| 1 |
commit: 81290a698ba3c3fdd387a0d38b654613e9f30440 |
| 2 |
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 3 |
AuthorDate: Wed Oct 2 12:33:45 2019 +0000 |
| 4 |
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org> |
| 5 |
CommitDate: Wed Oct 2 12:34:34 2019 +0000 |
| 6 |
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=81290a69 |
| 7 |
|
| 8 |
sci-chemistry/gromacs: Version bump |
| 9 |
|
| 10 |
Package-Manager: Portage-2.3.76, Repoman-2.3.16 |
| 11 |
Signed-off-by: Alexey Shvetsov <alexxy <AT> gentoo.org> |
| 12 |
|
| 13 |
sci-chemistry/gromacs/Manifest | 2 ++ |
| 14 |
sci-chemistry/gromacs/gromacs-2019.3.ebuild | 4 +++- |
| 15 |
.../gromacs/{gromacs-2019.3.ebuild => gromacs-2019.4.ebuild} | 8 +++++--- |
| 16 |
3 files changed, 10 insertions(+), 4 deletions(-) |
| 17 |
|
| 18 |
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest |
| 19 |
index 5c5fd361564..43ad2677e51 100644 |
| 20 |
--- a/sci-chemistry/gromacs/Manifest |
| 21 |
+++ b/sci-chemistry/gromacs/Manifest |
| 22 |
@@ -1,6 +1,8 @@ |
| 23 |
DIST gromacs-2018.7.tar.gz 29912662 BLAKE2B 0714b28ec2443f3201275fc2fa6db1202a059161362134d4de03a900a3a67fe9d31ba8c058d5ee971198fecd69379fcd389f03d25c61f50b8460c43ba5c564d5 SHA512 fbc3b847b70b1396f412b8f4a1b977268651f8d53a222dcf6349fe563ff6319e096484209a24351e382bc9162a949b3900591f5b469c32dd9effeb894f03c172 |
| 24 |
DIST gromacs-2019.2.tar.gz 33437869 BLAKE2B bebe4942688dace148856d4491b687b8e0fd2c86d7fbd9eecdb46824d316a0fc3854464ecafa79d8db92327ee8467be204b050c11f1e71132184efd812c3bf09 SHA512 da7ff24e8485774e22d1c2464fbe64675c3305ef0e21a3d17e363201031952e5d4a9b81f572d5284fb6f2596ed99daf62fe78d653387d9d714274f46bc750183 |
| 25 |
DIST gromacs-2019.3.tar.gz 33441419 BLAKE2B 79319dd23982c65c7c4d8e5f633cef0c7fd99a38a4e0cc9030a3ffb0fdfc07a4fbfbcfa942896f23a143b747e044fae645498a3e6992497d1f1a7d966f80b2b0 SHA512 de9f54d095b45ea7efd1043f83a40f6c778a6e3e2067a01f48d1ce843d68d226061933ca28a3edb635b795a8ddd5ef9deb8ed1114aa3235bc8039db8ff7d0218 |
| 26 |
+DIST gromacs-2019.4.tar.gz 33444527 BLAKE2B 5a01ed0e38faade037de701b72e8d52fd5a947a23228f0b5170a170dc963b00068a6b6880dd9a3f6f2a73140a3787952741dcbcc862bc357a8be8bf5640faa16 SHA512 adc6dea187b7f3a3c13fcd39445ae45248d46d56b0102fda47b1850b83ff1fb77a3fec99d4a4124b01ed04646dab6ab67749eae1bec36d1ba6f2205855cd29f8 |
| 27 |
DIST regressiontests-2018.7.tar.gz 67856738 BLAKE2B 955ae8b5e74f90fec704cf41fbd00bd8c09d754f950551fe0adfcd407db6fdb4491a3815149ea37d36c747316c79d462e823b9f6b26f2376bf90d87aad95731b SHA512 c2ff390750bd99faebcd8d5dd8ad6dbf2b00113ed888bddddf985dbf95d7f347093adb67f3c396547b3e2990de330fddb7efe83ded91a72cf97c82a1dac7e826 |
| 28 |
DIST regressiontests-2019.2.tar.gz 67643003 BLAKE2B 4178de5d62f194a81f97e442c10f123dc59c5e63f2078f7f07135709f3f6e530e0d237bf40264b285c084519d5ace75dfcbcddc16dc740c4f17233dc33542e45 SHA512 c1f25bc770d3f0a873c887d5563c1cd88179e81211b70ce6f5015696e6fa0b6931a8da7a449f2b223f3105b9e2e7eca67248e96fbfc2a7fd5fb360ba616f22ff |
| 29 |
DIST regressiontests-2019.3.tar.gz 67640462 BLAKE2B ed6c176a144e0407be66585be5d6090c31c047498bc5f48f59685108de91f2f9ddb2d22b291a15e6ffa1db848aae19b94a79c8c3d34b1067680f759a179953dd SHA512 822e905fb488ce308eb9324d93f78106da5252c773c7941d49c6162e73bdff109aeca1f0d57216c6dd6536a4c41d80013fa1cee2f5206b0c4160a3e5b4a31315 |
| 30 |
+DIST regressiontests-2019.4.tar.gz 67639728 BLAKE2B aba912863669a4a6a6a74e385f9b0974d0c0aa30d3aea7834d77c8bb3f4f59effcbe10a480e74e7aa31fe32d64ba6628d67703ca1894839ce7ddfc8da93902dc SHA512 45de03d368da4e6e5c647f3fea61d64defe6d1cbc1c4219eeac2db27559e3cea7f15f9acb3e56ab934b44ca3ae4ce199b4e4969f704776bb9f0b23f1a34ff56d |
| 31 |
|
| 32 |
diff --git a/sci-chemistry/gromacs/gromacs-2019.3.ebuild b/sci-chemistry/gromacs/gromacs-2019.3.ebuild |
| 33 |
index f91506d7e52..67a1967e581 100644 |
| 34 |
--- a/sci-chemistry/gromacs/gromacs-2019.3.ebuild |
| 35 |
+++ b/sci-chemistry/gromacs/gromacs-2019.3.ebuild |
| 36 |
@@ -233,9 +233,11 @@ src_configure() { |
| 37 |
mycmakeargs=( |
| 38 |
${mycmakeargs_pre[@]} ${p} |
| 39 |
-DGMX_THREAD_MPI=OFF |
| 40 |
- -DGMX_MPI=ON ${cuda} |
| 41 |
+ -DGMX_MPI=ON |
| 42 |
-DGMX_OPENMM=OFF |
| 43 |
-DGMXAPI=OFF |
| 44 |
+ "${opencl[@]}" |
| 45 |
+ "${cuda[@]}" |
| 46 |
-DGMX_BUILD_MDRUN_ONLY=ON |
| 47 |
-DBUILD_SHARED_LIBS=OFF |
| 48 |
-DGMX_BUILD_MANUAL=OFF |
| 49 |
|
| 50 |
diff --git a/sci-chemistry/gromacs/gromacs-2019.3.ebuild b/sci-chemistry/gromacs/gromacs-2019.4.ebuild |
| 51 |
similarity index 99% |
| 52 |
copy from sci-chemistry/gromacs/gromacs-2019.3.ebuild |
| 53 |
copy to sci-chemistry/gromacs/gromacs-2019.4.ebuild |
| 54 |
index f91506d7e52..826b0c785a4 100644 |
| 55 |
--- a/sci-chemistry/gromacs/gromacs-2019.3.ebuild |
| 56 |
+++ b/sci-chemistry/gromacs/gromacs-2019.4.ebuild |
| 57 |
@@ -1,7 +1,7 @@ |
| 58 |
# Copyright 1999-2019 Gentoo Authors |
| 59 |
# Distributed under the terms of the GNU General Public License v2 |
| 60 |
|
| 61 |
-EAPI=6 |
| 62 |
+EAPI=7 |
| 63 |
|
| 64 |
CMAKE_MAKEFILE_GENERATOR="ninja" |
| 65 |
|
| 66 |
@@ -51,7 +51,7 @@ CDEPEND=" |
| 67 |
mpi? ( virtual/mpi ) |
| 68 |
${PYTHON_DEPS} |
| 69 |
" |
| 70 |
-DEPEND="${CDEPEND} |
| 71 |
+BDEPEND="${CDEPEND} |
| 72 |
virtual/pkgconfig |
| 73 |
doc? ( |
| 74 |
app-doc/doxygen |
| 75 |
@@ -233,9 +233,11 @@ src_configure() { |
| 76 |
mycmakeargs=( |
| 77 |
${mycmakeargs_pre[@]} ${p} |
| 78 |
-DGMX_THREAD_MPI=OFF |
| 79 |
- -DGMX_MPI=ON ${cuda} |
| 80 |
+ -DGMX_MPI=ON |
| 81 |
-DGMX_OPENMM=OFF |
| 82 |
-DGMXAPI=OFF |
| 83 |
+ "${opencl[@]}" |
| 84 |
+ "${cuda[@]}" |
| 85 |
-DGMX_BUILD_MDRUN_ONLY=ON |
| 86 |
-DBUILD_SHARED_LIBS=OFF |
| 87 |
-DGMX_BUILD_MANUAL=OFF |
Archives