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commit: 243e204391a21eb4520f069be98359de9ecac556 |
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Author: Andrew Savchenko <bircoph <AT> gentoo <DOT> org> |
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AuthorDate: Wed Oct 24 22:27:27 2018 +0000 |
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Commit: Andrew Savchenko <bircoph <AT> gentoo <DOT> org> |
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CommitDate: Wed Oct 24 22:27:27 2018 +0000 |
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URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=243e2043 |
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|
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sci-chemistry/gamess: add memory check for USE=msucc |
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|
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Signed-off-by: Andrew Savchenko <bircoph <AT> gentoo.org> |
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Package-Manager: Portage-2.3.51, Repoman-2.3.11 |
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|
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sci-chemistry/gamess/gamess-20180930.3.ebuild | 14 +++++++++++++- |
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sci-chemistry/gamess/metadata.xml | 2 +- |
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2 files changed, 14 insertions(+), 2 deletions(-) |
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|
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diff --git a/sci-chemistry/gamess/gamess-20180930.3.ebuild b/sci-chemistry/gamess/gamess-20180930.3.ebuild |
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index ce3b8eba8..fe96a626b 100644 |
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--- a/sci-chemistry/gamess/gamess-20180930.3.ebuild |
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+++ b/sci-chemistry/gamess/gamess-20180930.3.ebuild |
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@@ -3,7 +3,7 @@ |
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|
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EAPI=6 |
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|
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-inherit fortran-2 flag-o-matic pax-utils toolchain-funcs |
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+inherit check-reqs fortran-2 flag-o-matic pax-utils toolchain-funcs |
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|
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DESCRIPTION="A powerful quantum chemistry package" |
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HOMEPAGE="http://www.msg.chem.iastate.edu/GAMESS/GAMESS.html" |
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@@ -40,6 +40,17 @@ RESTRICT="fetch" |
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GAMESS_DOWNLOAD="http://www.msg.ameslab.gov/GAMESS/License_Agreement.html" |
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GAMESS_VERSION="September 30, 2018 R3" |
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|
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+pre_build_checks() { |
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+ if use msucc; then |
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+ CHECKREQS_MEMORY=6G |
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+ check-reqs_pkg_setup |
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+ fi |
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+} |
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+ |
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+pkg_pretend() { |
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+ pre_build_checks |
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+} |
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+ |
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pkg_nofetch() { |
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echo |
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elog "Please download ${PN}-current.tar.gz from" |
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@@ -66,6 +77,7 @@ get_fcomp() { |
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} |
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|
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pkg_setup() { |
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+ pre_build_checks |
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fortran-2_pkg_setup |
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get_fcomp |
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# currently amd64 is only supported with gfortran |
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|
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diff --git a/sci-chemistry/gamess/metadata.xml b/sci-chemistry/gamess/metadata.xml |
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index 7c7fbea32..7f7e33d86 100644 |
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--- a/sci-chemistry/gamess/metadata.xml |
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+++ b/sci-chemistry/gamess/metadata.xml |
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@@ -11,7 +11,7 @@ |
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</maintainer> |
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<use> |
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<flag name="msucc">Build Michigan State University CCT3 and CCSD3A methods. |
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- This will increase build time and memory requirements by multiple times</flag> |
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+ This will increase build time and memory requirements by ~10 times</flag> |
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<flag name="neo">Enable NEO for nuclear basis support</flag> |
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<flag name="pax_kernel">Make this package work on PAX kernels</flag> |
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<flag name="qmmm-tinker">Enable tinker qmmm code</flag> |
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