single-precision test +threads +tng ${ACCE_IUSE}"
+
+CDEPEND="
+ X? (
+ x11-libs/libX11
+ x11-libs/libSM
+ x11-libs/libICE
+ )
+ blas? ( virtual/blas )
+ cuda? ( >=dev-util/nvidia-cuda-toolkit-6.5.14 )
+ opencl? ( virtual/opencl )
+ fftw? ( sci-libs/fftw:3.0 )
+ hwloc? ( sys-apps/hwloc )
+ lapack? ( virtual/lapack )
+ lmfit? ( sci-libs/lmfit )
+ mkl? ( sci-libs/mkl )
+ mpi? ( virtual/mpi )
+ ${PYTHON_DEPS}
+ "
+BDEPEND="${CDEPEND}
+ virtual/pkgconfig
+ doc? (
+ app-doc/doxygen
+ $(python_gen_cond_dep '
+ dev-python/sphinx[${PYTHON_MULTI_USEDEP}]
+ ')
+ media-gfx/mscgen
+ media-gfx/graphviz
+ dev-texlive/texlive-latex
+ dev-texlive/texlive-latexextra
+ media-gfx/imagemagick
+ )"
+RDEPEND="${CDEPEND}"
+
+REQUIRED_USE="
+ || ( single-precision double-precision )
+ cuda? ( single-precision )
+ cuda? ( !opencl )
+ mkl? ( !blas !fftw !lapack )
+ ${PYTHON_REQUIRED_USE}"
+
+DOCS=( AUTHORS README )
+
+RESTRICT="!test? ( test )"
+
+if [[ ${PV} != *9999 ]]; then
+ S="${WORKDIR}/${PN}-${PV/_/-}"
+fi
+
+pkg_pretend() {
+ [[ $(gcc-version) == "4.1" ]] && die "gcc 4.1 is not supported by gromacs"
+ use openmp && ! tc-has-openmp && \
+ die "Please switch to an openmp compatible compiler"
+}
+
+src_unpack() {
+ if [[ ${PV} != *9999 ]]; then
+ default
+ else
+ git-r3_src_unpack
+ if use test; then
+ EGIT_REPO_URI="git://git.gromacs.org/regressiontests.git" \
+ EGIT_BRANCH="${EGIT_BRANCH}" \
+ EGIT_CHECKOUT_DIR="${WORKDIR}/regressiontests" \
+ git-r3_src_unpack
+ fi
+ fi
+}
+
+src_prepare() {
+ #notes/todos
+ # -on apple: there is framework support
+
+ xdg_environment_reset #591952
+
+ cmake-utils_src_prepare
+
+ use cuda && cuda_src_prepare
+
+ GMX_DIRS=""
+ use single-precision && GMX_DIRS+=" float"
+ use double-precision && GMX_DIRS+=" double"
+
+ if use test; then
+ for x in ${GMX_DIRS}; do
+ mkdir -p "${WORKDIR}/${P}_${x}" || die
+ cp -al "${WORKDIR}/regressiontests"* "${WORKDIR}/${P}_${x}/tests" || die
+ done
+ fi
+
+ DOC_CONTENTS="Gromacs can use sci-chemistry/vmd to read additional file formats"
+
+ # try to create policy for imagemagik
+ mkdir -p ${HOME}/.config/ImageMagick
+ cat >> ${HOME}/.config/ImageMagick/policy.xml <<- EOF
+ <?xml version="1.0" encoding="UTF-8"?>
+ <!DOCTYPE policymap [
+ <!ELEMENT policymap (policy)+>
+ !ATTLIST policymap xmlns CDATA #FIXED ''>
+ <!ELEMENT policy EMPTY>
+ <!ATTLIST policy xmlns CDATA #FIXED '' domain NMTOKEN #REQUIRED
+ name NMTOKEN #IMPLIED pattern CDATA #IMPLIED rights NMTOKEN #IMPLIED
+ stealth NMTOKEN #IMPLIED value CDATA #IMPLIED>
+ ]>
+ <policymap>
+ <policy domain="coder" rights="read | write" pattern="PS" />
+ <policy domain="coder" rights="read | write" pattern="PS2" />
+ <policy domain="coder" rights="read | write" pattern="PS3" />
+ <policy domain="coder" rights="read | write" pattern="EPS" />
+ <policy domain="coder" rights="read | write" pattern="PDF" />
+ <policy domain="coder" rights="read | write" pattern="XPS" />
+ </policymap>
+ EOF
+}
+
+src_configure() {
+ local mycmakeargs_pre=( ) extra fft_opts=( )
+
+ #go from slowest to fastest acceleration
+ local acce="None"
+ use cpu_flags_x86_sse2 && acce="SSE2"
+ use cpu_flags_x86_sse4_1 && acce="SSE4.1"
+ use cpu_flags_x86_fma4 && acce="AVX_128_FMA"
+ use cpu_flags_x86_avx && acce="AVX_256"
+ use cpu_flags_x86_avx2 && acce="AVX2_256"
+
+ #to create man pages, build tree binaries are executed (bug #398437)
+ [[ ${CHOST} = *-darwin* ]] && \
+ extra+=" -DCMAKE_BUILD_WITH_INSTALL_RPATH=OFF"
+
+ if use fftw; then
+ fft_opts=( -DGMX_FFT_LIBRARY=fftw3 )
+ elif use mkl && has_version "=sci-libs/mkl-10*"; then
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl
+ -DMKL_INCLUDE_DIR="${MKLROOT}/include"
+ -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
+ )
+ elif use mkl; then
+ local bits=$(get_libdir)
+ fft_opts=( -DGMX_FFT_LIBRARY=mkl
+ -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
+ -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
+ )
+ else
+ fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
+ fi
+
+ if use lmfit; then
+ local lmfit_opts=( -DGMX_USE_LMFIT=EXTERNAL )
+ else
+ local lmfit_opts=( -DGMX_USE_LMFIT=INTERNAL )
+ fi
+
+ mycmakeargs_pre+=(
+ "${fft_opts[@]}"
+ "${lmfit_opts[@]}"
+ -DGMX_X11=$(usex X)
+ -DGMX_EXTERNAL_BLAS=$(usex blas)
+ -DGMX_EXTERNAL_LAPACK=$(usex lapack)
+ -DGMX_OPENMP=$(usex openmp)
+ -DGMX_COOL_QUOTES=$(usex offensive)
+ -DGMX_USE_TNG=$(usex tng)
+ -DGMX_BUILD_MANUAL=$(usex doc)
+ -DGMX_HWLOC=$(usex hwloc)
+ -DGMX_DEFAULT_SUFFIX=off
+ -DGMX_SIMD="$acce"
+ -DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/"
+ -DBUILD_TESTING=$(usex test)
+ -DGMX_BUILD_UNITTESTS=$(usex test)
+ -DPYTHON_EXECUTABLE="${EPREFIX}/usr/bin/${EPYTHON}"
+ ${extra}
+ )
+
+ for x in ${GMX_DIRS}; do
+ einfo "Configuring for ${x} precision"
+ local suffix=""
+ #if we build single and double - double is suffixed
+ use double-precision && use single-precision && \
+ [[ ${x} = "double" ]] && suffix="_d"
+ local p
+ [[ ${x} = "double" ]] && p="-DGMX_DOUBLE=ON" || p="-DGMX_DOUBLE=OFF"
+ local cuda=( "-DGMX_GPU=OFF" )
+ [[ ${x} = "float" ]] && use cuda && \
+ cuda=( "-DGMX_GPU=ON" )
+ local opencl=( "-DGMX_USE_OPENCL=OFF" )
+ use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
+ mycmakeargs=(
+ ${mycmakeargs_pre[@]} ${p}
+ -DGMX_MPI=OFF
+ -DGMX_THREAD_MPI=$(usex threads)
+ -DGMXAPI=$(usex gmxapi)
+ "${opencl[@]}"
+ "${cuda[@]}"
+ "$(use test && echo -DREGRESSIONTEST_PATH="${WORKDIR}/${P}_${x}/tests")"
+ -DGMX_BINARY_SUFFIX="${suffix}"
+ -DGMX_LIBS_SUFFIX="${suffix}"
+ )
+ BUILD_DIR="${WORKDIR}/${P}_${x}" cmake-utils_src_configure
+ [[ ${CHOST} != *-darwin* ]] || \
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}/gentoo_rules.cmake" || die
+ use mpi || continue
+ einfo "Configuring for ${x} precision with mpi"
+ mycmakeargs=(
+ ${mycmakeargs_pre[@]} ${p}
+ -DGMX_THREAD_MPI=OFF
+ -DGMX_MPI=ON
+ -DGMX_OPENMM=OFF
+ -DGMXAPI=OFF
+ "${opencl[@]}"
+ "${cuda[@]}"
+ -DGMX_BUILD_MDRUN_ONLY=ON
+ -DBUILD_SHARED_LIBS=OFF
+ -DGMX_BUILD_MANUAL=OFF
+ -DGMX_BINARY_SUFFIX="_mpi${suffix}"
+ -DGMX_LIBS_SUFFIX="_mpi${suffix}"
+ )
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" CC="mpicc" cmake-utils_src_configure
+ [[ ${CHOST} != *-darwin* ]] || \
+ sed -i '/SET(CMAKE_INSTALL_NAME_DIR/s/^/#/' "${WORKDIR}/${P}_${x}_mpi/gentoo_rules.cmake" || die
+ done
+}
+
+src_compile() {
+ for x in ${GMX_DIRS}; do
+ einfo "Compiling for ${x} precision"
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_compile
+ # not 100% necessary for rel ebuilds as available from website
+ if use doc; then
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_compile manual
+ fi
+ use mpi || continue
+ einfo "Compiling for ${x} precision with mpi"
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi"\
+ cmake-utils_src_compile
+ done
+}
+
+src_test() {
+ for x in ${GMX_DIRS}; do
+ BUILD_DIR="${WORKDIR}/${P}_${x}"\
+ cmake-utils_src_make check
+ done
+}
+
+src_install() {
+ for x in ${GMX_DIRS}; do
+ BUILD_DIR="${WORKDIR}/${P}_${x}" \
+ cmake-utils_src_install
+ if use doc; then
+ newdoc "${WORKDIR}/${P}_${x}"/docs/manual/gromacs.pdf "${PN}-manual-${PV}.pdf"
+ fi
+ use mpi || continue
+ BUILD_DIR="${WORKDIR}/${P}_${x}_mpi" \
+ cmake-utils_src_install
+ done
+
+ if use tng; then
+ insinto /usr/include/tng
+ doins src/external/tng_io/include/tng/*h
+ fi
+ # drop unneeded stuff
+ rm "${ED}"/usr/bin/GMXRC* || die
+ for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do
+ local n=${x##*/gmx-completion-}
+ n="${n%.bash}"
+ cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die
+ newbashcomp "${T}"/"${n}" "${n}"
+ done
+ rm "${ED}"/usr/bin/gmx-completion*.bash || die
+ readme.gentoo_create_doc
+}
+
+pkg_postinst() {
+ einfo
+ einfo "Please read and cite:"
+ einfo "Gromacs 4, J. Chem. Theory Comput. 4, 435 (2008). "
+ einfo "https://dx.doi.org/10.1021/ct700301q"
+ einfo
+ readme.gentoo_print_elog
+}
diff --git a/sci-chemistry/modeller/Manifest b/sci-chemistry/modeller/Manifest
index 29be65387604..d1e2ba30e3e7 100644
--- a/sci-chemistry/modeller/Manifest
+++ b/sci-chemistry/modeller/Manifest
@@ -1,5 +1,5 @@
DIST modeller-9.20.tar.gz 34909796 BLAKE2B d89c81823c4d7784a7b3d64fdb01158a973edc7d8b316c773e038ba8645797c543d5bc58c1bff5462ae5975a6c2796f4b2d500641d226c3b2281cf794cfeba8d SHA512 667edeeda0a9038258f6932b3cef22a1e9d0fe47f47bd2ac612e7bac7f23a863f5a65cfd93abfa405310e7fb7b305d53e71d6c6e930613b0dbd43b24dcd5919a
DIST modeller-9.22.tar.gz 34953371 BLAKE2B 3bf8828b38f22955dea973cfe54cbd2f77bf021900bd5aa3c75f083b12e2a7199c3173de526acfeab005c0606816bac347b9bdfb6b62d5e3db9c9e18fed99ac4 SHA512 0056f09a07d6e2b565c8f4accca48ad176c9d32634b75bc4db60a187d56f22ef1710296dfd31bf27f496c5ed100146420be7cfdb135ca8b2b0fac7d7f5fa877f
-EBUILD modeller-9.20.ebuild 3694 BLAKE2B 59c5b091ae6c539f5fdfc962540f7af3db431b17b0e25b092822592b42db21dd70b20e25061008f787de8eb8e515bb4c4ee35a532ace514c28ac30625b08fb15 SHA512 19b8372748da5d9e6b3335a88e0dd6a29d25d2dee559cd533333480954ce633f31a2f878c45f425f96cc90ae6aed33cc6df400ab95c542cda424416d069c8764
-EBUILD modeller-9.22.ebuild 3679 BLAKE2B 8e04f3bcc3408e56397674a4839525cddb4b25d8558829e45f24e38208b08364a7b342ff52851a7265cd10cdee609b6f31c3b43031f5607684318a27a1cd0cd2 SHA512 f07e2b30ed1fecefdc3e25ed287b4bc4af285ec9fef8f461a6c0320d6f8c73166a481951f7baa0ca000dd94940c7293b4b05a8a3e34a826be968067bfbe973b8
+EBUILD modeller-9.20.ebuild 3694 BLAKE2B 8547065d37bb0011ee88b5970984f6756a2194dcc6c256599d1ad78d8ca3e43b3ad08c30306993d8bf4404e7c407bf4162bcb7242427dbc105b66c14cb3cf26e SHA512 c89756d95e2990a2248794227771df67ca940a71e831a472252878ba027fcee95c8a00157cb3d3fa81591ab0f7c8984236c8235164669dc993d3ff0ae93850d4
+EBUILD modeller-9.22.ebuild 3682 BLAKE2B 0834fd52f447c66e9518bd9068669c21b7aaa4731b608b29bed47de48c87e2f45c825997760d07a05fcb88e4255f82cf9d09cd5a410fc337a057532c3d121cce SHA512 02458a89515ef1b14ea59789d7d32c82c52a7e84b86140eb3f866a65be8ca134bc825c5e03785bffeb056a405bb822dfe3b33394ee52a4fe3166b86770228162
MISC metadata.xml 265 BLAKE2B d5a98b9309829a0486c4b8a4336c2d24a0fe34e926d52afd0cc87e16fcc887ca4c18851e58afb33866823121fa8f221a90e0d726dbd85552a4caf66cf03b7b4a SHA512 470f6c178e88c4e83afa46d5e901a45fc2427a779ae832df7fa2d6e25e9e8b4ce77cd3a8fe191e6242d6df3b673f0de6b4f90f1e147aa8b8dd566f18163cc73a
diff --git a/sci-chemistry/modeller/modeller-9.20.ebuild b/sci-chemistry/modeller/modeller-9.20.ebuild
index e7e80937b7fc..641395067b0d 100644
--- a/sci-chemistry/modeller/modeller-9.20.ebuild
+++ b/sci-chemistry/modeller/modeller-9.20.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=6
@@ -36,12 +36,12 @@ pkg_setup() {
esac
}
-python_prepare_all(){
+python_prepare_all() {
sed "s:i386-intel8:${EXECTYPE}:g" -i src/swig/setup.py || die
distutils-r1_python_prepare_all
}
-python_compile(){
+python_compile() {
cd src/swig || die
swig -python -keyword -nodefaultctor -nodefaultdtor -noproxy modeller.i || die
distutils-r1_python_compile
@@ -52,7 +52,7 @@ python_install() {
distutils-r1_python_install
}
-python_install_all(){
+python_install_all() {
cd "${S}" || die
sed \
-e "/^EXECUTABLE_TYPE/s:xxx:${EXECTYPE}:g" \
diff --git a/sci-chemistry/modeller/modeller-9.22.ebuild b/sci-chemistry/modeller/modeller-9.22.ebuild
index 57f11e16861f..2bc08bd43d4e 100644
--- a/sci-chemistry/modeller/modeller-9.22.ebuild
+++ b/sci-chemistry/modeller/modeller-9.22.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -36,12 +36,12 @@ pkg_setup() {
esac
}
-python_prepare_all(){
+python_prepare_all() {
sed "s:i386-intel8:${EXECTYPE}:g" -i src/swig/setup.py || die
distutils-r1_python_prepare_all
}
-python_compile(){
+python_compile() {
cd src/swig || die
swig -python -keyword -nodefaultctor -nodefaultdtor -noproxy modeller.i || die
distutils-r1_python_compile
@@ -52,7 +52,7 @@ python_install() {
distutils-r1_python_install
}
-python_install_all(){
+python_install_all() {
cd "${S}" || die
sed \
-e "/^EXECUTABLE_TYPE/s:xxx:${EXECTYPE}:g" \
diff --git a/sci-chemistry/pymol-plugins-emovie/Manifest b/sci-chemistry/pymol-plugins-emovie/Manifest
index e364858d142c..bc3bedfdd4e6 100644
--- a/sci-chemistry/pymol-plugins-emovie/Manifest
+++ b/sci-chemistry/pymol-plugins-emovie/Manifest
@@ -1,4 +1,4 @@
AUX 1.0.4-indent.patch 706 BLAKE2B f99a3554f0a00c5c075ba23179238d32ce7acddcace31e4c7cb0f995cf2c5a7a0ee4c5a0db4b2dc079a70d6e0ca34e52ac5276ffddcca441e49eb1746ba2962d SHA512 6788795d177db8c7597376a364eed79cc40a2423c6d86b837f4378308515d6f41a6c352df775de309d363ec284997a688285f2f851d5d84e891e78a771580b0e
DIST eMovie_package.zip 22840 BLAKE2B 593548d5f940432cbf71580410fba01bcf54f884d6ac1a726a0ce65a7efa4d90c283985f81b5348eadaf54f497a32e1d478ca803cb0fbdacd7bfde30b939d864 SHA512 5d4af5f8bd6e7e0f24f33d769925bd0444389b1c0fbdd14776f4073fd3e1e818c4623791bcb0cff5496729dc55e0429c48c3c16cb5fdbb91c51f9c5445c7afe4
-EBUILD pymol-plugins-emovie-1.0.4.ebuild 766 BLAKE2B 320cc7e4a33ec526d58bc46d05c7e5d2e0f8ce956cca59364aacd8e2cb01ade3065a67ff577d97189bc9230f6e96152e05c8b9391b38d8e6e3d7fb0e46cf442b SHA512 86108391b4ef388fbfd769ce8ed7551404cec3671e8ad71c700b914376ef408dfc965eb7ed28b1e2c522eb5788b8b659a8d79bc0a44bce5d736d03375e3b80eb
+EBUILD pymol-plugins-emovie-1.0.4.ebuild 767 BLAKE2B de65bfdc624e16c23026729e7853a8f44e861583684c92c1574c7a8cab6442a86b2d9874e3456065d780bebd55e5046472326bb2d1914b16d784c008892ab94b SHA512 d915784d50895f04230189d39b8d819cbdca7fcf620ce6cd688139fd5a687ee8fef1415fb63f54758b588774c06672b9712943fed126a7de6db436034588de5f
MISC metadata.xml 265 BLAKE2B d5a98b9309829a0486c4b8a4336c2d24a0fe34e926d52afd0cc87e16fcc887ca4c18851e58afb33866823121fa8f221a90e0d726dbd85552a4caf66cf03b7b4a SHA512 470f6c178e88c4e83afa46d5e901a45fc2427a779ae832df7fa2d6e25e9e8b4ce77cd3a8fe191e6242d6df3b673f0de6b4f90f1e147aa8b8dd566f18163cc73a
diff --git a/sci-chemistry/pymol-plugins-emovie/pymol-plugins-emovie-1.0.4.ebuild b/sci-chemistry/pymol-plugins-emovie/pymol-plugins-emovie-1.0.4.ebuild
index 84f0f575775f..e7b2eb7d4771 100644
--- a/sci-chemistry/pymol-plugins-emovie/pymol-plugins-emovie-1.0.4.ebuild
+++ b/sci-chemistry/pymol-plugins-emovie/pymol-plugins-emovie-1.0.4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -28,7 +28,7 @@ src_prepare() {
epatch "${FILESDIR}"/${PV}-indent.patch
}
-src_install(){
+src_install() {
python_moduleinto pmg_tk/startup
python_foreach_impl python_domodule eMovie.py
python_foreach_impl python_optimize
diff --git a/sci-chemistry/pymol-plugins-promol/Manifest b/sci-chemistry/pymol-plugins-promol/Manifest
index c6a0d1129d37..3ab256ab2aba 100644
--- a/sci-chemistry/pymol-plugins-promol/Manifest
+++ b/sci-chemistry/pymol-plugins-promol/Manifest
@@ -1,3 +1,3 @@
DIST pymol-plugins-promol-3.0.2.zip 2219295 BLAKE2B 7e81de98ee20f6b22fabeca35b0825250c3b839b9ea51f6c0b51f15062c73810474bd377d0e39d3c2ac0d61f1b5cfb4174c53f1dfc67a11dfcd707eee417a7ed SHA512 e40e9c08e2cb1b223390d751bb1f32069924f1c23aa2b4bdafb6689254e6aa673d4412aca587792f660869f97a389db8a9183033d8b2394c998d0f911104d8d7
-EBUILD pymol-plugins-promol-3.0.2-r1.ebuild 1557 BLAKE2B 02f41754789b708be3d4227323bedf8cb8e2c48e3d62b360390edba43b7a453991a1569ff1c1e2bf4f8d7a52dc5f89aea54e1d3ecb512dba189dd2c4dee566b8 SHA512 c7a39b8e94437b69396f3cdc43b84b2049b5923ac6d32685143a97e82d87ca1ad485b43eb125b9a63171c8c604569b2e546aa532f1b378a5ce3b8947bd9fdd0c
+EBUILD pymol-plugins-promol-3.0.2-r1.ebuild 1558 BLAKE2B f1edafaa69e64650e011441e31270feaed5e4454eff02efc5aabf7395595c37af271152501810b3c55d22bd7573ba7d54fbbc928c08d1b7be97e11762a6c131f SHA512 622299497c6d02a5d29bf30227c92dc00b1bee873b17d39c61c65f2e6b6b3aae7d902f4557cc1ccda14e95f8ba10963fbbcc7e29be6e245f1eeb8d68b08d7c5d
MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92
diff --git a/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild b/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
index 030ecde978e5..d1c826850f60 100644
--- a/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
+++ b/sci-chemistry/pymol-plugins-promol/pymol-plugins-promol-3.0.2-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2019 Gentoo Authors
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -39,7 +39,7 @@ src_prepare() {
python_foreach_impl preparation
}
-src_install(){
+src_install() {
dodoc *doc
dohtml -r Thanks.html EDMHelp.htm Help
diff --git a/sci-chemistry/rasmol/Manifest b/sci-chemistry/rasmol/Manifest
index 0bfc8a3f1d3c..b2c751807965 100644
--- a/sci-chemistry/rasmol/Manifest
+++ b/sci-chemistry/rasmol/Manifest
@@ -3,5 +3,5 @@ AUX rasmol-2.7.5.2-format-security.patch 1617 BLAKE2B d9a083ae6c72724359274da5b6
AUX rasmol-2.7.5.2-glib.h.patch 770 BLAKE2B 1c83587711540a9e2b91b53ffd0836cde27f040c593b7d771eb185edf8e72b50f09d1c38ef0b2510effee95649bbaf3adf7d0340f49a38381bd15200fd94e749 SHA512 d743b89817d0ed2aa551f3a6529e5bcc50c811d79c0deddd50d07a59614cb0c2d71500452ff9aec4b4b84e4985d9851f61aafa30196356aa1724212b5159375e
AUX rasmol-2.7.5.2-longlong.patch 396 BLAKE2B 68ce4bff3584bbc6331ad5e27171d23e443be2d24b60bbd45dd02d4f04b5531cfd7fdb18904471c85ef107875fb23574f6b3212b78706746cc73c39d09cda801 SHA512 4c3ce01ade36fe8a9512bdac62bcd47268bcc5a0448f4af69b26d8add9cc8495d376bac33a8ae5aeae42fa114a1cba980ce86559bf2d52334257f2e001c011d3
DIST rasmol-2.7.5.2-13May11.tar.gz 9768769 BLAKE2B dcc9bfe9381ebab6bbf5a12e233490f076ead2388a22e3186421e3489bedde987813b1f65ce7b17ef168389c33d03bd7d4a8162635c0a79b3dc704eade23715d SHA512 c4fd149c002a34d8ce7620a7eed37aa6020acd83fc352a4c16697eb94e6a0377c55455cb6da5fb3f492f879248a6707f677f4b35572f2295b23fc924ddf3128f
-EBUILD rasmol-2.7.5.2-r2.ebuild 2277 BLAKE2B 4808f417fe98f8c3da9ee801100eaea574c3ae85dbe6e563f3a11a9be7117d5ca9945d6f64638296afc5c5baa4c2081a2bdfc4ee98f3d1ca6c6676248334fe5c SHA512 505a14c99ab9706b759fa703d63990365ea7c864c062dee4ad11d2f821bb004b576aa69bca1704c29191fa7949ff5c682497fe45a97b606edd5ba39d229b3068
+EBUILD rasmol-2.7.5.2-r2.ebuild 2273 BLAKE2B 44264c14a7f44c7577d4624daad6f6e813d621bc26ab1fbbfa848e8f899fdf5db97c74a2c94ac28252573be824696b1586686123a2cf065df4616ec24b0ab874 SHA512 2a5bd8b137e9490415926cd9d7b29f092703d8ae1d9b4f4aeea958eacfead072086e85ce5741ff644c587c6e7c99d7afb375f66f6bfc3330d936b13d9d611f4b
MISC metadata.xml 355 BLAKE2B 71f9b1537eea00556419ae1c9920458d86992e3c0b01083d55ca02f162c420f82e8f52ee8af224573912e2b988497901702962ed3b54342991f22e1eec37ce2e SHA512 98822367149551ef6af6d75e4bd0b9104f1a625a5a17e1a2dad32e7ed83345870dc45392525cfe7e49514eae29f986e8ac2ed253ec22fec94d6152f96620b916
diff --git a/sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild b/sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild
index 8f91aad3f659..6c8eb7c7eea0 100644
--- a/sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild
+++ b/sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2018 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -91,7 +91,7 @@ src_compile() {
EXTRA_LDOPTIONS="${LDFLAGS}"
}
-src_install () {
+src_install() {
libdir=$(get_libdir)
insinto /usr/${libdir}/${PN}
doins doc/rasmol.hlp
diff --git a/sci-chemistry/theseus/Manifest b/sci-chemistry/theseus/Manifest
index e15e2e40e4ef..bc633387ad18 100644
--- a/sci-chemistry/theseus/Manifest
+++ b/sci-chemistry/theseus/Manifest
@@ -2,6 +2,6 @@ DIST theseus_2.0.6.tar.gz 1257560 BLAKE2B 80115f5ace6fe306b10254f9a7b889e5bc61af
DIST theseus_3.0.0.tar.gz 1213574 BLAKE2B 17021c7d36b3ac3d8e7f84bbe2614523d461a3877bca4b20b6891b67de02b0d02376e695f0db813e8f598f7dee32076548444defc30b016588b70be14cf3f308 SHA512 251e6273624126406609691e1205d9693c18dcbc8c81e10c77101ac4a1b6bdffcb56a47fd5fdc7ed6ed4fa107c2ed26b03a1780f951f9cc69a25c0722996e7b2
DIST theseus_3.3.0.tar.gz 22548124 BLAKE2B 0ad49f768e1584bf40e90ff6fd0d884b6b27ee59ad31ce75050293b817a3747969ab0c4b4ff982aadbdc5301c1c56522540b78aab045e841c099a80dd546c8e9 SHA512 1fba3e8019a40214defdae13d4721d170ee698337d8efd4e872af22f8ab3cb1fdd52fa9f19a858ee51bc98150692af0c6016033feb0d76f29acaf7fffbb430e2
EBUILD theseus-2.0.6.ebuild 1449 BLAKE2B 8d6282e40e0cb06a26171e11fa220dbf00e28ec682e1ebb97bdb13658b1e661cff2f31d88a3251dbd8664ad44e9d19b0624d80b5372c02827d10a28021dc2683 SHA512 35fce318510a70da251151061013e52dc0c16b0bdb8aed4ecd1dca2deb53a662290d4700a5df3bfa755c785e8b481cdd7f83a2263a3823823261044079e69a26
-EBUILD theseus-3.0.0.ebuild 1503 BLAKE2B 1ac8f6843f49a223005c13e10979684ed85d0a91f8adc526cbb0f8434f3d905feeb197f7a7895c86b421e68c702b8e44db79a8626bf1f0d99f8718b423eb38e6 SHA512 cb2824c8e5fff646ffd6523cb47385143e366ad19e92685b411d4f3ac8827d16260da048e29666ce3aa7a328d3ee136ef309e5443e252dac1862f987bac74bda
-EBUILD theseus-3.3.0.ebuild 1503 BLAKE2B 1ac8f6843f49a223005c13e10979684ed85d0a91f8adc526cbb0f8434f3d905feeb197f7a7895c86b421e68c702b8e44db79a8626bf1f0d99f8718b423eb38e6 SHA512 cb2824c8e5fff646ffd6523cb47385143e366ad19e92685b411d4f3ac8827d16260da048e29666ce3aa7a328d3ee136ef309e5443e252dac1862f987bac74bda
+EBUILD theseus-3.0.0.ebuild 1499 BLAKE2B 23e60b603438314d0a5068651cfbbe6a9eeec9569a276ca9695eb4a24a5969ee798265085023c734038aabea515f5c9f6b49876569428da10ad08a62ac5a6327 SHA512 edbe86d80416fa9256b26ee95ae77e3973b2cd171e3a6ab02976127b8dfaa7541a1f35f1500afcc7200140a54bc22309bcbeaaa341b5032e6549fb5e85bfdfda
+EBUILD theseus-3.3.0.ebuild 1499 BLAKE2B 23e60b603438314d0a5068651cfbbe6a9eeec9569a276ca9695eb4a24a5969ee798265085023c734038aabea515f5c9f6b49876569428da10ad08a62ac5a6327 SHA512 edbe86d80416fa9256b26ee95ae77e3973b2cd171e3a6ab02976127b8dfaa7541a1f35f1500afcc7200140a54bc22309bcbeaaa341b5032e6549fb5e85bfdfda
MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92
diff --git a/sci-chemistry/theseus/theseus-3.0.0.ebuild b/sci-chemistry/theseus/theseus-3.0.0.ebuild
index 9eebccc8bc96..583bdf1e28c5 100644
--- a/sci-chemistry/theseus/theseus-3.0.0.ebuild
+++ b/sci-chemistry/theseus/theseus-3.0.0.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -57,7 +57,7 @@ src_prepare() {
-i theseus_align || die
}
-src_compile () {
+src_compile() {
emake ltheseus
default
}
diff --git a/sci-chemistry/theseus/theseus-3.3.0.ebuild b/sci-chemistry/theseus/theseus-3.3.0.ebuild
index 9eebccc8bc96..583bdf1e28c5 100644
--- a/sci-chemistry/theseus/theseus-3.3.0.ebuild
+++ b/sci-chemistry/theseus/theseus-3.3.0.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2015 Gentoo Foundation
+# Copyright 1999-2020 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=5
@@ -57,7 +57,7 @@ src_prepare() {
-i theseus_align || die
}
-src_compile () {
+src_compile() {
emake ltheseus
default
}