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new file: b/BerkeleyGW/BerkeleyGW-2.1.0-intel-2020b-Python-3.8.6.eb new file: b/BerkeleyGW/BerkeleyGW-2.1.0_missing_file.patch new file: b/BerkeleyGW/BerkeleyGW-2.1.0_tests.patch new file: d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6.eb new file: d/DFTB+/config.cmake-MANUAL-INSTALATION.patch new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-10.2.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2_fix-extras-syntax.patch new file: e/ELPA/ELPA-2019.11.001-intel-2020b.eb new file: h/HDF5/HDF5-1.10.6-iimpi-2020b.eb new file: h/h5py/h5py-2.10.0-intel-2020b-Python-3.8.6.eb new file: h/hypothesis/hypothesis-6.13.1-GCC-10.2.0.eb new file: i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb new file: i/intel-compilers/intel-compilers-2021.2.0.eb new file: n/Newton-X/Newton-X-2.2-B09-intel-2020b.eb new file: n/Newton-X/newton-x-2.2.patch new file: p/pkgconfig/pkgconfig-1.5.1-GCCcore-10.2.0-python.eb new file: p/pybind11/pybind11-2.4.3-GCC-10.2.0-Python-3.8.6.eb new file: p/pybind11/pybind11-2.6.0-GCC-10.2.0-Python-3.8.6.eb new file: s/Schrodinger/Schrodinger_2021-2_Linux-x86_64.eb new file: s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020b-Python-3.8.6.eb new file: s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
43 lines
1.5 KiB
Diff
43 lines
1.5 KiB
Diff
* enable parallel tests
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* allow test scripts to inherit environment
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* slightly raise tolerance in one test
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author: Miguel Dias Costa (National University of Singapore)
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--- Makefile.orig 2019-07-23 17:40:16.489733901 +0800
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+++ Makefile 2019-07-23 17:40:33.656497133 +0800
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@@ -157,7 +157,7 @@
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endif
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check: all
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- cd testsuite && $(MAKE) check
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+ cd testsuite && $(MAKE) check && $(MAKE) check-parallel
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check-save: all
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cd testsuite && $(MAKE) check-save
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--- testsuite/run_testsuite.sh.orig 2019-07-25 14:48:12.000000000 +0800
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+++ testsuite/run_testsuite.sh 2019-07-25 14:47:50.000000000 +0800
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@@ -1,4 +1,4 @@
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-#!/bin/bash -l
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+#!/bin/bash
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#
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# Copyright (C) 2005-2009 Heiko Appel, David Strubbe
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#
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--- MeanField/Utilities/mf_convert_wrapper.sh.orig 2019-07-26 09:52:27.648341000 +0800
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+++ MeanField/Utilities/mf_convert_wrapper.sh 2019-07-26 09:52:39.922114228 +0800
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@@ -1,4 +1,4 @@
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-#!/bin/bash -l
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+#!/bin/bash
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# David Strubbe, October 2010
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# Wrapper for mf_convert.x
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--- testsuite/GaAs-EPM/GaAs.test.orig 2019-07-26 10:45:19.798520000 +0800
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+++ testsuite/GaAs-EPM/GaAs.test 2019-07-26 10:45:37.753775275 +0800
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@@ -32,7 +32,7 @@
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Output : WFN.out
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Input : WFN.in PIPE
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-Precision : 8e-15
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+Precision : 9e-15
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match ; Eigenvalue 1 at k-pt 1 ; GREP(WFN.out, "kpoint 1", 2, 1); -0.2710614199849328
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match ; Eigenvalue 10 at k-pt 1 ; GREP(WFN.out, "kpoint 1", 2, 10); 1.2565373697755460
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match ; Eigenvalue 18 at k-pt 2 ; GREP(WFN.out, "kpoint 2", 2, 18); 2.1322637363008994
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