summaryrefslogtreecommitdiff
path: root/sci-chemistry/gromacs
diff options
context:
space:
mode:
authorV3n3RiX <venerix@koprulu.sector>2023-01-03 20:27:24 +0000
committerV3n3RiX <venerix@koprulu.sector>2023-01-03 20:27:24 +0000
commit27e5574c9ed56a2633e25f7fa8f591554266a1b4 (patch)
treeeafae39b8faa55ceb7cc8100d5d03a2dfc9b7842 /sci-chemistry/gromacs
parent5aede38e7304fc5c3bd8a2034b25758b15a19fa0 (diff)
gentoo auto-resync : 03:01:2023 - 20:27:24
Diffstat (limited to 'sci-chemistry/gromacs')
-rw-r--r--sci-chemistry/gromacs/Manifest30
-rw-r--r--sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2020.7.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.5.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.6.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.9999.ebuild6
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.3.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.4.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-2022.9999.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-2023.9999.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-2023_rc1.ebuild4
-rw-r--r--sci-chemistry/gromacs/gromacs-9999.ebuild4
16 files changed, 54 insertions, 54 deletions
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 1632c9ad9e57..7118162cbf4a 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -31,19 +31,19 @@ DIST regressiontests-2021.6.tar.gz 48537070 BLAKE2B 982fad6b23da5c1e6d32009f9f08
DIST regressiontests-2022.3.tar.gz 48615675 BLAKE2B 731d9a210dcd481df937182a9a8239087549abd118d1386175ef68979e139ae33089cfc304e0389670ad15a196008c282ddf62968a7e8bfccac22c0a96add276 SHA512 98888ad908705ac29ae958591368e994b091a1619782b49601e41f576c821eb3c96a713449151b8db59d46bc6dd3bcb363f5d0cda354ce6b39a9bb93ba31f913
DIST regressiontests-2022.4.tar.gz 48614599 BLAKE2B d41d59d4336455c87f3877be48ec49b2cdc989548c51ef9c8277b05bb6cf3dc05ebfa91a0248cc113c130a0ed19aae2c8316184caf37b72aa612b211fe41b144 SHA512 6495a286b201774ea2a922376ff5c0abaae7aaef1dfd28a1a61c817b5c6ac83db99300d43cc019745ca32a025e1f8a7f538342af539d9d753e494c550b429706
DIST regressiontests-2023-rc1.tar.gz 48611523 BLAKE2B 4ef09171007c45f38239c8e966d0c9a611ee9b133c91fb51fc5d25a7f67eab01e32b1ef89c12b42eb140b5e189834697e4116ad6c9c302ab33d15cf871ac61d6 SHA512 f5c2a486f8b416140b69841c42df8bb1e38fc0d7b58badc4370a59ca543c48c7875a877eab828ee03f87e55501f4e8fcdd18103939825f8b57f681f99b108f42
-EBUILD gromacs-2018.8-r1.ebuild 6663 BLAKE2B e8ad49c7711cc66b23982f3878469f05570430dfd523f0b6d382d3cb268dc83c8e7c58fc65e14341776b1b53667e67ecac3fefb4ac4f2c3a9ebec8ae69a4c8e9 SHA512 1d643cbec284478077ab580f093f1213493833a31ec6c92247dd2be3116580a5725ba0bb13b6543ce6ccc8e30903b61d4e7cbf6735fe5685ac372f4ce45a91fc
-EBUILD gromacs-2019.6-r1.ebuild 6987 BLAKE2B a1b1ab4a44cdc8dccc0e1b59968d0eb1980f29d6832a8866c45eb975398acc4a763d04246b656b9835430d2f65f85516182694db75c63c3727b37a542daf4a18 SHA512 315b24af88d73f39f71657632444d90c75568ab0f8cab26db6efd2bf7a48a5da6883c7bba152ea6f6ef3e407ae0828997d8ec1ff2bc4df350d07bd9f4b0af0cf
-EBUILD gromacs-2019.6-r2.ebuild 7044 BLAKE2B 4e3efee40fcf70267e3dfc91ee3a1d648892a66d713b36945d49fcaddd8aeec93a06a7e541187bed8334ddf1445e46822425c7126e0f966690a9501804c0a7d4 SHA512 6ba9c1e0293cd202ffe4689c97e39ebca7a4680bbb1c0acec21622fc5486bec8fdf091b6b49120961306c48b000f5d1804429bf7642043801a2593c83701915f
-EBUILD gromacs-2020.4-r1.ebuild 9835 BLAKE2B e43cf4ccef489ef190513f3b7c58ee2102bceb577a89cc4a2ba7636832e254f73d38b8ea39bc3a6c5a787a7c03166feeb63b3c537ca2b8cbbbec67f15676041b SHA512 837f23ca7174dc7a0e210e5cd5bad3fc5702e971f2f25b350b5953e879b89a466549f7a40c8fd7b79850f9b15bc9de4a8af3465eb2586b7416ac5f9ae80f43f3
-EBUILD gromacs-2020.7.ebuild 9838 BLAKE2B 4ee7852fa5b5ff4ce277edcac0908ea4689387e073e7db922f4296fd00dd0240bf9e3b639c5fe8684aa92292a992ad0c608680ed2910084d940fa0c1f2aa61fb SHA512 68bf8266f72b7195d8efbe4e4dbd104544f8cda63aa94d79f95e0f4c734c71ef2af3a2ecc52c19a2bb570d89ef064fdd34b4b333e70a5539ecdb34eeee0942cf
-EBUILD gromacs-2021.3-r1.ebuild 10042 BLAKE2B 623d9ec88841c1ca7c80f86e8fc017821c79a6d35bf1d5e31ceddebedd775cd14779608e54ff15e1f061c71eb7029dafcba5b09172eb262350e4a24984bb424c SHA512 c2112b107f082b51decca1c0cf07b7c09d0bdfac4228ad73728ad1db4b214253a51e0435cc5650f136dc50433fbc33892407b2a206cc89aaf5585d5ac1320ffc
-EBUILD gromacs-2021.5.ebuild 10045 BLAKE2B c6dcb4373636b85999d5977dd77ef1af00dbf6c0180f909fb5b2b50f853bedcfd40562434eb1cdb661cdfc4db9067dadff56a58092b8012da6eb177b156cee2b SHA512 319dedef4da4bf679ff298e5450f883062344cdf767d257c08d1ed61bd8feb4be9c994685b6ffe78c48cab473b74009f235134045a63cd9c3c3b48ea7f306c0e
-EBUILD gromacs-2021.6.ebuild 10044 BLAKE2B afcf683643b5808abe13ec94473871434bb660d376d3696d0dca95dee0cfe109bceb026644cc880fe659136b05cc567da565d34ee0409711ffc5083d7b730768 SHA512 29faf6227d2f5e01c205de486d6e2790da61497cb55a5f7855d8688168d7b1edb279676db5f276d7ef54742ec7ccdfb85e603f0fb5eff50e3289a6aba5c789ef
-EBUILD gromacs-2021.9999.ebuild 9989 BLAKE2B 3aa0458322c25710920abdd4609245dd3c7b679229458543ffd4830893d832fb2585bed41afd299a23c787ba9d8a17a32ea9e44bc4f84047870037d06a1f5a4c SHA512 f0e5b1c1980d2f27196d348d6b362f1fd976af6579549eea8a1bf723073ed83a9ee7031b3e2de50abe9c23fabb6c736232b5ef0b20d4776608153f617b3001af
-EBUILD gromacs-2022.3.ebuild 9590 BLAKE2B 8158822224006946b320786b17f607d4f561a0427a5f44dcfd69cba2feb5aee7d3e1b86a4ebd9f712ea8a475cd166d29e1e1441e2160a703662fa324b2f7db53 SHA512 22561e31e3abbbc834a0478e43fcc533d7a3d51352e46cf202adb0714953d257f8f8b75034289c8ba6755de7e29f3c0dbfbbb275cd4997d631b280045881d9ca
-EBUILD gromacs-2022.4.ebuild 9600 BLAKE2B 6a08feafed6df5444a0845366fa50905fc4ce54dcbf6249bf72a644f1c8fdb026ed565fa2be60853e43b298fc9667dde2d841a765349d8bac316e36d7d3e085d SHA512 0fcf5415eb27407d22f8e568a6610346dec3df2d758ddf56d7dcedf6e07f3116ed94376f42657a68a604d4c852557531518829af5648ad6fd76daf25a24a2a4a
-EBUILD gromacs-2022.9999.ebuild 9600 BLAKE2B 6a08feafed6df5444a0845366fa50905fc4ce54dcbf6249bf72a644f1c8fdb026ed565fa2be60853e43b298fc9667dde2d841a765349d8bac316e36d7d3e085d SHA512 0fcf5415eb27407d22f8e568a6610346dec3df2d758ddf56d7dcedf6e07f3116ed94376f42657a68a604d4c852557531518829af5648ad6fd76daf25a24a2a4a
-EBUILD gromacs-2023.9999.ebuild 9548 BLAKE2B bc1b8b16d6796bd4ec1f17207de355e935b2bddb81d07646a11a7779692e375d6f4deba51575fc5d1e733d0e96d6aec7805cf0b7ab12fc8b5799331b12a6b3b1 SHA512 9f656c7be027b76c4906013478ff359e55b4bc61cad65a7298ea89a04278c0ca72a4761026aeb7c99d710078d4265a6107e7141f4b6014ec462de75377056032
-EBUILD gromacs-2023_rc1.ebuild 9548 BLAKE2B bc1b8b16d6796bd4ec1f17207de355e935b2bddb81d07646a11a7779692e375d6f4deba51575fc5d1e733d0e96d6aec7805cf0b7ab12fc8b5799331b12a6b3b1 SHA512 9f656c7be027b76c4906013478ff359e55b4bc61cad65a7298ea89a04278c0ca72a4761026aeb7c99d710078d4265a6107e7141f4b6014ec462de75377056032
-EBUILD gromacs-9999.ebuild 9548 BLAKE2B bc1b8b16d6796bd4ec1f17207de355e935b2bddb81d07646a11a7779692e375d6f4deba51575fc5d1e733d0e96d6aec7805cf0b7ab12fc8b5799331b12a6b3b1 SHA512 9f656c7be027b76c4906013478ff359e55b4bc61cad65a7298ea89a04278c0ca72a4761026aeb7c99d710078d4265a6107e7141f4b6014ec462de75377056032
+EBUILD gromacs-2018.8-r1.ebuild 6675 BLAKE2B 46cd37f680b71e001586e88974f7a69bd8e41d07de2464ab0d8d80f7755a68da45b77ad28e01444cb48b0156e6f4332dc8fc67d21944c76768b9cbd18804cc46 SHA512 ece906b1c1d3b401ea85121b280f99fafe92f791918c47aab57f1094b53e95a5786812e414928ec765ef44fbecf6219e094dfb74d5a52f0b5fccbdf736a37968
+EBUILD gromacs-2019.6-r1.ebuild 6999 BLAKE2B 3f7480ed9d2a1a83f25e3adf83c40ce435bace719c1eca939821986847190fb9f0767082f53868093627f4bf0bf7d2efc8d381c739ba39ab19ee3aea98bdbaa8 SHA512 1cc8d84a5ec60e21c0b15044ff83a64f4b0c484773e709f0f5351659597c848dde40a8c9d0824d83f94f4e31b3473b8a80bc34536fc6b64b6d8c38fc582a945b
+EBUILD gromacs-2019.6-r2.ebuild 7056 BLAKE2B 7d9265c4e0a1f5783b3c670eacc6da185e08713a4940fe24696d2070e1ea1c75307e3674c2922a3692acbf4857bbeeacc7c323bee27063e4224cafd067d105e3 SHA512 73097f03bc1778bf43de2af76388ecc35f12077dbab94b13486f2528b26ab1e1d4983d293c4eea8e4451202a0356286b86e80b1a473835f5422a7fa1dc5a2d07
+EBUILD gromacs-2020.4-r1.ebuild 9847 BLAKE2B 2eeb844a20226cb44e0f9e9e49067c7997f209006c408cdfc52a382b423f020e9864332f816b5545d540f6e091a86c2ae5adc6c2c82e395d2273d90cd025799d SHA512 22bcb966aa4826d2dbbe6abc3cf74c4b8ec4d726af8cba0e246436b5dbed258fcdd02d9f802a54dfd165325fb03c68c3e51bdbd710ec7872bd14d264005547b9
+EBUILD gromacs-2020.7.ebuild 9850 BLAKE2B 240a35a9bfcd3c58a9e2553a5c8a5983d03df4f088071dcc24fa17775d418c9ed7e0d7a8b2f18718d4f1bd72b65cc5a37f7ff342d68b9dfab32c1896a92ef270 SHA512 3ace7423efd1c017cb14357cc2e560db4d2f59c835440c562dca34dc2f970b8a27d4028aebf7e0e21d4106af082fc21bcff4778f50b9b41686ea3459d17a30a5
+EBUILD gromacs-2021.3-r1.ebuild 10054 BLAKE2B 4b5f95e902459d5e045813b400940042d9add095a9fbb9b6b2f4270ff7abf1663ad10e8d627088006d0a453841d3822a36ad9379bdc860e44d28bb00cdd0eb1b SHA512 834b9cd9b3e2780ec85c4299ef237807a4e5d263b5085a5a54044b8d79ddbd5062c843ce08d876737e27880d5898dea54e1db962cd97da09c83d71c058b00cf8
+EBUILD gromacs-2021.5.ebuild 10057 BLAKE2B 55acef36ea9bce27545d9cf1aa1c1bb700eb7bdf87bd1847663af94a37c9fadcc2bf7af48a555e4ac143d5b8e43b0371afd13db9dcc61c5b995c09cfac07b26d SHA512 f2e34e1541861d0a191f0359b3903657d0ae3caed2630ea4560d350c8ba549c413ccede63e7af23e4e724e111a311c4ce05ed0a3874825581b755b11b0fe67c9
+EBUILD gromacs-2021.6.ebuild 10056 BLAKE2B f92928d42527c4f124e36daf9f4e0058b1e6612b903bfc56e6bdfb9d51e2d81da97f50f4f88f25499fd60e54fa99008798c6cdeb8cee7bcb3e813b59d2fbfef9 SHA512 77332ede9b299408870bd70f52a1e8b5ab7234d5953fb2d6f59d46e42f9a23bc21599096635de483e12a1acde3df0f2cf966ee5922489959394fbd980e495b27
+EBUILD gromacs-2021.9999.ebuild 10001 BLAKE2B 3551270914fae1d69b6d8ddfb859ae38685031b0abf187a4a1e329f9f0fa28f86a11e2c6cf5cc100f4af40305146d4c9a2d021a027228cf424f2a82e310a8cef SHA512 f5e2bd5a3dc38ebc0782922678250be1e7736c26a33d629efd2ac6be7578c7d021e376f9ce1b1e5a201e560a9bd7accc5cb9c4dad3dd11a57e9eedcf7b2014ae
+EBUILD gromacs-2022.3.ebuild 9596 BLAKE2B f6e667ad0c6bb098999d6aa27ce0c731fc88e08007affee7c43ff7ead7e1ddda3d66ef6c151e771825ed0e029b323a5ee864f6ba2829213eac795c890cbf055e SHA512 769587f790e6d57c4c88d64ebbba41f1ba9770cea5ef42603426e819163a666de09a85d6e1deff87e4f2ab8e4785b384023b9f0f08c329428eef00df979f090e
+EBUILD gromacs-2022.4.ebuild 9606 BLAKE2B 1f189a61a229a2c104d762cb7ae5295bcb8e5f7448a8285a591b2f429f0695f04cb392997d062c7602cc5c85674ef18237b02bdf21cd67518baf074774823669 SHA512 e385a5049d4914cb0dc29242c7f7d44268774734991da2f480ade2fe0775893527df6c82164404c4b6b8dd97aaa6978a8a5e0ef5d3a888feb821bb889b519498
+EBUILD gromacs-2022.9999.ebuild 9606 BLAKE2B 1f189a61a229a2c104d762cb7ae5295bcb8e5f7448a8285a591b2f429f0695f04cb392997d062c7602cc5c85674ef18237b02bdf21cd67518baf074774823669 SHA512 e385a5049d4914cb0dc29242c7f7d44268774734991da2f480ade2fe0775893527df6c82164404c4b6b8dd97aaa6978a8a5e0ef5d3a888feb821bb889b519498
+EBUILD gromacs-2023.9999.ebuild 9554 BLAKE2B 852b1e49834ed1fab5e24e50dffe2a30dfd6462a0cb5cea6375251d3919635c60747d9bc2887c3eef1220f346753882c4a939eea38912e052fbf31cf6a67c459 SHA512 ebf7ed758cbb3a677d57b443952ebbe74fa836fdfce6de99e3a069a77e90c7644f20f89f48be2f4d6c24fe8b1992cfa3a1ecee478dd87be50e4cfb66835b10b0
+EBUILD gromacs-2023_rc1.ebuild 9554 BLAKE2B 852b1e49834ed1fab5e24e50dffe2a30dfd6462a0cb5cea6375251d3919635c60747d9bc2887c3eef1220f346753882c4a939eea38912e052fbf31cf6a67c459 SHA512 ebf7ed758cbb3a677d57b443952ebbe74fa836fdfce6de99e3a069a77e90c7644f20f89f48be2f4d6c24fe8b1992cfa3a1ecee478dd87be50e4cfb66835b10b0
+EBUILD gromacs-9999.ebuild 9554 BLAKE2B 852b1e49834ed1fab5e24e50dffe2a30dfd6462a0cb5cea6375251d3919635c60747d9bc2887c3eef1220f346753882c4a939eea38912e052fbf31cf6a67c459 SHA512 ebf7ed758cbb3a677d57b443952ebbe74fa836fdfce6de99e3a069a77e90c7644f20f89f48be2f4d6c24fe8b1992cfa3a1ecee478dd87be50e4cfb66835b10b0
MISC metadata.xml 1375 BLAKE2B 321b7db8536061655a6efaa40110f4858633921292eba465b85fe0cb50280842e511f2f11385fe5d62bbdfb40e9c0c76e8e986a1efce8eac25d52c438d7ed5f4 SHA512 cc61e0b477f6576079a0f7910475b9091c1c521fbb48efab365d355e3c0a80cd19e1ea9028cb269d37c2572546b1be66a210512e40ff0f2d6314d1b0138cdba6
diff --git a/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild b/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
index 255810902b42..29c88f0d70a6 100644
--- a/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2018.8-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -147,7 +147,7 @@ src_configure() {
cuda=( "-DGMX_GPU=ON" )
local opencl=( "-DGMX_USE_OPENCL=OFF" )
use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -162,7 +162,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
index bf9f493d1163..7f9f30390239 100644
--- a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -158,7 +158,7 @@ src_configure() {
cuda=( "-DGMX_GPU=ON" )
local opencl=( "-DGMX_USE_OPENCL=OFF" )
use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -174,7 +174,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild b/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
index ea9f998593a4..ceafc20dcc7c 100644
--- a/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2019.6-r2.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -160,7 +160,7 @@ src_configure() {
cuda=( "-DGMX_GPU=ON" )
local opencl=( "-DGMX_USE_OPENCL=OFF" )
use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -176,7 +176,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
index a1a975ee8107..4dba54bef4ab 100644
--- a/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.4-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
@@ -231,7 +231,7 @@ src_configure() {
cuda=( "-DGMX_GPU=ON" )
local opencl=( "-DGMX_USE_OPENCL=OFF" )
use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -249,7 +249,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2020.7.ebuild b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
index afbf991e279f..7e8fc98af66e 100644
--- a/sci-chemistry/gromacs/gromacs-2020.7.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2020.7.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -231,7 +231,7 @@ src_configure() {
cuda=( "-DGMX_GPU=ON" )
local opencl=( "-DGMX_USE_OPENCL=OFF" )
use opencl && opencl=( "-DGMX_USE_OPENCL=ON" ) cuda=( "-DGMX_GPU=ON" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -249,7 +249,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
index f55212f3bdc7..fb8e9270106c 100644
--- a/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.3-r1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -237,7 +237,7 @@ src_configure() {
local gpu=( "-DGMX_GPU=OFF" )
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -254,7 +254,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2021.5.ebuild b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
index 0a8e8fdc1642..61808242def9 100644
--- a/sci-chemistry/gromacs/gromacs-2021.5.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.5.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -237,7 +237,7 @@ src_configure() {
local gpu=( "-DGMX_GPU=OFF" )
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -254,7 +254,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2021.6.ebuild b/sci-chemistry/gromacs/gromacs-2021.6.ebuild
index 0614696b9b09..4c4b095e5f91 100644
--- a/sci-chemistry/gromacs/gromacs-2021.6.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.6.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -237,7 +237,7 @@ src_configure() {
local gpu=( "-DGMX_GPU=OFF" )
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -254,7 +254,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index 31f880174588..ece941e30ed3 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -235,7 +235,7 @@ src_configure() {
local gpu=( "-DGMX_GPU=OFF" )
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=OFF
-DGMX_THREAD_MPI=$(usex threads)
@@ -252,7 +252,7 @@ src_configure() {
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=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_THREAD_MPI=OFF
-DGMX_MPI=ON
diff --git a/sci-chemistry/gromacs/gromacs-2022.3.ebuild b/sci-chemistry/gromacs/gromacs-2022.3.ebuild
index d0f55aca4bc1..306bd72ec9bb 100644
--- a/sci-chemistry/gromacs/gromacs-2022.3.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.3.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -245,7 +245,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)
diff --git a/sci-chemistry/gromacs/gromacs-2022.4.ebuild b/sci-chemistry/gromacs/gromacs-2022.4.ebuild
index 72ac3b19bbcd..15a7139387d8 100644
--- a/sci-chemistry/gromacs/gromacs-2022.4.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.4.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -245,7 +245,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)
diff --git a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
index 72ac3b19bbcd..15a7139387d8 100644
--- a/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2022.9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -245,7 +245,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)
diff --git a/sci-chemistry/gromacs/gromacs-2023.9999.ebuild b/sci-chemistry/gromacs/gromacs-2023.9999.ebuild
index f2f127f13d21..df489bdf84db 100644
--- a/sci-chemistry/gromacs/gromacs-2023.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2023.9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -243,7 +243,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)
diff --git a/sci-chemistry/gromacs/gromacs-2023_rc1.ebuild b/sci-chemistry/gromacs/gromacs-2023_rc1.ebuild
index f2f127f13d21..df489bdf84db 100644
--- a/sci-chemistry/gromacs/gromacs-2023_rc1.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2023_rc1.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -243,7 +243,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index f2f127f13d21..df489bdf84db 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -1,4 +1,4 @@
-# Copyright 1999-2022 Gentoo Authors
+# Copyright 1999-2023 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=8
@@ -243,7 +243,7 @@ src_configure() {
[[ ${x} = "float" ]] && use cuda && gpu=( "-DGMX_GPU=CUDA" )
[[ ${x} = "float" ]] && use clang-cuda && gpu=( "-DGMX_GPU=CUDA" "-DGMX_CLANG_CUDA=ON" )
use opencl && gpu=( "-DGMX_GPU=OPENCL" )
- mycmakeargs=(
+ local mycmakeargs=(
${mycmakeargs_pre[@]} ${p}
-DGMX_MPI=$(usex mpi)
-DGMX_THREAD_MPI=$(usex threads)