summaryrefslogtreecommitdiff
path: root/sci-chemistry/gromacs
diff options
context:
space:
mode:
authorV3n3RiX <venerix@koprulu.sector>2021-10-20 10:22:14 +0100
committerV3n3RiX <venerix@koprulu.sector>2021-10-20 10:22:14 +0100
commit46eedbedafdb0040c37884982d4c775ce277fb7b (patch)
treedb33a91259730be84999e13a8d8168c799f50ac0 /sci-chemistry/gromacs
parente23a08d0c97a0cc415aaa165da840b056f93c997 (diff)
gentoo resync : 20.10.2021
Diffstat (limited to 'sci-chemistry/gromacs')
-rw-r--r--sci-chemistry/gromacs/Manifest6
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.3.ebuild15
-rw-r--r--sci-chemistry/gromacs/gromacs-2021.9999.ebuild15
-rw-r--r--sci-chemistry/gromacs/gromacs-9999.ebuild15
4 files changed, 27 insertions, 24 deletions
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 11c5547a7590..ceeb952dad3e 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -23,7 +23,7 @@ EBUILD gromacs-2019.6.ebuild 7264 BLAKE2B 6196f750a81562c82f1004ba3e4be05193aa91
EBUILD gromacs-2020.4.ebuild 10134 BLAKE2B efc77b2cb0981ebf3f90fbe531d54020be2e82b464dace3ab8d07d41cae060c5e073a8a3f641b4bb0431ec2717a5f990a2a6f08ceed6a805bde82742b9eba487 SHA512 f7af8d31c43abe23b9c92ce6afd0dbea4219fe48dad3d91bf19f50f80a520cb0ab98949d4f2653679de751853755e793fd0e84ad73ebf13bef17fc255d693001
EBUILD gromacs-2020.6.ebuild 10137 BLAKE2B e5f058493f7757ffcff53c892445a3ea2dd15ebb83bbd7fd186a56d85e785be75277e8329487a182d27e23f7756b02618c227ef40c2aaf0243f2a1fbeda232c6 SHA512 37df9d310ab597ce4bb69bd3d77ec20d4b6e0b825b341e5fe78b139164fd02a43b5e3d012530fd9a62500d4a63d2efa05fcbc1219ef5edcb93bf232d563af821
EBUILD gromacs-2021.2.ebuild 10361 BLAKE2B 925ad220aa14d1e0ec8ad0bc2a1b5f887c2dc7e3e419ef54b009026fa8dd251ef91821acd82e12a3126a065d709dde9a9df14f026323373d0b2909b750795b50 SHA512 15e159486ff136633fc6de6f32a5efd14b7d7276197db7bd0e83dfdf8c57ecc2374c8021783726de9b0d99512ccb8f0980506ceb53cdaaee1cecd847a699caf0
-EBUILD gromacs-2021.3.ebuild 10269 BLAKE2B 90f318b96a6a5a4ce24753d6ea610dabe2cbd59670db5f4ee61c9d9b282fd79e6db0d2e758834fdb563c8c3b27876f63c619306f8c25a669ac9fa8153d71b0fc SHA512 7eaeff9d5468e3c51d7277b18588250aedae6c5c023793c91f0d9583608c85ee11da6278e293a0597d29ea408b7a86d17448c118f7f52c6b575be9ec137b4d5a
-EBUILD gromacs-2021.9999.ebuild 10271 BLAKE2B 59d6173d1c82cfa1c084528edf2e9cf9bab8e6eefb5e3cc7c05fc43654c7be9463a24cd62a8c764afcddb9fe29fad2643cf60222608f0cdbe72eedd6c41337f2 SHA512 8434cfaf918264c8ad1e0c87f2876c6531a70d330c1205378ac65f537a562e2a72208cffca41bc85773ff1f2eb73653a4c5b1cb992f007c03bab125aa13ae4f6
-EBUILD gromacs-9999.ebuild 10271 BLAKE2B 59d6173d1c82cfa1c084528edf2e9cf9bab8e6eefb5e3cc7c05fc43654c7be9463a24cd62a8c764afcddb9fe29fad2643cf60222608f0cdbe72eedd6c41337f2 SHA512 8434cfaf918264c8ad1e0c87f2876c6531a70d330c1205378ac65f537a562e2a72208cffca41bc85773ff1f2eb73653a4c5b1cb992f007c03bab125aa13ae4f6
+EBUILD gromacs-2021.3.ebuild 10288 BLAKE2B 051f7c792d1138cbf14b0c2986d51216650e852ff72e99eaba599710f0b101345c83cb3a513c0a4949fb402ed0ff19f6ff7459134e521107741e6fa122691365 SHA512 a8612408e6beae5bde8d13749086721696c2a3d7620e5fd259d35bc17b3e843031ac682394fcdad37898fcaf77492a2dc7f0fc6de9426aad31849ff03c5f57de
+EBUILD gromacs-2021.9999.ebuild 10290 BLAKE2B 5253608d15b6230ef26d8d795367efe86223c15731470893232abd9f2c657774f1fc63ed884450402344c692cf31f441b72aa34fee703089f0fab218f430c2e3 SHA512 10a06dab21f41a9866fd7871251009a93f02e1510ba297c2434c14b237be01744aeca7e3163667b74c992b4c485c50219212aed7979672ae61917025fd187e1b
+EBUILD gromacs-9999.ebuild 10290 BLAKE2B 5253608d15b6230ef26d8d795367efe86223c15731470893232abd9f2c657774f1fc63ed884450402344c692cf31f441b72aa34fee703089f0fab218f430c2e3 SHA512 10a06dab21f41a9866fd7871251009a93f02e1510ba297c2434c14b237be01744aeca7e3163667b74c992b4c485c50219212aed7979672ae61917025fd187e1b
MISC metadata.xml 1224 BLAKE2B dc6de7f135e5cbd7bdb94bc630d3c7344f5f5387305ada4f3f0fd3f027f9fa4e2c5e44120c8eab8e983fcda314680ac3d140ab61873ab21b839f912a52b21dde SHA512 d036cffac5fd3c4b8d26efdee0f4b4db8d3520f771754a0859f8e99f64d558795b6cab1efba1d4f1700027707a05a724ae96a7e257434d3894ef5fa6eed7ccba
diff --git a/sci-chemistry/gromacs/gromacs-2021.3.ebuild b/sci-chemistry/gromacs/gromacs-2021.3.ebuild
index e77091aa53d1..12b437ed37ee 100644
--- a/sci-chemistry/gromacs/gromacs-2021.3.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.3.ebuild
@@ -161,17 +161,18 @@ src_prepare() {
src_configure() {
local mycmakeargs_pre=( ) extra fft_opts=( )
+ local acce="AUTO"
if use custom-cflags; then
#go from slowest to fastest acceleration
- local acce="None"
+ acce="None"
if (use amd64 || use x86); then
- 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"
- use cpu_flags_x86_avx512f && acce="AVX_512"
+ 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"
+ use cpu_flags_x86_avx512f && acce="AVX_512"
elif (use arm); then
use cpu_flags_arm_neon && acce="ARM_NEON"
elif (use arm64); then
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
index ebd3a798340c..ac7420b81358 100644
--- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild
@@ -161,17 +161,18 @@ src_prepare() {
src_configure() {
local mycmakeargs_pre=( ) extra fft_opts=( )
+ local acce="AUTO"
if use custom-cflags; then
#go from slowest to fastest acceleration
- local acce="None"
+ acce="None"
if (use amd64 || use x86); then
- 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"
- use cpu_flags_x86_avx512f && acce="AVX_512"
+ 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"
+ use cpu_flags_x86_avx512f && acce="AVX_512"
elif (use arm); then
use cpu_flags_arm_neon && acce="ARM_NEON"
elif (use arm64); then
diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild
index ebd3a798340c..ac7420b81358 100644
--- a/sci-chemistry/gromacs/gromacs-9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-9999.ebuild
@@ -161,17 +161,18 @@ src_prepare() {
src_configure() {
local mycmakeargs_pre=( ) extra fft_opts=( )
+ local acce="AUTO"
if use custom-cflags; then
#go from slowest to fastest acceleration
- local acce="None"
+ acce="None"
if (use amd64 || use x86); then
- 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"
- use cpu_flags_x86_avx512f && acce="AVX_512"
+ 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"
+ use cpu_flags_x86_avx512f && acce="AVX_512"
elif (use arm); then
use cpu_flags_arm_neon && acce="ARM_NEON"
elif (use arm64); then